NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5503 8.3644 120.3154 52.6446 41.5168 174.9437 3 I 3.8492 7.6722 121.3473 59.8819 38.5430 173.2048 4 K 4.7219 9.1625 127.5850 54.4799 36.2274 175.0716 5 E 4.4100 8.5209 121.3139 55.4752 30.5474 176.5884 6 L 4.4946 8.2907 122.5923 54.8689 42.7699 176.3846 7 H 4.3699 9.2431 123.7040 56.3822 30.9922 173.9293 8 V 4.5854 8.2047 125.7995 61.2064 32.9927 174.5686 9 K 4.4816 9.2029 129.3048 54.8942 35.1239 174.5145 10 T 4.9254 8.5119 123.9726 62.0679 69.6763 174.2887 11 V 4.5739 8.3760 119.1009 59.4443 36.3804 175.0320 12 K 4.5941 8.4492 120.8856 54.0313 34.5895 176.1372 13 R 4.4173 8.6591 120.5487 58.6572 29.9998 176.3464 14 G 4.0982 9.6529 113.5242 45.2887 0.0000 173.4290 15 E 4.1276 7.9736 119.0461 56.5990 30.6325 175.9667 16 N 5.3170 8.5792 119.8251 52.4171 40.3233 174.9502 17 V 4.5164 8.8435 115.2777 60.0568 36.0700 174.7847 18 T 5.5451 7.8937 118.3397 60.7283 72.7772 172.6698 *20 E 4.6229 8.5647 120.2773 57.1040 30.8528 176.5085 21 C 4.9183 9.4212 121.8505 55.7507 47.5121 173.3743 22 S 4.5525 8.4743 121.8901 57.6404 64.2469 172.7719 *24 S 4.4915 8.7207 110.6679 58.3595 64.3884 174.6513 25 K 4.3589 7.7944 116.4709 55.3891 32.2531 176.4285 26 V 3.8488 7.4348 119.9583 62.8390 32.0994 175.8176 27 K 4.0232 8.6405 127.3560 58.2466 32.6230 176.6901 28 D 4.5727 8.7236 120.7352 51.8726 42.7132 175.9266 29 K 3.5889 8.3227 127.4445 59.1603 32.1377 179.3766 30 N 4.6349 8.1018 115.3911 55.5594 38.6928 175.7056 31 K 4.5182 8.0677 116.9011 55.9027 33.6233 175.1469 32 L 4.9947 7.7414 123.5562 53.6019 43.7308 175.2408 33 A 5.4175 8.9589 126.1570 50.9267 23.3051 174.8868 34 W 5.4104 9.4898 119.7493 55.9122 31.6146 175.2813 35 Y 5.1082 9.6149 120.4725 56.2496 41.2980 174.3593 36 R 3.8466 8.7886 124.2572 54.1316 32.6332 174.3073 37 Q 4.5234 8.1887 128.1647 53.9757 30.9747 174.8312 38 S 4.3364 8.1854 122.7872 57.9737 64.4001 174.2448 39 F 4.5017 8.2513 121.7659 59.1230 39.0776 175.9791 40 G 3.9961 9.2305 112.6535 45.6137 0.0000 172.7415 41 K 4.7054 7.6191 117.3396 53.7029 35.5708 176.0962 42 V 3.8367 8.1546 120.2609 62.0656 32.0744 174.1701 43 P 4.7148 0.0000 0.0000 63.1118 32.1437 175.6044 44 Q 4.9369 9.0847 121.0043 53.8840 32.8906 174.3373 45 Y 4.1016 9.2349 124.1450 58.7221 39.0500 174.3454 46 F 4.8461 9.1126 128.0762 59.1623 41.7763 175.3033 47 V 4.6094 7.3707 116.1880 60.3350 34.1111 172.2430 48 R 5.4515 8.8728 119.8025 54.1797 32.7548 174.4248 49 Y 5.0021 8.8717 122.1249 58.8965 39.7324 175.0911 50 Y 4.6408 7.6913 125.4635 56.0706 42.9307 174.1623 51 S 4.0263 8.0699 122.7824 59.2625 62.1927 173.1705 52 S 4.5000 7.5470 118.6255 57.7190 64.8957 176.0814 53 N 4.5005 8.8413 117.7429 56.3181 38.4703 177.1873 54 S 4.1032 7.9672 112.0964 59.8364 63.6097 175.3675 55 G 4.4109 9.9089 108.3337 44.5217 0.0000 171.5807 56 Y 5.4842 6.8585 115.0897 55.8604 41.2362 174.1216 57 K 4.5440 9.3204 121.7335 54.8555 35.3625 175.5617 58 F 4.4732 9.2670 126.2870 57.0123 39.8401 175.4322 59 A 4.0705 8.7817 125.4089 51.6772 18.9865 178.2773 60 E 3.8433 9.0546 120.8052 59.6011 29.3817 178.7201 61 G 3.4194 7.6998 103.4019 46.3925 0.0000 173.0639 62 F 5.3208 7.8815 118.7304 57.2817 39.7737 175.3992 63 K 4.3223 8.1147 116.5365 56.2122 32.4338 176.8809 64 D 4.0679 7.8111 119.9855 54.4520 41.0972 177.5699 65 S 4.1311 8.3053 120.6732 60.6111 63.4580 175.4857 66 R 3.9672 8.1364 120.8830 58.4641 30.7214 176.4970 67 F 5.3406 7.2858 117.7738 56.3875 40.0614 176.1684 68 S 4.1277 8.6723 118.3822 58.1182 68.7606 174.6420 *70 T 4.4608 8.5657 116.4247 63.5640 69.8852 173.3264 71 V 5.1171 8.5498 126.2461 60.9921 33.9575 174.2863 72 N 4.9875 8.7961 124.0343 52.4219 39.4535 174.3621 73 D 4.5278 8.9030 116.5033 57.1385 41.1726 177.0483 74 Q 4.4934 8.8896 117.3780 56.0321 30.6192 176.0046 75 K 4.7649 7.8909 117.0508 54.7381 34.8781 175.4452 76 F 5.4231 