NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.5080 8.4345 117.1023 58.5333 64.5024 175.2704 *0 H 4.6073 7.7278 118.5153 53.5460 28.8564 172.7361 2 S 3.5838 8.7200 116.1256 59.6371 63.6150 170.9872 3 L 4.8687 7.7817 120.9328 54.0678 45.1268 174.3455 4 A 4.6527 9.5125 129.3282 50.8130 20.8513 175.6248 5 I 4.7614 8.3707 122.6542 59.4096 39.9173 174.3953 6 D 4.9818 8.9372 126.9377 52.3762 43.4236 174.6791 7 L 5.3905 8.4536 124.9490 53.2273 45.3471 175.6351 8 E 4.6207 8.8437 121.8882 55.2364 33.6771 173.7084 9 V 4.5651 8.4549 127.1635 61.4579 32.9725 175.3253 10 K 4.3874 9.3573 130.2585 55.0468 32.9672 176.1819 11 Q 3.7120 8.2009 128.3161 56.9975 26.3546 174.3434 12 D 4.7347 8.6321 124.4977 54.6006 39.5559 175.3089 13 V 4.8578 7.5484 119.6432 61.6330 34.7132 173.7469 14 L 4.9966 9.1057 129.8188 53.4856 44.3080 174.7303 15 I 4.8978 8.9571 127.5093 59.5875 39.8935 174.7112 16 V 4.6728 9.1088 126.8613 61.2450 34.3318 174.1611 17 R 5.1043 9.1500 127.8375 54.4554 32.5061 175.0014 18 L 5.2339 8.6914 124.2208 53.0355 44.2677 176.1663 19 S 4.5229 9.3230 117.1841 58.0479 64.9846 170.5711 20 G 4.0836 7.7873 114.8825 44.5595 0.0000 171.5733 21 E 5.0344 8.5458 123.4175 54.7553 31.7386 176.3507 22 L 4.7371 9.3947 127.2919 53.4129 41.9478 174.3516 23 D 5.6859 8.1103 124.9189 49.9895 43.1288 175.2223 24 H 4.0674 9.3954 117.8842 59.7094 29.6394 175.8591 25 H 4.1402 8.3729 118.7177 59.9888 29.6640 177.1024 26 T 3.8577 8.7854 117.1568 66.7329 68.4093 176.5835 27 A 4.0893 9.5303 122.5779 54.7994 18.1885 179.2844 28 E 3.8975 7.8875 118.4937 59.2367 29.7685 178.5283 29 E 3.9312 8.0256 119.1047 58.7151 29.7823 178.3913 30 L 3.9118 7.7329 120.2824 58.2138 42.3815 178.6989 31 R 3.9091 7.9805 118.6249 59.6698 29.7613 178.3240 32 E 3.9818 7.8750 118.3167 59.5303 29.6967 179.2897 33 Q 4.0297 7.9460 117.6490 58.6548 28.6936 179.0429 34 V 3.5748 7.9470 119.6104 66.2955 31.8555 178.2807 35 T 3.8661 7.7760 109.1716 64.7080 68.3480 175.8197 36 D 4.2752 7.9191 120.6176 57.3315 41.3380 178.4628 37 V 3.6446 7.6261 118.3378 65.8994 31.2585 177.9917 38 L 4.0578 7.8259 118.1275 57.5103 41.4397 178.9189 39 E 4.1417 7.7687 117.7437 59.1721 29.6021 178.4251 40 N 4.5859 7.8857 114.5840 54.0155 39.1559 175.4994 41 R 4.6522 7.4334 117.5421 54.1918 34.1408 175.8256 42 A 4.2763 8.3085 124.4467 51.3624 16.8686 175.2510 43 I 4.1862 7.6094 120.4372 60.0033 38.8048 175.7446 44 R 4.2647 8.8713 126.1393 57.8029 31.6845 175.6650 45 H 5.5855 8.0428 114.0102 53.9345 32.8291 172.9353 46 I 5.1097 8.3485 120.4078 59.5666 40.8186 175.2179 47 V 4.4912 9.1727 125.8394 61.1219 34.3196 173.9671 48 L 4.9882 9.1521 131.6325 53.6110 43.5309 175.0309 49 N 5.0075 9.4601 127.9096 52.6409 39.5407 174.8584 50 L 4.7100 8.8672 126.4141 54.3941 42.2419 178.8887 51 G 3.9110 8.4006 110.0294 48.8595 0.0000 174.9951 52 Q 4.3805 7.9717 117.3071 55.1018 28.9428 174.7827 53 L 4.4695 7.8467 122.2097 55.7585 41.7932 176.9985 54 T 4.3481 9.6746 124.3656 65.8596 69.8089 173.9921 55 F 4.6027 7.7700 121.6895 57.7142 43.2681 171.6124 *57 D 4.1918 8.2723 116.9232 53.0663 40.2319 175.3971 58 A 4.1228 8.4040 118.6722 55.3873 17.9488 179.8881 59 S 4.3048 8.8030 114.3394 61.0290 62.9020 177.0162 60 G 3.6075 8.3775 109.3237 47.6309 0.0000 175.7229 61 L 4.1068 8.0201 121.5264 57.4352 41.6965 179.3426 62 G 3.9557 8.1535 105.7765 48.2292 0.0000 176.0199 63 V 3.6850 7.7168 121.4765 64.0550 31.3329 178.5668 64 I 3.7802 7.5687 120.2551 64.1249 37.1333 177.9282 65 L 4.0967 8.7784 122.1085 58.2084 42.0306 179.3252 66 G 3.6534 8.3693 105.7122 47.7201 0.0000 175.8175 67 R 4.1624 7.7603 120.1142 58.6069 30.0178 178.4864 68 Y 4.0308 7.9593 119.8095 60.7121 38.7615 177.8378 69 K 3.4697 8.0042 119.1087 59.4740 32.3658 179.3777 70 Q 3.9230 7.4966 117.1538 58.9467 28.5802 178.5891 71 I 3.5891 7.3711 120.2806 63.6781 37.0910 178.3627 72 K 3.6033 8.1332 121.3207 59.4639 31.7336 178.5210 73 N 4.2867 7.5200 115.5665 55.6158 38.3842 176.7177 74 V 4.2931 6.7866 109.6232 60.2836 32.0622 175.9436 75 G 3.7652 7.9594 106.2463 46.5702 0.0000 174.4039 76 G 4.4719 