NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.6770 8.0027 121.9552 57.5194 40.5304 173.0521 7 V 4.6394 7.8154 126.3741 60.1452 33.8752 173.5374 8 F 4.8762 9.9652 130.8837 56.4706 43.0686 172.6980 9 E 4.8177 7.8323 124.5644 55.0706 31.4444 174.3885 10 D 4.6520 8.4492 121.5223 53.1549 45.7626 173.6257 11 V 4.8299 8.0159 119.1909 60.9174 35.0817 174.5234 12 V 4.1628 8.7455 127.5935 62.7342 32.6096 175.3419 13 R 4.6044 8.7459 126.2731 53.8810 33.3087 176.9860 14 I 3.5361 8.0591 120.0644 64.3941 37.9512 177.2941 15 Y 4.3691 7.2571 116.0561 59.0572 38.1352 176.0151 16 D 4.4129 7.9910 120.5989 55.0299 41.3787 175.8462 17 T 4.9779 7.5200 109.6972 59.6530 71.2081 173.0996 18 D 5.0837 8.0101 121.9069 51.1759 42.1373 176.3548 19 A 4.0632 8.5204 120.7141 54.9706 16.8976 178.3256 20 Q 4.1680 8.9605 114.7910 56.0119 28.8279 177.5061 21 G 3.7497 8.5932 106.5760 45.4768 0.0000 173.1046 22 I 4.9722 7.1238 111.1664 58.3341 41.6677 174.4095 23 A 4.3976 9.0452 125.7913 52.4752 18.9189 177.2456 24 H 4.7892 8.6750 118.0240 53.9438 30.8577 175.4308 25 Y 4.1938 9.0320 118.9811 61.1513 38.7537 178.2452 26 A 4.0520 8.4095 120.3683 54.5239 18.6838 179.1465 27 A 3.5149 8.0251 119.7067 55.4533 18.2428 179.4752 28 Y 4.1188 7.4036 114.9724 61.0995 37.9192 177.8716 29 Y 2.3900 7.5529 120.2303 59.8706 38.8848 177.7911 30 R 3.5581 7.3688 119.1940 59.1157 30.1104 178.5370 31 F 4.4422 7.3057 117.7064 60.7405 39.0357 177.7402 32 F 4.1687 8.0169 114.6097 59.8460 37.6483 177.6838 33 T 3.6808 7.3821 116.7233 66.5144 68.1909 176.1042 34 N 4.0942 7.7788 118.1953 56.4969 38.5062 177.6852 35 T 3.2096 7.3930 116.7895 66.5158 68.6273 176.8728 36 I 3.1690 7.7842 121.9568 64.1481 36.9539 178.1799 37 E 3.5982 8.0502 120.4545 58.9989 29.3974 178.8148 38 K 3.9635 7.8801 119.7561 59.0826 32.2534 178.5097 39 F 3.2387 7.8042 121.0848 61.2394 39.1066 177.2915 40 I 3.3795 7.4192 119.1395 63.5294 36.6992 178.2696 41 K 3.8160 7.8481 120.6381 59.7133 31.8460 178.7593 42 E 3.9733 8.1153 117.5789 58.9520 29.5550 178.7568 43 K 4.0803 7.9363 117.3619 57.5286 32.5537 177.8045 44 V 3.9632 7.4549 116.8596 62.1568 32.9679 175.8686 45 G 3.9859 8.4608 107.1656 46.9240 0.0000 172.8862 46 I 4.6821 7.3709 110.8027 57.3538 40.6331 173.1539 47 P 4.5187 0.0000 0.0000 63.3202 31.7829 174.9968 48 Y 4.8120 8.0458 119.0790 55.8899 41.7223 172.7456 49 P 4.2132 0.0000 0.0000 62.5146 31.9494 174.8592 50 I 4.0986 7.1255 120.5231 60.0053 37.4152 175.4997 51 V 3.9142 8.3943 126.3566 64.5536 32.0491 175.6958 52 N 4.9693 7.7967 116.4457 52.3852 39.7490 175.0258 53 E 4.1784 8.9363 113.2695 58.5773 29.7479 173.3300 54 N 4.7624 8.7545 113.0748 53.2756 39.6015 173.9890 55 L 4.6476 8.0145 122.1357 53.9501 45.2928 174.3858 56 W 5.4863 9.1184 126.1104 54.9481 33.6307 174.2749 57 F 5.3523 8.9777 120.6881 56.0616 40.2945 175.8305 58 V 4.7425 8.7208 116.0595 59.4828 35.8095 174.7646 59 I 4.6448 8.5868 123.8274 61.2042 37.1236 175.6389 60 A 4.5596 9.2561 129.7476 53.6041 20.2834 176.9061 61 E 4.9285 8.0129 114.5292 55.2057 33.1433 174.2673 62 S 5.2562 8.6661 119.9551 57.0707 66.3252 172.6318 63 H 4.7902 8.3835 120.1038 55.1022 33.3286 171.9347 64 A 4.6511 7.8306 124.7981 50.6147 22.3580 175.3267 65 I 4.0541 8.3024 120.5740 59.5709 40.6147 174.4015 66 Y 4.5812 8.3708 125.2452 56.9374 38.0069 175.3287 67 H 4.5916 9.0059 122.8521 58.1546 29.4008 176.6433 68 R 4.7610 7.8252 114.1182 53.5897 34.0447 172.9062 69 P 4.8245 0.0000 0.0000 62.8644 32.8164 175.5879 70 V 4.6757 8.4662 112.6530 59.6633 35.6719 174.7202 71 K 4.9492 9.1410 121.6917 53.8216 36.8569 175.5436 72 L 4.0322 8.4347 123.1129 57.0231 42.0586 177.3531 73 G 3.9430 9.0657 114.6904 45.1923 0.0000 173.2085 74 D 4.4958 7.9558 120.5532 54.2103 42.1211 175.5099 75 K 4.6924 8.5023 122.1431 55.4713 33.2407 176.0748 76 L 4.9035 8.7517 125.4192 53.2553 45.0500 175.4844 77 T 4.9641 8.7216 118.3968 61.8038 71.5007 173.2012 78 V 4.9051 9.1039 126.9311 61.2616 33.9253 174.1159 79 L 5.1400 8.9727 128.3840 53.1871 43.7795 175.1085 80 L 5.1285 8.9544 126.0218 53.4135 44.4465 175.6512 81 N 4.9391 9.3808 125.7697 50.7492 39.7404 171.4209 82 P 4.6077 0.0000 0.0000 62.3596 33.0461 176.4772 83 K 4.2428 8.4412 123.3711 55.3248 35.1360 175.2266 84 I 4.0911 8.2811 129.6323 61.2203 37.5747 176.1215 85 L 4.2583 8.6506 126.3163 56.3581 42.6143 176.3232 86 S 4.5282 7.2252 108.0566 57.6256 