9.1015 123.5495 56.9678 38.0560 173.6829 77 D 5.0093 8.6614 119.7269 52.8947 43.1500 177.3613 78 L 4.1161 7.9115 124.6775 53.4958 43.9603 174.5269 79 N 5.3490 8.9215 123.7569 51.4520 41.9229 173.5805 80 I 5.1310 8.5167 123.0582 59.6609 40.7226 174.3134 81 I 4.5238 8.6825 128.3604 59.7351 38.5864 176.0174 82 G 3.7252 8.8303 114.9750 46.1990 0.0000 173.7800 83 T 4.2941 7.9964 113.5542 62.3867 68.7386 172.8447 84 R 4.9476 9.4612 124.7082 53.9572 34.4474 176.1849 85 E 2.5400 8.2698 118.6646 59.2357 29.3530 179.2957 86 D 4.4470 7.7502 115.8046 55.2081 39.6063 176.5086 87 D 4.6471 8.2814 119.5940 55.0297 41.3446 177.0893 88 G 4.0077 8.0789 109.5703 44.8200 0.0000 174.9575 89 G 2.2059 6.7257 108.6557 44.6493 0.0000 170.4647 90 E 4.9913 7.5464 119.8922 54.5703 33.0755 174.8363 91 Y 4.6183 8.9046 121.5261 56.0220 41.0889 174.6608 92 F 5.5583 9.3297 122.7043 55.8564 42.7511 173.1724 93 C 4.8084 9.2663 123.9911 54.7837 46.2565 172.7248 94 G 4.4567 9.4950 112.7227 44.6628 0.0000 170.5753 95 E 5.2045 8.6563 122.3819 53.6927 32.2708 175.3513 96 V 4.0067 8.4860 128.2878 62.9225 32.3769 175.5689 97 E 4.4286 9.1082 126.0328 54.7898 31.6909 178.1052 98 G 3.8754 8.5436 118.8485 47.2713 0.0000 173.6990 99 N 4.5771 9.2305 122.5870 54.0114 39.3815 174.1491 100 T 4.6407 7.5623 108.1007 59.7689 72.2090 172.0041 101 I 4.5905 7.8386 121.2996 58.9278 40.4783 174.2439 102 K 4.3100 8.3725 129.4553 54.6205 34.1814 174.6407 103 F 5.1527 8.5871 126.7984 56.8015 39.5185 175.9171 104 T 4.4287 8.9027 113.6525 62.2856 70.4083 174.2198 105 S 4.7238 7.5947 115.1214 57.8014 66.4979 173.3087 106 G 4.7602 8.3948 105.2523 46.1740 0.0000 172.2186 107 T 5.3182 9.2188 117.7476 61.5253 72.7127 173.1547 108 R 4.7870 9.4829 127.2042 55.1892 31.6708 174.8190 109 L 5.0369 9.1302 130.9082 53.8496 43.2403 175.0873 110 Q 5.2579 9.1371 124.9285 54.3999 32.3369 175.9091 111 F 4.7397 8.9282 117.4284 56.9795 39.4548 175.5717 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 D 8.36 4.55 0.00 2.79 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 3 I 7.67 3.85 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 1.42 0.94 0.91 0.00 0.00 4 K 9.16 4.72 0.00 1.74 1.69 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.49 7.81 5 E 8.52 4.41 0.00 1.99 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 2.31 2.29 0.00 6 L 8.29 4.49 0.00 1.61 1.71 1.08 1.35 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 H 9.24 4.37 0.00 3.25 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.20 4.59 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 0.81 0.00 0.00 0.99 0.00 0.00 9 K 9.20 4.48 0.00 1.70 1.51 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.31 7.81 10 T 8.51 4.93 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 1.18 0.00 0.00 11 V 8.38 4.57 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 0.70 0.00 0.00 0.06 0.00 0.00 12 K 8.45 4.59 0.00 1.85 1.75 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.33 7.81 13 R 8.66 4.42 0.00 1.86 1.93 0.00 3.22 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 1.66 1.68 0.00 14 G 9.65 4.10 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 0.00 0.00 0.00 15 E 7.97 4.13 0.00 2.02 1.85 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 2.32 2.42 0.00 16 N 8.58 5.32 0.00 2.58 2.70 0.00 0.00 6.74 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 17 V 8.84 4.52 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 0.62 0.00 0.00 0.75 0.00 0.00 18 T 7.89 5.55 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 1.14 0.00 0.00 *20 E 8.56 4.62 0.00 1.97 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 2.43 2.34 0.00 21 C 9.42 4.92 0.00 3.05 3.46 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 22 S 8.47 4.55 0.00 3.97 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 *24 S 8.72 4.49 0.00 4.04 4.03 