7.8933 107.9444 44.2456 0.0000 172.4675 77 Q 4.9000 8.3427 117.2479 54.4622 33.1602 174.2340 *79 V 4.3261 8.2369 118.8365 63.8475 33.0869 175.7431 80 V 5.0619 8.5443 127.6173 61.5245 34.0365 174.0998 81 C 5.7328 9.0944 120.1442 56.2369 33.9775 173.1382 82 A 3.8984 8.6034 119.9209 53.3336 16.0315 177.9616 83 V 3.7434 7.8011 120.1109 63.4441 32.6670 176.3827 84 S 4.4491 8.2910 122.0506 57.0452 65.3722 173.4350 85 P 4.0962 0.0000 0.0000 65.7199 31.2636 178.4348 86 A 3.9016 8.0073 118.9599 55.4857 18.2833 179.7760 87 V 3.3266 7.2604 115.9046 65.7991 31.6662 177.9170 88 K 3.4487 8.1357 119.7964 59.4357 31.6908 178.3772 89 R 3.8799 8.0151 118.2285 59.7233 30.0089 178.2304 90 L 4.1797 7.2293 116.1187 57.7205 41.9468 179.2307 91 F 4.7320 8.0670 117.3586 60.2992 38.3203 176.6889 92 D 4.8118 7.8950 116.6240 55.2223 40.1936 178.0259 *94 S 4.0095 8.0728 116.0059 56.6951 64.8456 174.1196 95 G 3.4726 7.6176 108.6977 46.6369 0.0000 175.5206 96 L 3.7081 7.6661 123.7294 57.1255 41.7730 178.1117 97 F 4.4371 7.7709 115.8975 59.2735 37.5371 177.0870 98 K 4.1100 6.3497 117.5408 58.0136 31.8290 177.0504 99 I 4.2120 7.2860 116.0956 59.5588 39.7895 174.4566 100 I 4.3893 7.2268 120.0753 59.4385 40.3809 174.3183 101 R 4.3853 8.4751 126.6506 56.0854 31.4696 175.3693 102 V 5.0251 8.3788 122.1911 61.2900 33.8636 174.3885 103 E 4.7809 9.1709 125.9695 54.2959 33.6073 176.2557 104 A 4.0832 8.7919 122.8773 54.4849 19.0331 177.7022 105 D 4.7444 7.9746 110.9993 51.5834 41.4212 175.3489 106 E 3.9808 8.7968 118.7072 59.1579 29.3254 178.4783 107 Q 3.9407 7.7542 115.7584 58.5031 29.6842 177.7776 108 F 4.3800 7.8627 117.9242 59.9692 38.8792 177.6551 109 A 4.0362 8.1976 120.8304 55.3214 18.2266 179.6927 110 L 3.9464 7.4763 117.1020 57.8896 41.5994 179.6508 111 Q 4.2053 8.3232 120.8149 58.4138 28.8043 177.8902 112 A 4.1554 7.9408 120.6854 54.2852 18.3454 178.4229 113 L 4.5089 7.3942 116.2669 53.6568 42.1317 176.5471 114 G 4.1056 7.6374 105.3335 46.4548 0.0000 175.2146 115 V 3.8878 7.9575 120.2324 63.8040 32.4169 175.8985 116 A 4.2052 7.6461 127.0235 52.3366 19.1607 175.3838 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 -1 S 8.43 4.51 0.00 3.65 3.81 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 *0 H 7.73 4.61 0.00 2.85 2.92 0.00 7.28 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 2 S 8.72 3.58 0.00 3.93 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 3 L 7.78 4.87 0.00 1.93 1.52 1.01 1.08 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 4 A 9.51 4.65 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 5 I 8.37 4.76 1.88 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 1.25 0.73 0.92 0.00 0.00 6 D 8.94 4.98 0.00 2.79 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 7 L 8.45 5.39 0.00 1.53 1.52 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.84 4.62 0.00 2.03 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 2.22 2.26 0.00 9 V 8.45 4.57 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 0.90 0.00 0.00 0.93 0.00 0.00 10 K 9.36 4.39 0.00 1.79 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 11 Q 8.20 3.71 0.00 2.27 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.46 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 D 8.63 4.73 0.00 2.81 2.87 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 13 V 7.55 4.86 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 0.97 0.00 0.00 0.98 0.00 0.00 14 L 9.11 5.00 0.00 1.75 1.51 0.93 0.94 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 15 I 8.96 4.90 1.98 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 1.13 0.50 0.93 0.00 0.00 16 V 9.11 4.67 2.11 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 1.00 0.00 0.00 0.95 0.00 0.00 17 R 9.15 5.10 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 18 L 8.69 5.23 0.00 1.54 1.59 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.32 4.52 0.00 4.05 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 20 G 7.79 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 21 E 8.55 5.03 0.00 1.95 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 