NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4431 8.4449 116.7659 55.0725 31.5068 175.3704 3 L 4.1952 8.4112 119.8924 53.9979 42.3018 176.4883 4 T 4.4292 9.3608 115.8250 60.4572 72.6140 175.9002 5 A 3.9210 8.2991 122.5115 55.2900 18.3646 179.6178 6 L 3.9250 7.9823 117.0293 58.1066 41.6297 179.1949 7 D 4.4530 8.3841 118.7816 57.6195 40.6410 179.2109 8 K 3.6796 7.5829 117.1293 59.3336 32.0705 179.1621 9 L 4.0504 7.7351 118.3867 57.7183 41.7452 178.8451 10 E 4.0954 8.3155 119.4387 59.0783 29.0308 179.3587 11 I 3.6824 7.2989 116.5900 62.0910 36.8729 177.5979 *13 E 4.0171 8.1904 121.8738 56.3727 31.6360 178.2289 14 L 3.8907 7.6412 118.5670 57.6801 41.5303 179.2874 15 A 3.8688 7.4361 119.9834 55.0778 18.1111 179.4849 16 A 3.9715 7.8765 117.4174 55.4160 18.5988 179.6064 17 R 4.0447 8.2924 115.6494 59.2753 30.4781 178.5876 18 F 4.2851 8.5099 120.7401 61.5105 39.3281 178.1533 19 E 4.3141 8.5858 115.5475 57.2238 29.0498 179.0467 *21 S 4.4578 8.0459 117.6480 58.6754 65.2933 176.0283 22 L 3.7719 8.2123 121.8537 58.2260 41.9533 178.8310 23 D 4.3405 8.0688 117.0067 57.1462 40.7686 177.7306 24 K 4.0764 8.0273 117.8499 56.8011 32.5396 176.0009 25 E 3.7248 7.7243 116.7093 58.2694 27.2927 175.4584 26 D 4.7400 8.2476 120.3220 52.7348 40.4724 175.5167 27 V 2.1450 7.8104 126.3249 63.9166 31.6489 178.1005 28 E 3.9153 7.9896 118.7261 59.2922 29.1972 178.9003 29 N 4.4307 8.1884 115.4461 55.9907 38.8690 176.7368 30 Y 4.1242 7.8627 121.2337 60.8003 38.9520 178.0958 31 L 4.0903 8.3503 120.0643 57.7249 41.4739 179.3376 32 A 4.2143 7.8391 119.8260 54.9141 18.5719 179.2583 33 T 3.9209 8.0177 107.9723 62.8233 69.0410 174.2017 34 F 5.1090 7.5663 120.2251 55.3610 40.9735 175.5939 35 A 3.9640 8.6928 127.3885 51.5860 18.9642 178.7946 36 S 4.0813 8.5579 114.3350 60.9228 62.8651 175.6473 37 D 4.8316 7.8759 118.2967 52.7433 39.6575 176.4439 38 G 4.1866 8.0994 107.1843 47.1084 0.0000 173.0799 39 A 5.3157 9.1303 121.2560 49.9150 23.3015 174.8371 40 L 5.3139 8.8924 122.4777 53.3150 45.1806 174.9537 41 Q 4.9280 9.5270 127.5863 54.4948 32.4843 174.5196 42 G 2.5322 7.8705 112.1147 45.1105 0.0000 172.9409 43 F 4.2644 7.9402 113.9976 59.2811 37.8174 176.7337 44 W 4.1869 6.4189 117.3192 57.8832 28.5889 176.0554 45 G 3.6611 5.6513 105.4724 44.1724 0.0000 171.3189 46 I 5.0638 7.9907 120.0584 59.0669 41.3040 175.8002 47 A 4.9693 8.9974 130.0138 49.9868 21.5943 174.8083 48 K 4.7627 9.6482 124.6217 55.7191 34.7879 177.1908 49 G 4.1664 9.2163 111.9200 45.6294 0.0000 174.5001 50 K 3.9374 8.3276 118.2274 59.1229 32.0306 179.7518 51 E 3.9919 8.0704 118.6974 59.3452 29.4289 178.9538 52 E 4.0309 8.0797 118.2303 59.3479 29.6018 179.1980 53 L 3.9818 8.1153 119.2612 57.5501 41.0710 179.5668 54 R 3.7398 8.2861 119.0556 59.4158 30.1085 178.3032 55 Q 4.2222 8.2411 119.5009 59.3173 28.8475 178.4928 56 G 3.6481 8.2452 105.8557 47.5699 0.0000 175.0181 57 F 3.7872 7.9346 122.0390 61.4393 39.5557 176.6658 58 Y 4.1728 7.4684 115.1165 60.6423 37.0506 178.3604 59 A 3.9699 7.8615 117.9092 53.2016 18.0898 178.9118 *61 L 3.8209 7.7638 120.9507 56.0550 43.3995 178.4626 62 D 4.4299 8.1652 117.1593 56.2846 41.0180 177.1295 63 T 4.4992 7.2017 107.4715 62.6038 70.2691 175.2275 64 F 4.8853 7.2150 110.8802 56.4572 41.5228 174.4222 65 A 4.3294 7.0004 122.4404 52.2332 19.3352 177.1601 66 R 3.9432 7.5279 116.1658 56.8672 30.9257 175.9179 67 G 3.8362 8.7961 110.6396 46.2903 0.0000 172.6577 68 K 5.1841 7.9092 117.2567 54.1958 36.4011 175.3725 69 R 4.7861 9.0108 119.8985 55.0079 32.7655 175.0538 70 H 5.1930 9.4599 122.2725 54.6170 30.0626 174.1255 71 C 4.9069 9.3458 122.1707 