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 0.00 0.00 0.00 25 K 7.79 4.36 0.00 1.71 1.83 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 26 V 7.43 3.85 1.94 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 0.64 0.00 0.00 0.79 0.00 0.00 27 K 8.64 4.02 0.00 1.82 1.78 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.30 7.81 28 D 8.72 4.57 0.00 2.49 2.42 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 29 K 8.32 3.59 0.00 1.16 0.74 0.00 1.39 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 1.11 7.81 30 N 8.10 4.63 0.00 2.89 2.94 0.00 0.00 6.92 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 31 K 8.07 4.52 0.00 1.76 1.81 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.33 7.81 32 L 7.74 4.99 0.00 1.48 1.23 0.77 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.96 5.42 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 34 W 9.49 5.41 0.00 3.34 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 35 Y 9.61 5.11 0.00 3.16 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 36 R 8.79 3.85 0.00 0.67 0.84 0.00 2.41 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 37 Q 8.19 4.52 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 38 S 8.19 4.34 0.00 3.75 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 39 F 8.25 4.50 0.00 3.08 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 40 G 9.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 4.71 0.00 1.84 1.71 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.48 7.81 42 V 8.15 3.84 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 0.87 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.71 0.00 2.15 2.18 0.00 3.75 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 2.15 2.29 0.00 44 Q 9.08 4.94 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 45 Y 9.23 4.10 0.00 2.97 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 46 F 9.11 4.85 0.00 2.82 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 47 V 7.37 4.61 0.67 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 0.32 0.00 0.00 0.25 0.00 0.00 48 R 8.87 5.45 0.00 2.07 2.31 0.00 2.89 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 49 Y 8.87 5.00 0.00 2.73 3.05 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 50 Y 7.69 4.64 0.00 3.03 2.57 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 0.00 0.00 0.00 51 S 8.07 4.03 0.00 3.58 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 0.00 52 S 7.55 4.50 0.00 3.93 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 53 N 8.84 4.50 0.00 2.70 2.92 0.00 0.00 6.88 7.57 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 54 S 7.97 4.10 0.00 3.26 3.74 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 55 G 9.91 4.41 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 0.00 0.00 0.00 56 Y 6.86 5.48 0.00 2.99 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 57 K 9.32 4.54 0.00 1.37 1.50 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.63 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.13 1.41 7.81 58 F 9.27 4.47 0.00 3.00 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 59 A 8.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.05 3.84 0.00 1.95 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 2.26 2.32 0.00 61 G 7.70 3.42 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 0.00 62 F 7.88 5.32 0.00 3.03 2.99 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 63 K 8.11 4.32 0.00 1.69 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.34 7.81 64 D 7.81 4.07 0.00 2.18 1.54 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 65 S 8.31 4.13 0.00 3.91 3.86 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 66 R 8.14 3.97 0.00 1.38 2.04 0.00 3.34 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 67 F 7.29 5.34 0.00 1.85 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 0.00 0.00 