NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *15 H 4.7766 8.4449 117.3777 54.5213 29.9126 172.1080 16 M 4.7898 8.0743 123.9301 52.2553 35.1994 170.3401 17 V 4.6241 8.6630 116.0809 60.6735 34.4647 174.6687 18 S 5.3441 9.1788 118.2860 56.9999 64.9838 172.4427 19 C 5.3298 9.3942 125.2904 58.0259 35.6561 172.3111 20 C 5.3764 8.6994 123.0216 57.5291 34.5758 172.2513 21 Y 5.2276 7.9353 123.1378 55.2898 41.7192 173.9750 22 R 4.6720 8.0293 116.4357 54.7319 33.0310 174.2879 23 S 5.1934 8.4361 112.5072 58.6056 67.2042 173.2064 24 L 5.1668 8.7042 120.4417 52.6287 43.4173 176.2907 25 A 4.7691 9.0131 126.7852 52.2664 19.1226 177.0193 26 A 4.1054 8.9809 124.2184 51.8421 18.9062 177.0636 27 P 4.2084 0.0000 0.0000 65.7127 31.3730 176.7631 28 D 4.7459 7.9738 116.0707 52.7563 39.5262 175.9242 29 L 4.1597 7.8404 121.9714 56.2174 42.6112 176.8128 30 T 4.7275 8.3129 114.4753 59.1650 72.8134 175.1406 31 L 3.9184 8.3121 122.3092 58.3551 42.0187 178.6506 32 R 3.8794 8.0866 118.0799 59.7276 29.7972 177.7286 33 D 4.3727 8.0557 118.3394 57.5760 40.8887 178.9205 34 L 4.0206 7.9298 119.2108 57.8714 41.5930 179.6303 35 L 4.0686 8.2810 119.1571 57.8286 41.5445 179.3295 36 D 4.3538 8.4195 119.0968 57.3691 40.8081 178.7612 37 I 3.6391 8.0345 120.6252 64.3562 37.0329 178.6972 38 V 3.7980 7.9005 118.8236 66.0195 31.3504 177.5499 39 E 3.9274 8.5579 119.3921 59.8004 29.5216 178.8280 40 T 3.8075 7.8940 115.5842 66.7510 68.3676 176.8054 41 S 3.7481 7.7055 116.7555 61.1721 62.8165 176.5605 42 Q 3.9667 8.1110 120.7783 58.9720 28.6188 178.7393 43 A 3.9321 7.5992 121.6129 55.4430 18.4077 179.0579 44 H 3.9411 8.0733 116.1517 59.5838 29.9928 177.2779 45 N 4.1203 8.2337 118.2486 56.0336 38.0323 177.3204 46 A 4.0301 8.0151 123.8369 55.7715 18.8843 180.1942 47 R 4.0042 7.7693 118.5796 61.5875 29.3764 180.1237 48 A 4.3077 8.1849 118.5246 51.8094 18.5457 177.2636 49 Q 3.5621 7.5135 114.6270 56.8997 26.2893 173.9358 50 L 5.2475 8.3723 119.4201 52.8354 41.5388 176.6699 51 T 4.5206 8.8554 114.3866 60.0875 70.6402 175.8589 52 G 4.0805 7.3268 108.1658 45.3632 0.0000 171.1046 53 A 4.2769 7.3758 119.8664 49.9193 22.8772 175.1395 54 L 5.2784 8.0090 123.7155 53.4202 44.6562 174.9587 55 F 5.3219 10.0796 125.6020 56.0013 41.7306 173.9972 56 Y 5.2844 9.5075 125.0351 55.9927 41.3122 174.4106 57 S 4.2792 8.3830 122.0032 56.8427 64.7136 172.6021 58 Q 2.9380 9.0463 124.1429 56.7839 26.4190 174.8773 59 G 4.0678 7.8013 111.5042 46.0496 0.0000 170.3864 60 V 4.8917 6.9786 118.7969 61.1001 34.4853 174.2724 61 F 5.8457 9.3014 126.5425 56.3559 41.7414 174.9108 62 F 4.8930 9.8300 120.5326 55.8889 43.0697 173.5940 63 Q 5.3471 8.3887 124.3365 54.0913 32.8888 173.6346 64 W 5.3041 9.6790 124.9913 54.9576 32.3919 174.6709 65 L 5.3589 9.3340 123.9114 53.1544 45.3477 175.4509 66 E 5.6936 9.9663 122.0286 53.1012 34.2618 176.4327 67 G 4.2473 8.7832 111.1867 44.6666 0.0000 172.4365 68 R 4.2890 8.1716 121.2380 58.0725 30.6249 171.2825 69 P 4.3944 0.0000 0.0000 65.0537 31.4605 178.6626 70 A 3.9745 8.0140 118.5474 55.1192 18.0910 179.1938 71 A 3.9957 8.0363 118.8546 55.3859 18.3275 179.9485 72 V 3.5653 7.9465 116.4525 66.0059 31.7295 178.1721 73 A 3.9820 8.1104 120.5676 55.1108 17.6615 179.5309 74 E 3.9191 8.6663 117.7796 59.4463 29.5635 179.9046 75 V 3.5288 7.4419 118.8396 65.1268 31.3483 178.1222 76 M 3.9047 8.1431 119.6750 58.4331 31.5844 178.6798 77 T 3.7595 7.5527 114.3368 67.1765 68.9710 175.9182 78 H 4.2871 7.8635 117.0250 58.5813 28.8050 177.9523 79 I 3.6769 7.8315 121.6651 64.5803 36.7615 178.4402 80 Q 3.8466 8.4117 117.9911 58.3006 28.6152 177.7895 81 R 4.3580 7.2013 110.7375 55.4631 30.3786 175.7831 82 D 4.3726 7.9468 120.6262 54.6583 41.3799 177.0499 83 R 4.2320 8.5190 125.1434 58.2529 30.5818 177.3367 84 R 4.4660 8.2732 116.9437 57.5803 30.9128 175.4586 85 H 5.7515 8.0237 113.0289 54.7818 32.4501 172.3130 86 S 4.3982 9.0654 112.1527 57.9741 66.4996 172.6553 87 N 4.1855 8.4945 112.2187 54.5720 35.8168 174.9545 88 V 4.2309 7.4369 116.9154 62.4244 