66.1330 176.2906 87 N 4.3814 8.4910 117.0250 55.6401 38.3548 176.7661 88 K 4.6023 8.0865 115.7034 56.0586 34.2398 175.5699 89 T 5.2190 7.8104 109.1704 59.7921 71.8781 173.0063 90 I 4.7092 8.7294 125.8733 59.1583 40.7501 174.2089 91 K 4.6383 8.9048 128.5601 55.0548 33.9056 175.1314 92 F 4.9080 9.1791 128.0206 56.1003 40.1523 174.8969 93 E 4.9934 8.7943 124.6127 55.6769 31.1109 176.0308 94 F 6.2287 8.9319 117.3628 54.2771 42.0034 173.4847 95 K 5.1292 8.7704 118.1398 55.2562 36.4281 174.7020 96 V 4.9195 8.8504 122.0795 61.2830 34.0534 174.1987 97 L 5.2907 9.2134 127.6324 52.7990 45.1935 175.2691 98 K 4.5941 8.6402 123.5914 54.9558 35.2015 175.8855 99 D 4.6479 9.6325 127.5872 55.6376 38.1968 174.6533 100 G 3.9317 8.5057 103.9164 45.8089 0.0000 173.6403 101 E 4.6556 7.6037 118.9586 53.5728 32.0331 175.3988 102 L 4.3889 8.6007 125.6631 55.6996 42.9067 176.1527 103 T 4.6304 9.5484 116.7717 63.2309 71.3030 174.3576 104 T 5.1368 7.6770 116.0159 62.4036 73.7891 172.6936 105 E 4.6134 7.7785 122.7610 55.6621 33.8489 175.1333 106 G 3.2726 7.2393 113.9682 46.5831 0.0000 170.9485 107 Y 5.3016 7.0534 115.1898 56.3625 41.6405 173.9188 108 V 5.0121 8.6766 113.3743 59.7905 35.8884 174.6633 109 I 4.8783 8.7502 124.9171 60.2532 38.9958 174.7222 110 Q 5.3729 9.3553 126.1935 54.2272 32.2407 174.4691 111 I 5.0732 8.7476 123.7378 59.2856 40.0349 174.8714 112 A 4.2793 9.1779 130.1421 51.7536 19.2190 176.3857 113 I 4.6407 8.7011 116.2623 58.8045 41.6439 174.4676 114 N 5.0428 8.7891 123.2777 51.2235 38.9252 174.0968 115 P 4.1735 0.0000 0.0000 64.8617 31.8205 177.8715 116 K 4.0143 7.7403 118.7065 58.5467 31.9288 177.5656 117 I 4.2038 7.5175 108.7825 59.2347 39.3188 174.6314 118 W 3.2667 7.9705 130.3904 58.2650 29.3050 173.1239 119 K 4.7863 7.0135 116.3969 54.3202 36.8388 177.7815 120 S 4.5770 8.5067 116.9968 59.0845 63.6727 173.2850 121 T 4.5913 8.4376 115.6942 60.3918 70.2918 174.9044 122 E 4.7346 8.4194 130.4003 55.2247 29.4052 174.6628 *124 P 4.2151 0.0000 0.0000 62.9708 32.7789 177.2858 125 K 3.8794 8.9808 125.4906 60.3226 32.4248 178.3275 126 E 4.1206 8.4289 113.4605 59.4689 29.4800 181.3008 127 I 3.8392 7.5186 116.1792 62.3003 36.6929 177.7742 *129 D 4.5592 8.0630 122.3026 54.0444 42.6280 175.7797 130 K 4.1759 7.7671 121.9862 56.5398 32.1000 176.4503 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 Y 8.00 4.68 0.00 3.07 2.82 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 0.00 0.00 0.00 7 V 7.82 4.64 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 0.75 0.00 0.00 0.88 0.00 0.00 8 F 9.97 4.88 0.00 3.26 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.83 4.82 0.00 1.54 1.59 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 2.08 2.10 0.00 10 D 8.45 4.65 0.00 2.78 2.35 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 11 V 8.02 4.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.86 0.00 0.00 12 V 8.75 4.16 2.19 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 0.76 0.00 0.00 0.94 0.00 0.00 13 R 8.75 4.60 0.00 0.67 1.16 0.00 3.24 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 14 I 8.06 3.54 1.81 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 1.47 1.23 0.90 0.00 0.00 15 Y 7.26 4.37 0.00 3.04 3.08 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 16 D 7.99 4.41 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.98 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 1.22 0.00 0.00 18 D 8.01 5.08 0.00 2.87 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 19 A 8.52 4.06 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 20 Q 8.96 4.17 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.70 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 21 G 8.59 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 0.00 0.00 0.00 22 I 7.12 4.97 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.98 1.01 0.00 0.00 23 A 9.05 4.40 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 24 H 8.68 4.79 0.00 3.31 3.66 0.00 5.50 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.03 4.19 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.41 4.05 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 27 A 8.03 3.51 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.40 4.12 0.00 2.97 3.24 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 29 Y 7.55 2.39 0.00 2.66 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 