NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3586 0.0000 0.0000 62.5491 32.6293 175.0188 3 R 4.2775 8.3518 118.5930 54.0980 31.9664 174.1926 4 A 4.5803 8.1574 129.8510 49.7341 19.1380 175.2756 5 K 4.1315 8.1938 119.7305 56.9557 33.3902 178.3268 6 T 3.7698 8.2126 117.4080 66.1193 69.6211 176.4761 7 G 3.7428 8.0012 111.1382 45.8186 0.0000 175.8141 8 V 3.6292 8.4539 118.6296 64.8434 31.7355 179.0374 9 V 3.5990 7.7496 120.0132 65.7640 31.2196 178.0017 10 R 3.7837 7.9434 117.8977 59.5630 30.1275 177.9907 11 R 3.8903 8.1198 118.0529 59.9536 29.8964 178.1015 12 R 3.9123 7.6551 116.7131 59.1980 30.3205 178.9655 13 K 3.9296 8.0406 118.1221 60.0799 32.0770 178.8418 14 H 4.2164 8.3497 116.4335 58.8397 28.7848 177.7378 15 K 3.9439 8.6792 120.9337 60.2112 31.7403 179.0363 16 K 3.9067 7.8472 118.5076 59.4671 32.3437 179.0733 17 I 3.8670 7.5983 119.4383 64.2942 37.0546 178.3403 18 L 3.9490 8.3202 120.2708 57.9281 41.6154 179.4710 19 K 3.8055 8.5318 118.4991 59.8733 31.8651 178.8673 20 L 4.1528 7.7195 116.3945 56.2326 42.0019 178.0612 21 A 4.0454 8.1235 120.1950 50.3913 19.0923 176.8184 22 K 3.8795 6.9287 118.0110 58.0256 32.3093 177.3333 23 G 3.9860 8.8323 111.9569 45.4117 0.0000 173.1415 24 Y 4.7468 7.2593 117.0460 57.2384 38.7197 175.0727 25 W 4.3572 9.0084 131.5822 58.4582 32.9769 176.4852 26 G 3.7819 7.9243 113.8717 46.1064 0.0000 176.5045 27 L 4.0592 8.9517 127.3482 57.5041 41.8594 178.8628 28 R 4.2139 8.5525 117.4171 57.9667 30.0338 177.6570 29 S 4.8228 8.2328 110.3956 57.5731 63.8088 174.4930 30 K 4.3779 7.9864 118.4455 55.8658 33.7406 175.6331 31 S 4.5114 7.8857 116.4488 58.0300 62.5255 176.3198 *32 F 4.1360 7.6436 127.1038 58.7044 39.0989 173.8650 33 R 4.6429 9.5659 112.5501 56.6230 32.7763 177.5641 34 K 3.8760 8.7015 118.4989 59.3403 31.9374 178.4556 35 A 4.5784 8.0969 121.6061 54.7996 17.9105 179.0871 36 R 3.5094 7.8486 115.0850 59.6679 30.3063 178.0766 37 E 3.8165 7.8266 117.4905 59.7900 29.5532 179.1635 38 T 3.7514 7.8541 115.7374 67.0653 68.4117 176.4774 39 L 4.1365 8.0982 120.7828 57.4605 41.5434 179.5979 40 F 4.4367 7.8236 117.7946 60.4885 38.8704 177.1455 41 A 3.6216 8.1195 119.7203 55.3144 18.0514 179.0677 42 A 4.1464 8.1782 118.8714 55.4086 18.5177 179.7639 43 G 3.9876 8.3420 104.0673 48.3125 0.0000 175.4828 44 N 4.3510 8.1897 118.8743 56.1028 38.7206 176.9390 45 Y 4.3825 7.7110 118.2881 61.4303 37.8907 178.6090 46 A 4.0294 8.6002 121.6190 55.7164 18.3638 178.4413 47 Y 3.9791 8.3105 116.6652 61.1104 38.7255 178.3172 48 A 4.1626 9.5748 121.8592 55.9572 18.2544 179.1112 49 H 4.4389 8.7551 114.0295 58.2353 28.9292 178.0254 50 R 3.7415 8.6402 119.7805 58.9076 29.9925 178.7214 51 K 4.0881 7.9293 118.8330 59.1752 32.2860 179.7207 52 R 3.7772 8.2816 118.3499 59.2386 30.0875 178.6908 53 R 3.8189 9.0946 119.5105 59.4642 30.1140 178.6352 54 K 4.0556 8.2307 118.2175 59.5757 31.9464 179.6189 55 R 3.9029 7.8501 117.8555 59.0069 30.0598 178.0711 56 D 4.1147 8.2562 118.2690 57.6130 41.0926 178.6542 57 F 3.5473 7.7629 117.8043 60.7016 38.4535 177.0369 58 R 4.0337 7.5582 115.6551 60.0380 29.9612 178.5918 59 R 3.9028 8.4981 117.1451 59.8004 30.2227 178.6842 60 L 3.8694 7.6812 117.0540 57.3195 42.0616 179.4065 61 W 4.4460 9.4184 115.5442 60.4398 28.0754 180.8109 62 I 3.1660 6.2065 122.1231 62.8009 37.8588 176.3341 63 V 3.7999 7.8732 117.0823 66.9969 31.4416 178.0610 64 R 3.8567 8.5588 117.1707 59.6315 29.8677 178.5160 65 I 3.7374 7.8964 118.2740 65.5952 37.3929 177.0198 66 N 4.3581 10.0449 116.8557 56.5869 38.3476 176.3596 67 A 3.9089 8.3740 123.4592 55.6406 19.0237 179.2249 68 A 3.8269 8.3141 119.8314 55.1472 18.3633 179.5110 69 C 4.2108 8.8656 112.5929 61.2204 29.3149 175.3813 70 R 4.7544 8.2562 119.6383 56.5661 29.5305 176.9605 71 Q 4.2706 8.4329 118.6944 57.3863 29.3968 175.4016 72 H 4.9488 8.2378 117.2536 56.4100 29.4121 175.3602 73 G 3.9360 8.1805 103.7195 45.4535 0.0000 171.4555 74 L 4.2378 7.5230 119.4185 53.0841 45.0333 173.6626 75 N 4.6197 8.8080 123.9445 53.8029 39.7654 174.7446 76 Y 4.3933 8.7554 126.3284 61.2761 38.8744 178.4955 77 S 4.7536 8.7375 114.4232 62.5014 62.6596 176.6513 