57.9210 30.8336 173.2070 72 S 5.2824 8.6554 118.0362 57.3451 63.8000 172.8045 73 S 4.5045 8.9922 119.3496 57.2453 67.0089 173.1911 74 N 4.1815 8.7189 113.7945 53.9805 35.6954 174.7919 75 A 4.2794 8.0278 119.2127 52.1928 19.1559 178.0027 76 I 4.5247 8.7069 123.7927 59.4163 40.1902 175.2582 77 I 4.7705 8.3486 126.5743 59.5761 40.2247 174.8211 78 Q 4.5903 9.8571 124.9807 53.4576 32.6873 176.3302 79 G 3.7077 7.4587 107.4925 46.0004 0.0000 169.2095 80 N 5.3278 8.0057 117.6946 51.2345 40.0523 173.9272 81 Y 4.4210 9.2810 114.7620 60.1982 38.0487 176.3097 82 D 4.3080 7.2988 116.4065 53.9305 43.2626 176.2841 83 E 5.3760 9.0291 117.1544 54.9550 34.1637 179.7151 84 A 5.2497 9.1703 125.0221 50.2345 23.8709 174.5506 85 T 5.5476 8.5038 108.5318 59.0075 72.8074 172.4117 *87 E 4.5140 8.5609 118.9486 56.8889 31.2809 175.4109 88 S 4.7984 8.0970 116.4259 58.1802 67.2226 172.7063 89 Y 5.4552 8.8694 117.7831 56.2705 40.8250 174.9044 90 L 5.4404 9.1274 124.8297 53.5046 45.1814 175.2033 91 T 5.0360 9.0486 116.1978 59.8666 72.2050 173.0384 92 V 4.9311 8.7369 122.9379 61.4189 35.0292 174.6489 93 V 4.8667 8.5542 119.3708 59.5235 36.2865 174.3396 94 N 4.9147 8.5859 119.8945 53.2325 38.7490 176.0560 95 R 4.2417 8.9046 121.7526 58.0233 30.6435 177.4346 96 E 4.4083 8.3324 116.1737 56.4974 30.3779 174.5281 97 D 4.6953 7.5264 116.5365 52.5166 42.2434 174.3004 98 L 4.5348 8.3137 116.3598 55.1500 41.9402 176.5703 99 N 4.9431 8.2877 116.3867 52.0599 40.7529 175.1883 100 R 4.5438 8.4788 119.6775 56.2466 30.8750 176.0576 101 A 4.5846 10.2617 121.3905 50.8938 21.7382 177.0310 102 G 3.9815 7.1622 101.8303 45.6659 0.0000 170.5863 103 S 5.1510 7.6853 112.6070 57.8931 66.5577 172.7110 104 A 4.9355 9.1354 120.7737 51.2198 23.2007 174.7884 105 F 5.1943 8.9389 121.9906 56.8081 41.5996 174.8289 106 V 4.7416 7.8913 125.3791 60.7790 34.7726 173.8829 107 K 4.7247 8.9238 128.4460 54.6492 35.1486 174.2211 108 D 5.4305 8.6157 126.4992 52.5902 44.5041 174.6733 109 Q 5.0223 9.2961 122.1378 54.4402 31.1292 175.2325 110 V 5.1288 8.8672 116.4377 59.8059 36.4235 174.5468 111 R 5.0599 9.1426 121.5507 54.8654 34.0478 173.7163 112 K 3.9508 7.9706 127.5642 54.8773 33.0193 175.8815 113 I 4.2849 8.6764 129.3350 60.4624 39.6131 175.8006 114 N 4.3955 9.8072 124.6727 54.4306 35.9164 175.2784 115 G 3.8681 8.2103 102.2571 45.4468 0.0000 173.0943 116 K 4.6593 7.6049 119.9836 54.0394 35.7175 175.2790 117 W 4.8941 9.0700 126.5350 56.5808 30.2115 175.4512 118 Y 4.9987 8.9794 119.8727 56.0766 42.5295 174.5040 119 L 4.3521 9.1244 123.0662 55.2877 42.4269 177.6625 120 I 4.1554 9.1966 125.3032 62.9213 39.2492 175.9020 121 L 5.2026 7.7476 123.7915 53.6676 45.5831 174.2921 122 R 5.0837 9.4259 127.3696 54.6364 32.7350 174.2439 123 Q 5.1094 9.1607 125.5388 54.2111 31.5281 174.3853 124 I 4.5584 8.8347 125.7411 59.7571 39.8439 174.6972 125 E 4.7361 9.4019 128.3765 54.4633 30.2900 175.2037 126 V 4.3886 8.2709 124.0758 62.6297 32.6215 175.2901 127 D 4.8079 9.3036 127.4839 53.1669 41.8382 175.8236 128 P 4.3222 0.0000 0.0000 64.7049 31.3938 177.5957 129 S 4.1653 7.8398 113.1497 59.9661 63.5711 174.1610 130 L 3.9384 7.5313 124.9852 54.6816 42.0746 175.4864 131 P 4.2001 0.0000 0.0000 65.7202 31.3819 177.4636 132 L 4.0454 7.9504 118.0664 57.1266 42.2261 176.5386 133 L 4.1093 7.6080 122.6766 54.8417 41.6206 176.1149 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 E 8.44 4.44 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 3 L 8.41 4.20 0.00 1.71 1.63 0.81 0.60 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 4 T 9.36 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 1.32 