30 R 7.37 3.56 0.00 1.73 1.61 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 31 F 7.31 4.44 0.00 3.24 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 32 F 8.02 4.17 0.00 2.59 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 33 T 7.38 3.68 3.69 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 1.06 0.00 0.00 34 N 7.78 4.09 0.00 2.77 2.33 0.00 0.00 7.10 6.91 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 35 T 7.39 3.21 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 1.34 0.00 0.00 36 I 7.78 3.17 1.07 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.63 -0.95 0.00 0.00 37 E 8.05 3.60 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 38 K 7.88 3.96 0.00 1.85 1.89 0.00 1.91 0.00 0.00 2.01 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.88 1.56 7.81 39 F 7.80 3.24 0.00 2.05 2.82 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 0.00 0.00 0.00 40 I 7.42 3.38 1.60 0.00 0.00 0.54 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 0.42 0.90 0.00 0.00 41 K 7.85 3.82 0.00 1.87 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 42 E 8.12 3.97 0.00 2.01 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 2.39 2.59 0.00 43 K 7.94 4.08 0.00 0.79 1.45 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.34 7.81 44 V 7.45 3.96 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 0.80 0.00 0.00 0.73 0.00 0.00 45 G 8.46 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.37 4.68 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.95 0.00 0.00 47 P 0.00 4.52 0.00 2.41 2.12 0.00 3.79 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 2.23 1.98 0.00 48 Y 8.05 4.81 0.00 2.83 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 49 P 0.00 4.21 0.00 2.15 1.29 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 50 I 7.13 4.10 1.57 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.14 0.77 0.00 0.00 51 V 8.39 3.91 2.33 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 0.88 0.00 0.00 1.17 0.00 0.00 52 N 7.80 4.97 0.00 2.99 2.95 0.00 0.00 6.20 7.66 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 53 E 8.94 4.18 0.00 2.01 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 0.00 2.23 1.91 0.00 54 N 8.75 4.76 0.00 2.82 2.79 0.00 0.00 6.23 7.56 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 55 L 8.01 4.65 0.00 1.71 1.60 0.64 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.12 5.49 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.98 5.35 0.00 3.02 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 58 V 8.72 4.74 2.24 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 0.89 0.00 0.00 0.94 0.00 0.00 59 I 8.59 4.64 2.05 0.00 0.00 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 1.53 0.72 1.09 0.00 0.00 60 A 9.26 4.56 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 61 E 8.01 4.93 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 62 S 8.67 5.26 0.00 3.92 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 63 H 8.38 4.79 0.00 2.73 1.78 0.00 5.79 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 64 A 7.83 4.65 0.66 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 65 I 8.30 4.05 1.58 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 1.06 0.84 0.73 0.00 0.00 66 Y 8.37 4.58 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 9.01 4.59 0.00 3.22 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.83 4.76 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 69 P 0.00 4.82 0.00 2.14 2.12 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 2.03 2.04 0.00 70 V 8.47 4.68 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 0.82 0.00 0.00 0.98 0.00 0.00 71 K 9.14 4.95 0.00 1.75 1.66 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.37 7.81 72 L 8.43 4.03 0.00 1.55 1.57 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.07 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 0.00 0.00 0.00 74 D 7.96 4.50 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.69 0.00 1.58 1.67 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.41 7.81 76 L 8.75 4.90 0.00 1.27 1.34 -0.