78 T 3.9214 7.9282 113.5049 63.6431 68.3949 175.8472 79 F 4.0787 9.0972 123.4234 61.2036 39.6280 176.7835 80 I 3.3535 8.4346 120.0070 64.6920 36.9599 177.7928 81 H 3.8472 8.1346 118.9595 59.1789 29.5011 176.4741 82 G 3.7380 7.9815 106.7158 44.5556 0.0000 174.6919 83 L 3.9833 8.0091 121.9418 56.3605 42.5030 178.0997 84 K 3.7301 7.8030 117.4088 59.9684 32.0418 178.0327 85 K 3.9974 7.7132 116.9473 59.3552 32.0833 179.0303 86 A 4.0766 7.6774 119.5445 53.2788 18.1672 178.1633 87 G 3.7667 7.9247 104.9105 46.1096 0.0000 175.0146 88 I 4.0084 7.2502 113.7607 59.0597 36.5723 176.6043 89 E 4.3470 7.7423 130.6779 56.9850 29.3774 175.2386 90 V 4.0350 6.9842 126.6221 62.2454 32.3176 178.7581 91 D 3.5845 9.1507 110.9608 50.5311 43.9844 170.1423 92 R 3.7127 7.4747 124.7337 55.7906 32.4145 177.1028 93 K 3.9849 8.8215 124.3418 59.8609 32.4972 177.9517 94 N 2.0000 7.6544 115.4365 55.3466 38.7946 175.0875 95 L 4.2610 8.4626 116.4751 54.5555 41.9907 176.5130 96 A 4.9954 7.5127 121.4038 51.6267 18.8122 178.9873 97 D 4.5093 7.9035 122.1371 56.5344 40.3617 178.2994 98 L 3.7804 7.5939 120.0810 57.2053 41.5445 178.6881 99 A 3.1706 7.9689 119.3795 54.8937 18.1067 179.1391 100 V 3.7061 8.1502 116.2049 64.5697 32.5039 176.3960 101 R 4.0542 7.5521 117.9023 57.2320 31.3127 176.1133 102 E 3.9315 8.6386 113.4861 56.8713 27.9402 173.7595 103 P 4.6512 0.0000 0.0000 65.6025 31.8616 178.4553 104 Q 3.9668 8.0260 118.4982 59.2687 28.0876 178.4992 105 V 3.8280 7.4671 117.8413 65.4377 31.3165 177.7217 106 F 4.2974 8.1112 119.8874 60.8840 39.4660 176.8268 107 A 4.0617 8.5502 120.7723 55.4163 18.1915 179.2732 108 E 4.0966 8.6705 117.6299 58.9311 29.2930 178.8830 109 L 4.0308 7.2270 119.5728 57.4750 41.8473 179.2124 110 V 3.8678 7.9064 118.5636 66.0671 31.4993 177.9885 111 E 4.0692 8.6726 118.8600 59.4374 29.1313 179.4921 112 R 4.2079 7.8817 117.7944 58.5049 29.6048 178.7717 113 A 4.6994 7.3957 122.1207 54.4158 18.6245 179.3678 114 K 3.9756 8.7247 117.4337 59.1968 32.2913 179.4217 115 A 3.9092 8.7185 120.9168 55.0054 18.4542 177.8719 116 A 4.5782 7.5153 118.3315 52.0315 19.7314 178.1127 117 Q 4.5155 8.0605 118.2722 57.6723 35.4903 175.4276 118 G 3.7439 7.8435 112.2312 45.7472 0.0000 173.4213 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 P 0.00 4.36 0.00 2.19 2.13 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.35 4.28 0.00 1.82 1.82 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 4 A 8.16 4.58 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 K 8.19 4.13 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.21 3.77 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 1.22 0.00 0.00 7 G 8.00 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 0.00 0.00 0.00 8 V 8.45 3.63 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 0.77 0.00 0.00 0.93 0.00 0.00 9 V 7.75 3.60 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 0.98 0.00 0.00 0.93 0.00 0.00 10 R 7.94 3.78 0.00 1.93 1.93 0.00 3.35 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 11 R 8.12 3.89 0.00 1.92 2.10 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 12 R 7.66 3.91 0.00 2.24 1.95 0.00 3.22 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 1.65 1.98 0.00 13 K 8.04 3.93 0.00 1.83 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 14 H 8.35 4.22 0.00 3.38 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.68 3.94 0.00 1.93 2.11 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 16 K 7.85 3.91 0.00 1.96 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.48 7.81 17 I 7.60 3.87 1.88 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 1.52 0.81 0.89 0.00 0.00 18 L 8.32 3.95 0.00 1.77 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.53 3.81 0.00 1.96 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.61 7.81 20 L 7.72 4.15 0.00 1.85 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.12 4.05 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 22 K 6.93 3.88 0.00 1.75 1.69 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.48 7.81 23 G 8.83 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 24 Y 7.26 