2.34 2.26 0.00 22 L 9.39 4.74 0.00 1.61 1.68 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.11 5.69 0.00 3.10 3.11 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 24 H 9.40 4.07 0.00 3.19 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.37 4.14 0.00 3.33 3.47 0.00 5.93 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 26 T 8.79 3.86 4.61 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 1.30 0.00 0.00 27 A 9.53 4.09 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 28 E 7.89 3.90 0.00 1.94 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 0.00 2.25 2.30 0.00 29 E 8.03 3.93 0.00 2.06 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 2.37 2.41 0.00 30 L 7.73 3.91 0.00 1.79 1.83 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.98 3.91 0.00 1.97 2.16 0.00 3.14 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 32 E 7.87 3.98 0.00 2.14 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 2.32 2.71 0.00 33 Q 7.95 4.03 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 34 V 7.95 3.57 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 1.05 0.00 0.00 0.99 0.00 0.00 35 T 7.78 3.87 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 1.27 0.00 0.00 36 D 7.92 4.28 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 37 V 7.63 3.64 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 0.98 0.00 0.00 1.04 0.00 0.00 38 L 7.83 4.06 0.00 1.82 1.70 0.96 0.81 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 39 E 7.77 4.14 0.00 2.10 1.99 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 2.33 2.65 0.00 40 N 7.89 4.59 0.00 2.68 2.87 0.00 0.00 6.82 8.75 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 41 R 7.43 4.65 0.00 1.74 1.76 0.00 3.15 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 42 A 8.31 4.28 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 43 I 7.61 4.19 1.86 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 1.30 0.61 0.93 0.00 0.00 44 R 8.87 4.26 0.00 1.80 1.87 0.00 2.96 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.47 0.00 45 H 8.04 5.59 0.00 3.10 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.35 5.11 1.91 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 1.13 0.62 0.99 0.00 0.00 47 V 9.17 4.49 2.11 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 0.87 0.00 0.00 0.96 0.00 0.00 48 L 9.15 4.99 0.00 1.80 1.60 1.01 0.48 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 49 N 9.46 5.01 0.00 2.88 2.73 0.00 0.00 6.81 6.53 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 50 L 8.87 4.71 0.00 1.77 1.66 1.05 0.64 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 51 G 8.40 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 52 Q 7.97 4.38 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 53 L 7.85 4.47 0.00 1.73 1.62 0.96 0.97 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 54 T 9.67 4.35 4.36 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 1.29 0.00 0.00 55 F 7.77 4.60 0.00 3.14 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 *57 D 8.27 4.19 0.00 3.02 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 58 A 8.40 4.12 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 59 S 8.80 4.30 0.00 4.16 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 60 G 8.38 3.61 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 0.00 0.00 0.00 61 L 8.02 4.11 0.00 1.87 1.74 0.96 1.17 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 62 G 8.15 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 0.00 0.00 0.00 63 V 7.72 3.68 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 0.98 0.00 0.00 0.97 0.00 0.00 64 I 7.57 3.78 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.81 0.00 0.00 65 L 8.78 4.10 0.00 1.76 1.83 0.93 0.69 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 66 G 8.37 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 67 R 7.76 4.16 0.00 2.18 2.01 0.00 3.18 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 68 Y 7.96 4.03 0.00 3.07 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 69 K 8.00 