0.00 0.00 5 A 8.30 3.92 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 6 L 7.98 3.93 0.00 1.74 1.79 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.38 4.45 0.00 2.91 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 8 K 7.58 3.68 0.00 1.78 1.75 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.54 7.81 9 L 7.74 4.05 0.00 1.73 1.69 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.32 4.10 0.00 2.13 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 2.37 2.37 0.00 11 I 7.30 3.68 1.59 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.63 0.00 0.00 *13 E 8.19 4.02 0.00 2.17 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 2.27 2.48 0.00 14 L 7.64 3.89 0.00 1.72 1.59 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.44 3.87 1.17 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 16 A 7.88 3.97 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 17 R 8.29 4.04 0.00 1.95 2.03 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 18 F 8.51 4.29 0.00 3.03 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 19 E 8.59 4.31 0.00 2.16 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 2.75 2.63 0.00 *21 S 8.05 4.46 0.00 4.25 4.32 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 22 L 8.21 3.77 0.00 1.73 1.80 0.16 0.80 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 23 D 8.07 4.34 0.00 2.76 2.74 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 24 K 8.03 4.08 0.00 2.01 1.87 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.03 7.81 25 E 7.72 3.72 0.00 2.22 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 2.18 2.17 0.00 26 D 8.25 4.74 0.00 2.73 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 27 V 7.81 2.15 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 0.93 0.00 0.00 0.08 0.00 0.00 28 E 7.99 3.92 0.00 1.98 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 2.38 2.34 0.00 29 N 8.19 4.43 0.00 2.87 2.90 0.00 0.00 7.01 7.47 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 30 Y 7.86 4.12 0.00 2.93 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.35 4.09 0.00 1.69 1.73 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.84 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 33 T 8.02 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 1.32 0.00 0.00 34 F 7.57 5.11 0.00 3.23 3.02 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 35 A 8.69 3.96 1.31 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 0.00 0.00 36 S 8.56 4.08 0.00 3.97 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 37 D 7.88 4.83 0.00 2.79 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 38 G 8.10 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 39 A 9.13 5.32 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 40 L 8.89 5.31 0.00 2.04 1.69 1.34 1.14 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 41 Q 9.53 4.93 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.26 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 42 G 7.87 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 0.00 0.00 0.00 43 F 7.94 4.26 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 6.42 4.19 0.00 3.31 3.01 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 45 G 5.65 3.66 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 0.00 0.00 0.00 0.00 46 I 7.99 5.06 1.84 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 1.29 1.17 0.91 0.00 0.00 47 A 9.00 4.97 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 48 K 9.65 4.76 0.00 1.71 1.66 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 49 G 9.22 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 