4.75 0.00 3.11 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 25 W 9.01 4.36 0.00 3.54 2.94 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 26 G 7.92 3.78 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 0.00 0.00 0.00 27 L 8.95 4.06 0.00 1.76 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.55 4.21 0.00 2.29 2.07 0.00 3.11 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 29 S 8.23 4.82 0.00 3.93 4.16 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 30 K 7.99 4.38 0.00 1.71 1.83 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.29 7.81 31 S 7.89 4.51 0.00 3.84 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 *32 F 7.64 4.14 0.00 2.36 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 0.00 0.00 0.00 0.00 33 R 9.57 4.64 0.00 1.93 2.13 0.00 2.77 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 34 K 8.70 3.88 0.00 1.91 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.63 7.81 35 A 8.10 4.58 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 36 R 7.85 3.51 0.00 1.70 1.90 0.00 3.25 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 37 E 7.83 3.82 0.00 2.11 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 2.31 2.59 0.00 38 T 7.85 3.75 4.30 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 0.00 0.00 0.00 0.25 0.00 0.00 39 L 8.10 4.14 0.00 1.70 1.67 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.82 4.44 0.00 3.16 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 41 A 8.12 3.62 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 42 A 8.18 4.15 1.53 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 43 G 8.34 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 44 N 8.19 4.35 0.00 2.55 2.75 0.00 0.00 7.07 7.04 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 45 Y 7.71 4.38 0.00 3.11 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 46 A 8.60 4.03 1.48 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 0.00 0.00 0.00 47 Y 8.31 3.98 0.00 3.15 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 48 A 9.57 4.16 1.48 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 0.00 0.00 0.00 49 H 8.76 4.44 0.00 3.31 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.64 3.74 0.00 1.92 1.87 0.00 3.11 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 51 K 7.93 4.09 0.00 1.94 1.80 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.55 7.81 52 R 8.28 3.78 0.00 1.86 1.88 0.00 3.19 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 53 R 9.09 3.82 0.00 1.81 1.97 0.00 3.35 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 54 K 8.23 4.06 0.00 2.04 1.89 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.58 7.81 55 R 7.85 3.90 0.00 1.79 1.94 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 56 D 8.26 4.11 0.00 2.62 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 0.00 0.00 0.00 57 F 7.76 3.55 0.00 2.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 4.03 0.00 2.10 1.98 0.00 3.19 0.00 0.00 3.23 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 59 R 8.50 3.90 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 60 L 7.68 3.87 0.00 1.41 1.68 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 W 9.42 4.45 0.00 3.77 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 62 I 6.21 3.17 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.68 0.46 0.00 0.00 63 V 7.87 3.80 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 1.01 0.00 0.00 0.94 0.00 0.00 64 R 8.56 3.86 0.00 1.91 1.97 0.00 3.49 0.00 0.00 3.25 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 65 I 7.90 3.74 2.42 0.00 0.00 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 1.77 0.91 1.16 0.00 0.00 66 N 10.04 4.36 0.00 2.89 2.89 0.00 0.00 7.16 8.03 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 67 A 8.37 3.91 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 68 A 8.31 3.83 0.80 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 0.00 0.00 69 C 8.87 4.21 0.00 2.70 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 70 R 8.26 4.75 0.00 2.05 2.14 0.00 3.11 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 71 