3.47 0.00 1.99 1.80 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.74 7.81 70 Q 7.50 3.92 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 71 I 7.37 3.59 1.86 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 1.57 0.99 1.00 0.00 0.00 72 K 8.13 3.60 0.00 0.79 1.55 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 73 N 7.52 4.29 0.00 2.78 2.82 0.00 0.00 6.99 7.62 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 74 V 6.79 4.29 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 0.70 0.00 0.00 1.01 0.00 0.00 75 G 7.96 3.77 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 0.00 0.00 0.00 76 G 7.89 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.34 4.90 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 *79 V 8.24 4.33 2.12 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 0.93 0.00 0.00 0.96 0.00 0.00 80 V 8.54 5.06 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 1.27 0.00 0.00 0.95 0.00 0.00 81 C 9.09 5.73 0.00 3.03 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 82 A 8.60 3.90 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 83 V 7.80 3.74 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 0.58 0.00 0.00 1.03 0.00 0.00 84 S 8.29 4.45 0.00 4.05 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 85 P 0.00 4.10 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 86 A 8.01 3.90 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 87 V 7.26 3.33 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 0.29 0.00 0.00 0.77 0.00 0.00 88 K 8.14 3.45 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 89 R 8.02 3.88 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 90 L 7.23 4.18 0.00 1.85 1.78 0.81 0.83 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 91 F 8.07 4.73 0.00 3.30 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 92 D 7.90 4.81 0.00 3.02 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 *94 S 8.07 4.01 0.00 3.96 4.06 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 95 G 7.62 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.67 3.71 0.00 1.65 1.31 0.76 0.49 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 97 F 7.77 4.44 0.00 3.30 3.35 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 98 K 6.35 4.11 0.00 1.41 1.71 0.00 1.44 0.00 0.00 1.29 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 0.21 7.81 99 I 7.29 4.21 1.47 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.36 0.65 0.00 0.00 100 I 7.23 4.39 1.60 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 1.07 1.10 0.62 0.00 0.00 101 R 8.48 4.39 0.00 1.84 1.85 0.00 3.15 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 102 V 8.38 5.03 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 0.95 0.00 0.00 1.10 0.00 0.00 103 E 9.17 4.78 0.00 1.95 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 2.26 2.59 0.00 104 A 8.79 4.08 1.38 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 0.00 0.00 105 D 7.97 4.74 0.00 2.83 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 0.00 106 E 8.80 3.98 0.00 2.07 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 2.38 2.44 0.00 107 Q 7.75 3.94 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 108 F 7.86 4.38 0.00 3.29 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 0.00 109 A 8.20 4.04 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 0.00 110 L 7.48 3.95 0.00 1.77 1.72 0.96 0.94 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 0.00 111 Q 8.32 4.21 0.00 2.28 2.37 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 2.42 2.27 0.00 112 A 7.94 4.16 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 0.00 0.00 0.00 0.00 0.00 113 L 7.39 4.51 0.00 1.67 1.55 0.92 0.77 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 0.00 114 G 7.64 4.11 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 0.00 115 V 7.96 3.89 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 0.78 0.00 0.00 0.99 0.00 0.00 116 A 7.65 4.21 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 * Residues marked with a * may have inaccurate shift predictions.