32.8736 175.5317 89 E 4.6467 8.7842 128.6288 54.1845 31.7424 175.8633 90 I 4.0367 8.4729 125.3484 61.3677 38.3639 175.1239 91 L 4.6553 8.8014 126.9538 55.8802 44.7965 176.7016 92 A 4.2743 7.7136 120.0614 51.4256 21.2219 174.5569 93 E 4.6035 8.6999 123.0191 55.5196 31.2380 174.8504 94 E 4.8983 8.9587 127.3532 53.7823 33.7487 172.3260 95 P 4.7837 0.0000 0.0000 63.5656 32.3052 176.1407 96 I 4.6751 8.6243 122.2231 58.8779 38.8835 174.4134 97 A 3.8553 9.1261 132.2458 54.3892 18.6313 177.8460 98 K 4.7272 7.7210 114.0015 52.6983 35.2761 176.7683 99 R 4.7547 8.4282 116.9407 57.5452 31.2644 177.7619 100 R 4.4504 10.0789 119.4308 55.9396 30.4883 176.2649 101 F 4.8920 7.8398 114.0620 56.4137 42.4144 175.1080 102 A 4.2556 9.0997 128.4192 54.9003 19.2763 176.7983 103 G 4.2418 7.8461 104.8262 45.1669 0.0000 170.4375 104 W 6.0514 9.2106 131.4120 55.3916 33.4629 175.6774 105 H 4.2374 7.0166 119.3413 54.5082 31.4054 171.4460 106 M 4.4600 7.7755 118.9418 53.7097 34.3781 174.6015 107 Q 4.5589 9.0500 126.4588 54.1546 32.1736 173.8805 108 L 5.4265 8.3826 125.2871 52.6957 44.8988 176.6009 109 S 4.1721 8.6885 120.1810 59.1384 63.4524 174.8245 110 C 4.6446 8.3569 123.3032 57.8294 31.9235 173.3044 111 S 4.4962 8.7582 122.1850 57.3689 64.5578 176.0086 112 E 4.4182 8.4277 117.5659 53.3425 27.5353 175.2585 113 A 4.6545 7.3881 134.9198 51.9538 22.1065 179.0918 114 D 4.3921 7.4750 115.3795 57.5977 40.7175 178.8285 115 M 4.1333 8.0792 121.2867 59.2209 31.9305 179.7566 116 R 3.9865 7.9954 120.3709 61.0460 29.4254 180.0525 117 S 4.6080 7.7615 111.6841 60.0900 63.5162 175.4527 118 L 4.4202 7.5804 120.9783 54.0371 41.8003 176.5954 119 G 3.9190 7.7255 106.6606 46.5668 0.0000 173.5051 120 L 4.7303 8.2213 118.5716 52.2266 44.2575 176.0911 121 A 4.7051 8.4980 124.6694 50.1717 21.3458 174.9946 122 E 4.7700 8.6730 123.4880 54.3318 32.1641 175.0572 123 S 4.6446 8.1876 117.9146 56.9807 66.0076 173.2625 124 R 4.5417 8.2616 121.6305 55.3513 31.3644 175.5154 125 Q 4.6067 8.1238 120.4194 54.4402 32.9293 174.2009 126 I 4.4332 8.1898 121.3064 59.7582 38.7527 175.8429 127 V 4.5423 7.9496 123.4802 59.5932 34.3542 175.4915 128 T 4.1316 8.3730 111.9283 61.7906 69.5557 174.8449 129 V 4.0094 8.1103 115.3077 61.7056 32.2981 175.6559 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 *15 H 8.44 4.78 0.00 2.95 2.94 0.00 7.12 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 16 M 8.07 4.79 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 17 V 8.66 4.62 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 0.86 0.00 0.00 1.00 0.00 0.00 18 S 9.18 5.34 0.00 3.96 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 19 C 9.39 5.33 0.00 2.98 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 20 C 8.70 5.38 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.94 5.23 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.03 4.67 0.00 1.30 0.66 0.00 2.96 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.29 0.00 23 S 8.44 5.19 0.00 4.19 4.18 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 24 L 8.70 5.17 0.00 1.67 1.68 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.01 4.77 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 26 A 8.98 4.11 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 27 P 0.00 4.21 0.00 2.21 2.24 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 28 D 7.97 4.75 0.00 2.82 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 29 L 7.84 4.16 0.00 1.84 1.66 1.05 0.54 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 30 T 8.31 4.73 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 1.27 0.00 0.00 31 L 8.31 3.92 0.00 1.80 1.73 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.09 3.88 0.00 1.92 1.94 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 33 D 8.06 4.37 0.00 3.08 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 34 L 7.93 4.02 0.00 1.91 1.75 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.28 4.07 0.00 1.84 1.74 0.94 1.36 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 