50 K 8.33 3.94 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.51 7.81 51 E 8.07 3.99 0.00 1.98 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 2.39 2.34 0.00 52 E 8.08 4.03 0.00 2.13 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 2.41 2.40 0.00 53 L 8.12 3.98 0.00 1.70 1.60 0.20 0.22 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 54 R 8.29 3.74 0.00 1.99 2.12 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 55 Q 8.24 4.22 0.00 2.20 2.28 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 2.41 2.56 0.00 56 G 8.25 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 0.00 0.00 0.00 57 F 7.93 3.79 0.00 2.45 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.47 4.17 0.00 3.06 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 59 A 7.86 3.97 1.31 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 0.00 0.00 *61 L 7.76 3.82 0.00 1.49 1.51 -0.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.17 4.43 0.00 2.73 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 63 T 7.20 4.50 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 64 F 7.21 4.89 0.00 3.12 3.16 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 65 A 7.00 4.33 0.74 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 66 R 7.53 3.94 0.00 1.72 1.78 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 67 G 8.80 3.84 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 0.00 0.00 0.00 68 K 7.91 5.18 0.00 1.57 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.37 7.81 69 R 9.01 4.79 0.00 1.66 1.83 0.00 3.29 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 70 H 9.46 5.19 0.00 3.08 3.49 0.00 5.80 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 71 C 9.35 4.91 0.00 2.84 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 72 S 8.66 5.28 0.00 3.89 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 73 S 8.99 4.50 0.00 3.92 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 74 N 8.72 4.18 0.00 2.38 2.55 0.00 0.00 6.86 7.35 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 75 A 8.03 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.71 4.52 1.96 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 1.17 0.83 0.92 0.00 0.00 77 I 8.35 4.77 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.75 0.00 0.00 78 Q 9.86 4.59 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 79 G 7.46 3.71 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 0.00 0.00 0.00 80 N 8.01 5.33 0.00 3.03 3.05 0.00 0.00 7.17 8.32 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 81 Y 9.28 4.42 0.00 3.20 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 82 D 7.30 4.31 0.00 1.75 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 0.00 0.00 0.00 0.00 83 E 9.03 5.38 0.00 1.59 1.73 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 2.13 2.12 0.00 84 A 9.17 5.25 1.05 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 85 T 8.50 5.55 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 1.22 0.00 0.00 *87 E 8.56 4.51 0.00 2.03 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 2.49 2.43 0.00 88 S 8.10 4.80 0.00 3.95 3.80 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 89 Y 8.87 5.46 0.00 2.98 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 90 L 9.13 5.44 0.00 1.75 1.55 1.16 0.75 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 91 T 9.05 5.04 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 1.25 0.00 0.00 92 V 8.74 4.93 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 0.85 0.00 0.00 1.00 0.00 0.00 93 V 8.55 4.87 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 