0.00 0.00 68 S 8.67 4.13 0.00 3.95 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 *70 T 8.57 4.46 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 1.26 0.00 0.00 71 V 8.55 5.12 2.37 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 1.38 0.00 0.00 1.28 0.00 0.00 72 N 8.80 4.99 0.00 3.03 2.98 0.00 0.00 6.57 8.23 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 73 D 8.90 4.53 0.00 2.72 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 74 Q 8.89 4.49 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 75 K 7.89 4.76 0.00 2.01 1.79 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.58 7.81 76 F 9.10 5.42 0.00 2.98 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 77 D 8.66 5.01 0.00 2.61 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 78 L 7.91 4.12 0.00 0.27 0.22 0.75 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.92 5.35 0.00 2.58 2.59 0.00 0.00 6.39 7.01 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 80 I 8.52 5.13 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 1.09 0.00 0.00 81 I 8.68 4.52 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.96 0.00 0.00 82 G 8.83 3.73 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 0.00 0.00 0.00 83 T 8.00 4.29 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 1.40 0.00 0.00 84 R 9.46 4.95 0.00 1.79 1.77 0.00 3.17 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 85 E 8.27 2.54 0.00 1.77 1.70 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 2.19 1.67 0.00 86 D 7.75 4.45 0.00 2.80 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 87 D 8.28 4.65 0.00 2.98 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 88 G 8.08 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 0.00 0.00 0.00 89 G 6.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.55 4.99 0.00 1.48 1.54 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 2.27 2.24 0.00 91 Y 8.90 4.62 0.00 2.67 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 92 F 9.33 5.56 0.00 2.66 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 0.00 0.00 0.00 0.00 93 C 9.27 4.81 0.00 1.23 2.42 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 94 G 9.49 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 0.00 0.00 0.00 0.00 95 E 8.66 5.20 0.00 1.89 1.65 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 2.08 2.08 0.00 96 V 8.49 4.01 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 0.76 0.00 0.00 0.89 0.00 0.00 97 E 9.11 4.43 0.00 2.02 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 2.17 2.14 0.00 98 G 8.54 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 0.00 0.00 0.00 99 N 9.23 4.58 0.00 2.69 2.85 0.00 0.00 6.54 7.54 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 0.00 100 T 7.56 4.64 4.15 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 1.16 0.00 0.00 101 I 7.84 4.59 1.55 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 0.11 0.57 0.28 0.00 0.00 102 K 8.37 4.31 0.00 1.78 1.49 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.44 7.81 103 F 8.59 5.15 0.00 2.89 2.83 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 0.00 0.00 0.00 104 T 8.90 4.43 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 1.18 0.00 0.00 105 S 7.59 4.72 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 0.00 106 G 8.39 4.76 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 0.00 107 T 9.22 5.32 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 1.29 0.00 0.00 108 R 9.48 4.79 0.00 1.95 1.88 0.00 3.34 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 109 L 9.13 5.04 0.00 1.75 1.64 0.75 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.14 5.26 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 111 F 8.93 4.74 0.00 3.06 3.04 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 0.00 * Residues marked with a * may have inaccurate shift predictions.