36 D 8.42 4.35 0.00 2.85 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 37 I 8.03 3.64 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.87 0.00 0.00 38 V 7.90 3.80 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 1.26 0.00 0.00 1.15 0.00 0.00 39 E 8.56 3.93 0.00 2.05 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 2.30 2.36 0.00 40 T 7.89 3.81 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 1.10 0.00 0.00 41 S 7.71 3.75 0.00 3.07 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 42 Q 8.11 3.97 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.83 2.88 0.00 43 A 7.60 3.93 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 44 H 8.07 3.94 0.00 3.11 3.22 0.00 5.60 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 45 N 8.23 4.12 0.00 2.59 2.94 0.00 0.00 6.99 8.46 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 46 A 8.02 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.77 4.00 0.00 1.87 1.95 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 48 A 8.18 4.31 1.06 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 0.00 0.00 49 Q 7.51 3.56 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 50 L 8.37 5.25 0.00 1.53 1.63 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.86 4.52 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 52 G 7.33 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 0.00 0.00 0.00 53 A 7.38 4.28 0.63 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 54 L 8.01 5.28 0.00 2.10 1.57 1.16 1.36 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 55 F 10.08 5.32 0.00 3.13 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 56 Y 9.51 5.28 0.00 3.11 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 57 S 8.38 4.28 0.00 3.85 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 58 Q 9.05 2.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.51 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 59 G 7.80 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 0.00 0.00 0.00 60 V 6.98 4.89 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 1.17 0.00 0.00 0.98 0.00 0.00 61 F 9.30 5.85 0.00 3.22 2.96 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 62 F 9.83 4.89 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.39 5.35 0.00 1.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 64 W 9.68 5.30 0.00 3.09 2.96 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 65 L 9.33 5.36 0.00 1.66 1.59 1.12 0.75 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 66 E 9.97 5.69 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 67 G 8.78 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 0.00 0.00 0.00 0.00 68 R 8.17 4.29 0.00 1.83 1.84 0.00 3.30 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 69 P 0.00 4.39 0.00 2.08 2.17 0.00 3.84 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 2.13 2.10 0.00 70 A 8.01 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 71 A 8.04 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 72 V 7.95 3.57 2.22 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 1.04 0.00 0.00 1.07 0.00 0.00 73 A 8.11 3.98 1.39 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 74 E 8.67 3.92 0.00 2.09 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 2.34 2.32 0.00 75 V 7.44 3.53 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 0.86 0.00 0.00 0.80 0.00 0.00 76 M 8.14 3.90 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.81 0.00 77 T 7.55 3.76 4.50 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 1.13 0.00 0.00 78 H 7.86 4.29 0.00 3.26 3.26 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 79 I 7.83 3.68 1.82 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 1.42 0.82 0.64 0.00 0.00 80 Q 8.41 3.85 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 81 R 7.20 4.36 0.00 1.98 1.95 0.00 3.00 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 82 D 7.95 4.37 0.00 2.97 2.59 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 83 R 8.52 4.23 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 84 R 8.27 4.47 0.00 1.86 2.00 0.00 3.10 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 85 H 8.02 5.75 0.00 3.53 3.52 0.00 5.53 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.07 4.40 0.00 3.83 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 87 N 8.49 4.19 0.00 2.87 2.85 0.00 0.00 6.