0.67 0.00 0.00 0.94 0.00 0.00 94 N 8.59 4.91 0.00 2.94 2.74 0.00 0.00 6.98 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.90 4.24 0.00 1.74 1.98 0.00 3.15 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 96 E 8.33 4.41 0.00 1.95 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 2.24 2.27 0.00 97 D 7.53 4.70 0.00 2.71 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 98 L 8.31 4.53 0.00 1.66 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.29 4.94 0.00 2.79 2.72 0.00 0.00 7.07 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 0.00 100 R 8.48 4.54 0.00 1.70 1.87 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 101 A 10.26 4.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.16 3.98 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 0.00 0.00 0.00 103 S 7.69 5.15 0.00 3.90 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 0.00 104 A 9.14 4.94 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 0.00 105 F 8.94 5.19 0.00 3.21 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 0.00 106 V 7.89 4.74 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 107 K 8.92 4.72 0.00 1.97 1.63 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.25 7.81 108 D 8.62 5.43 0.00 2.48 2.41 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 0.00 109 Q 9.30 5.02 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 110 V 8.87 5.13 2.38 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 0.74 0.00 0.00 0.90 0.00 0.00 111 R 9.14 5.06 0.00 1.90 1.74 0.00 3.04 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 112 K 7.97 3.95 0.00 0.79 0.81 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.58 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.81 0.21 7.81 113 I 8.68 4.28 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.81 0.00 0.00 114 N 9.81 4.40 0.00 2.84 2.85 0.00 0.00 7.20 7.65 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 0.00 115 G 8.21 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 0.00 116 K 7.60 4.66 0.00 1.76 1.54 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.54 1.32 7.81 117 W 9.07 4.89 0.00 3.09 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 0.00 118 Y 8.98 5.00 0.00 2.87 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 0.00 119 L 9.12 4.35 0.00 1.03 1.36 0.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 I 9.20 4.16 2.04 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 1.20 1.29 0.96 0.00 0.00 121 L 7.75 5.20 0.00 1.77 1.50 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.43 5.08 0.00 1.88 1.90 0.00 2.48 0.00 0.00 2.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 123 Q 9.16 5.11 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 124 I 8.83 4.56 2.03 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 1.16 0.00 0.00 125 E 9.40 4.74 0.00 2.16 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 2.30 2.34 0.00 126 V 8.27 4.39 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 0.85 0.00 0.00 1.39 0.00 0.00 127 D 9.30 4.81 0.00 2.67 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 0.00 128 P 0.00 4.32 0.00 2.12 2.12 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 129 S 7.84 4.17 0.00 3.98 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 0.00 130 L 7.53 3.94 0.00 1.65 1.47 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.20 0.00 2.10 2.13 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 132 L 7.95 4.05 0.00 1.61 1.66 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.61 4.11 0.00 1.63 1.36 0.14 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.