NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 A 4.3524 8.2644 123.5755 51.8825 20.9067 176.8783 19 D 4.7025 7.8135 111.7984 52.1541 45.6271 173.1817 20 R 5.1731 8.8428 114.6418 54.5028 32.7616 174.4008 21 H 4.9437 9.4917 118.6261 54.4420 31.5432 173.2408 22 T 4.8578 8.5095 119.3277 61.8043 70.5656 173.9683 23 V 4.3844 8.6791 126.4412 61.0907 34.4074 174.4972 24 F 4.7261 9.1250 127.4349 56.5347 38.9279 175.6253 25 W 4.7070 9.0658 135.0000 56.1354 29.1597 174.6807 26 N 5.4287 8.2107 121.1043 51.0006 40.3459 175.7525 27 S 4.3275 9.5461 114.4661 60.0030 63.3255 175.1582 28 S 4.3612 8.0955 116.6740 59.2581 63.3721 173.6963 29 N 4.4910 8.3980 120.5050 52.4977 38.3828 173.6301 30 P 4.3126 0.0000 0.0000 65.3251 31.6479 179.0653 31 K 3.5653 7.6872 116.8708 58.7531 32.0674 178.1324 32 F 4.4248 7.7610 116.9783 59.1182 39.2256 177.6487 33 R 3.9147 8.0611 123.5895 59.7664 30.0268 177.8266 34 N 4.4916 8.1325 113.5686 52.5693 38.0685 178.3598 35 E 4.0693 7.9589 113.5382 57.8694 27.6546 174.5184 36 D 4.8397 7.6239 114.7075 52.7277 40.1310 174.7292 37 Y 4.4434 8.0494 122.2880 58.9388 39.5311 174.9042 38 T 5.1440 8.7030 120.8009 60.2002 70.7294 172.7013 39 I 4.5823 8.5085 121.6828 59.4056 40.7476 173.8370 40 H 5.2866 8.6667 120.9792 54.3334 30.5335 174.2010 41 V 4.5119 8.5520 115.6365 59.6564 36.1245 174.6541 42 Q 4.8675 8.8699 120.7661 53.7141 31.7068 175.5561 43 L 4.2218 8.2931 120.2513 57.0269 41.9296 177.8262 44 N 4.3507 8.9528 119.4685 53.2360 37.0847 174.4388 45 D 4.7482 7.7957 118.7318 54.5316 42.4568 174.7743 46 Y 5.1373 8.5742 117.7885 56.4053 41.0670 174.9156 47 V 4.7090 8.9315 122.9913 61.3561 34.3379 174.0335 48 D 5.0847 9.5588 129.3396 52.9074 42.3992 175.4063 49 I 4.5775 8.6125 126.3316 60.3354 39.0166 175.1828 50 I 4.6742 8.7994 128.4943 59.4675 38.9852 174.9741 51 C 5.0159 9.0270 125.3617 56.0177 40.5797 172.1937 52 P 4.5780 0.0000 0.0000 63.6564 32.0412 175.1303 53 H 5.2383 8.1968 121.7000 54.9340 33.0680 172.0450 54 Y 4.8323 8.2934 122.6166 56.5179 42.0407 175.3334 55 E 4.5881 8.4282 121.0852 55.4890 29.7508 176.7583 *58 S 4.1322 7.8788 113.2472 59.5956 63.8990 174.6317 59 V 4.2216 8.0195 118.0928 59.0249 33.8314 175.7533 60 A 4.1663 8.0204 123.4755 52.1025 19.1667 178.5045 61 D 4.2050 8.7708 120.0328 57.4668 41.0206 179.3049 62 A 3.9466 7.9346 119.6290 54.5334 18.4318 177.9108 63 A 4.2530 7.5274 117.0902 53.2539 19.3054 177.5182 64 M 3.5979 7.3117 116.8091 54.4441 32.3961 176.2652 65 E 4.2911 9.3765 124.7518 56.4731 30.5972 176.3990 66 Q 4.8284 8.5690 121.2431 54.5053 33.2477 173.8573 67 Y 5.2825 8.7435 119.1434 56.5706 43.2963 173.9309 68 I 4.4452 8.6507 122.8008 59.8317 39.4128 174.7821 69 L 4.7602 8.4775 127.5026 53.7744 43.4434 175.3475 70 Y 5.2099 9.3457 120.7936 56.0900 41.6549 174.3529 71 L 4.8517 8.8697 125.0690 53.5996 43.5056 175.8905 72 V 4.7311 8.7997 119.1184 59.4214 36.2105 175.4603 73 E 4.3851 8.6933 121.4651 56.0212 30.5528 177.5621 74 H 2.9315 8.9798 119.4735 59.5681 29.5548 176.6917 75 E 3.9288 8.1347 120.1578 59.4339 29.4146 178.4929 76 E 4.0249 8.1033 118.1215 59.1473 29.5103 178.4674 77 Y 4.0451 7.8745 119.6671 60.6645 38.6117 177.9232 78 Q 3.8404 8.0833 118.0828 59.1514 29.0226 178.8762 79 L 4.0405 7.7731 117.3488 55.0586 42.2098 176.0143 80 C 4.2004 7.6982 117.5667 56.9475 42.4879 172.9053 81 Q 4.5849 