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.44 4.23 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 0.44 0.00 0.00 0.63 0.00 0.00 89 E 8.78 4.65 0.00 1.95 1.79 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 2.19 2.23 0.00 90 I 8.47 4.04 1.84 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 1.36 1.00 0.89 0.00 0.00 91 L 8.80 4.66 0.00 1.51 1.62 0.81 0.62 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 92 A 7.71 4.27 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.70 4.60 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 94 E 8.96 4.90 0.00 2.14 1.75 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 2.24 2.33 0.00 95 P 0.00 4.78 0.00 2.14 2.06 0.00 3.78 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 2.01 1.99 0.00 96 I 8.62 4.68 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 1.16 0.84 0.91 0.00 0.00 97 A 9.13 3.86 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 98 K 7.72 4.73 0.00 1.75 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.98 7.81 99 R 8.43 4.75 0.00 1.85 1.99 0.00 3.22 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 100 R 10.08 4.45 0.00 1.72 1.80 0.00 3.21 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 101 F 7.84 4.89 0.00 3.29 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 0.00 102 A 9.10 4.26 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 0.00 103 G 7.85 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 0.00 0.00 0.00 0.00 104 W 9.21 6.05 0.00 3.40 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 0.00 105 H 7.02 4.24 0.00 2.92 3.12 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.78 4.46 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 107 Q 9.05 4.56 0.00 1.65 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 108 L 8.38 5.43 0.00 1.55 1.63 0.95 1.08 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 0.00 109 S 8.69 4.17 0.00 3.68 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 0.00 110 C 8.36 4.64 0.00 2.88 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 0.00 111 S 8.76 4.50 0.00 3.98 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 0.00 112 E 8.43 4.42 0.00 2.01 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 2.23 1.87 0.00 113 A 7.39 4.65 1.27 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 0.00 0.00 0.00 114 D 7.48 4.39 0.00 2.97 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 0.00 115 M 8.08 4.13 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 116 R 8.00 3.99 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 117 S 7.76 4.61 0.00 3.99 4.18 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 0.00 118 L 7.58 4.42 0.00 1.84 1.76 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.73 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 0.00 120 L 8.22 4.73 0.00 1.70 1.56 0.93 0.72 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 0.00 121 A 8.50 4.71 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.67 4.77 0.00 1.90 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 2.18 2.25 0.00 123 S 8.19 4.64 0.00 3.96 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 0.00 124 R 8.26 4.54 0.00 1.76 1.85 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 125 Q 8.12 4.61 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 126 I 8.19 4.43 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 1.47 0.53 0.91 0.00 0.00 127 V 7.95 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 128 T 8.37 4.13 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 0.00 129 V 8.11 4.01 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.