Q 8.43 4.27 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.22 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 72 H 8.24 4.95 0.00 3.32 3.30 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.18 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 L 7.52 4.24 0.00 1.90 1.74 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.81 4.62 0.00 2.94 2.92 0.00 0.00 6.72 7.48 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 76 Y 8.76 4.39 0.00 3.24 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 77 S 8.74 4.75 0.00 4.19 4.31 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 78 T 7.93 3.92 4.30 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 0.00 0.00 0.00 1.25 0.00 0.00 79 F 9.10 4.08 0.00 3.04 3.17 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 80 I 8.43 3.35 1.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.82 0.00 0.00 81 H 8.13 3.85 0.00 3.22 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.98 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 0.00 0.00 0.00 83 L 8.01 3.98 0.00 1.40 1.39 0.02 -0.19 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 84 K 7.80 3.73 0.00 1.64 1.90 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 85 K 7.71 4.00 0.00 1.73 1.74 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.26 7.81 86 A 7.68 4.08 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.92 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 88 I 7.25 4.01 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 0.82 0.00 0.00 89 E 7.74 4.35 0.00 1.92 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 2.27 2.28 0.00 90 V 6.98 4.03 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 1.01 0.00 0.00 0.87 0.00 0.00 91 D 9.15 3.58 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.47 3.71 0.00 2.00 1.89 0.00 3.10 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 93 K 8.82 3.98 0.00 2.22 2.25 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.85 1.88 7.81 94 N 7.65 2.00 0.00 1.44 2.27 0.00 0.00 6.92 7.78 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 95 L 8.46 4.26 0.00 1.51 1.55 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.51 5.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.90 4.51 0.00 2.83 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 98 L 7.59 3.78 0.00 1.94 2.00 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.97 3.17 0.91 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 0.00 100 V 8.15 3.71 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 0.86 0.00 0.00 0.90 0.00 0.00 101 R 7.55 4.05 0.00 1.92 1.83 0.00 3.40 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 102 E 8.64 3.93 0.00 2.22 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 0.00 2.31 2.24 0.00 103 P 0.00 4.65 0.00 2.30 2.29 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 104 Q 8.03 3.97 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 105 V 7.47 3.83 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 1.01 0.00 0.00 0.96 0.00 0.00 106 F 8.11 4.30 0.00 3.34 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 0.00 107 A 8.55 4.06 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 0.00 108 E 8.67 4.10 0.00 2.01 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 2.35 0.00 109 L 7.23 4.03 0.00 1.98 1.48 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.91 3.87 2.23 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 1.20 0.00 0.00 0.90 0.00 0.00 111 E 8.67 4.07 0.00 2.10 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 2.45 2.48 0.00 112 R 7.88 4.21 0.00 1.86 1.91 0.00 3.23 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 113 A 7.40 4.70 1.18 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 0.00 0.00 114 K 8.72 3.98 0.00 1.78 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 115 A 8.72 3.91 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 0.00 116 A 7.52 4.58 1.28 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 0.00 0.00 117 Q 8.06 4.52 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 118 G 7.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.