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.72 4.96 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 1.19 0.00 0.00 78 V 9.10 4.91 2.34 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 1.24 0.00 0.00 1.09 0.00 0.00 79 L 8.97 5.14 0.00 1.70 1.61 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.95 5.13 0.00 1.68 1.56 0.98 0.44 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 81 N 9.38 4.94 0.00 2.78 2.63 0.00 0.00 6.62 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.61 0.00 1.92 1.92 0.00 3.62 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.09 0.00 83 K 8.44 4.24 0.00 1.67 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.33 7.81 84 I 8.28 4.09 1.83 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 1.35 0.59 0.94 0.00 0.00 85 L 8.65 4.26 0.00 1.64 1.66 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.23 4.53 0.00 3.95 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 87 N 8.49 4.38 0.00 2.85 2.94 0.00 0.00 6.66 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 K 8.09 4.60 0.00 1.83 1.80 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.32 7.81 89 T 7.81 5.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 I 8.73 4.71 1.45 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.80 -0.01 0.00 0.00 91 K 8.90 4.64 0.00 1.61 1.59 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.19 1.15 7.81 92 F 9.18 4.91 0.00 2.97 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 93 E 8.79 4.99 0.00 2.06 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 2.25 2.18 0.00 94 F 8.93 6.23 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 5.13 0.00 1.84 1.95 0.00 1.45 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 96 V 8.85 4.92 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.26 0.00 0.00 97 L 9.21 5.29 0.00 1.56 1.52 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.64 4.59 0.00 1.77 1.62 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.35 7.81 99 D 9.63 4.65 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 0.00 100 G 8.51 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 0.00 0.00 0.00 101 E 7.60 4.66 0.00 2.17 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 2.21 2.44 0.00 102 L 8.60 4.39 0.00 1.59 1.57 1.05 0.95 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 0.00 103 T 9.55 4.63 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 104 T 7.68 5.14 4.48 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 1.05 0.00 0.00 105 E 7.78 4.61 0.00 1.90 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 106 G 7.24 3.27 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 0.00 107 Y 7.05 5.30 0.00 3.10 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 0.00 108 V 8.68 5.01 2.20 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 0.41 0.00 0.00 0.98 0.00 0.00 109 I 8.75 4.88 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 0.97 0.00 0.00 110 Q 9.36 5.37 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 111 I 8.75 5.07 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.07 0.94 0.00 0.00 112 A 9.18 4.28 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 0.00 113 I 8.70 4.64 1.43 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.25 0.57 0.00 0.00 114 N 8.79 5.04 0.00 2.67 2.62 0.00 0.00 6.86 7.22 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 0.00 115 P 0.00 4.17 0.00 1.21 0.49 0.00 3.40 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.00 116 K 7.74 4.01 0.00 1.81 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.45 7.81 117 I 7.52 4.20 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.89 0.00 0.00 118 W 7.97 3.27 0.00 3.48 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 0.00 119 K 7.01 4.79 0.00 1.58 1.56 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.36 7.81 120 S 8.51 4.58 0.00 3.81 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 0.00 121 T 8.44 4.59 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 1.06 0.00 0.00 122 E 8.42 4.73 0.00 1.98 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 2.30 2.27 0.00 *124 P 0.00 4.22 0.00 2.23 2.02 0.00 3.66 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 2.04 2.09 0.00 125 K 8.98 3.88 0.00 1.98 1.85 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.01 7.81 126 E 8.43 4.12 0.00 2.02 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 0.00 2.24 1.95 0.00 127 I 7.52 3.84 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 1.05 0.00 0.00 *129 D 8.06 4.56 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.77 4.18 0.00 1.80 1.82 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.