8.1795 115.8569 53.4470 32.7906 173.7697 82 P 4.2488 0.0000 0.0000 62.6392 32.2077 175.9226 83 Q 4.1936 9.2896 121.5825 58.0884 29.7010 175.7962 84 S 4.6186 7.8130 109.6007 56.6330 65.9345 174.6416 85 K 3.8825 8.9234 122.2587 60.0028 31.7997 178.2599 86 D 4.4835 7.6959 116.8036 57.1404 40.9106 177.4361 87 Q 4.2899 8.3511 117.0152 56.2653 29.2692 175.7607 88 V 3.5527 7.8107 118.7424 63.7331 31.7577 175.0263 89 R 4.4811 8.8028 127.9946 57.8777 31.3118 175.5515 90 W 4.4212 7.2554 125.7957 57.0103 34.2611 172.7874 91 Q 4.6893 7.4117 121.0809 53.9723 31.1602 177.6664 92 C 4.7960 9.3573 124.4783 55.0615 38.6982 173.8604 93 N 5.2773 7.7771 114.5049 51.6498 38.5630 176.5944 94 R 4.7124 7.6525 115.1197 54.9010 30.7898 174.3314 95 P 4.9593 0.0000 0.0000 64.3701 32.1929 178.6312 96 S 4.5927 7.8873 111.8312 57.4980 63.7599 173.4517 97 A 3.9812 7.9415 124.6767 54.0988 18.4064 180.6636 98 K 4.2204 8.7926 124.1648 57.8676 32.0227 175.0968 99 H 4.3800 8.2134 112.8062 56.1040 28.8150 173.4253 100 G 3.6722 7.1970 103.6671 43.1447 0.0000 172.0489 101 P 4.2825 0.0000 0.0000 61.9246 32.0676 176.2041 102 E 4.3244 8.5979 122.2531 56.3979 31.0834 175.4534 103 K 4.8223 8.4104 126.0895 54.9215 35.6098 174.7680 104 L 3.7478 8.6357 130.1727 53.8399 43.2455 175.5437 105 S 5.0761 8.2128 123.9763 57.1736 63.8033 173.3047 106 E 4.3634 8.9981 127.8823 54.4656 30.9023 174.5172 107 K 4.3129 8.4207 128.8642 54.7392 33.3334 177.3852 108 F 3.5540 8.3970 129.1529 56.5080 36.8334 175.2579 109 Q 4.5380 7.6694 119.9229 55.8720 30.0256 178.9699 110 R 4.3886 8.4266 120.8682 57.4817 30.5835 176.8388 111 F 5.3329 7.7990 114.6607 55.8349 42.5353 173.9302 112 T 4.7799 9.0431 121.7797 61.1507 70.6964 173.1066 113 P 4.3875 0.0000 0.0000 64.3288 32.2732 175.8844 114 F 4.7240 8.0228 122.5104 56.8973 39.9037 175.9932 115 T 3.8688 7.6782 122.6105 63.9081 67.3835 174.5115 116 L 4.2097 6.6054 118.8929 54.9586 42.2932 176.4598 117 G 4.0454 7.7328 108.3398 44.1812 0.0000 172.7438 118 K 4.3165 8.0957 119.5442 54.3485 34.1276 174.6857 119 E 4.4689 7.8912 122.7551 54.4477 32.1018 175.2386 120 F 4.5158 8.7403 121.5489 55.4455 42.3327 174.4684 121 K 4.9006 9.4662 122.1613 54.1039 35.8800 175.8204 122 E 4.0782 8.7342 123.0078 58.1682 29.8776 178.3904 123 G 3.9947 9.2449 112.0519 45.5009 0.0000 172.8184 124 H 4.8031 7.9173 116.4756 54.3724 31.5595 173.9351 125 S 5.0326 8.0026 114.9619 57.0290 65.8774 173.2101 126 Y 4.4603 8.6578 119.0580 56.3955 42.6153 174.0607 127 Y 5.3434 8.2490 117.4491 56.7380 42.3267 173.7697 128 Y 5.5858 9.5921 121.7763 56.3571 41.2722 174.8542 129 I 5.8126 9.0297 115.8991 59.4671 41.7943 173.8874 130 S 6.0802 8.9423 116.0486 55.6652 66.4601 173.2968 131 K 4.9910 8.7221 118.3253 54.0077 35.9525 174.2606 132 P 4.6326 0.0000 0.0000 62.6681 32.3674 176.8890 133 I 3.8156 8.2835 125.0716 60.5406 36.6992 175.5931 134 H 4.1108 8.5233 127.3784 56.5906 26.0184 174.6261 135 Q 4.5708 7.7187 114.9365 54.0075 33.1167 174.8340 136 H 4.1749 8.6808 116.1989 56.7977 28.9056 175.7661 137 E 4.5413 8.5152 125.5621 54.7424 28.4197 174.8015 138 D 4.5367 8.4379 124.8702 56.3615 41.5712 176.8705 139 R 4.5101 7.3247 115.7682 55.1259 32.7550 174.3275 140 C 4.4294 8.7491 124.4343 56.2802 38.8112 172.4446 141 L 4.5849 8.5056 127.1245 53.0926 42.9189 175.5798 142 R 5.6440 8.5924 119.3728 54.8908 33.3423 174.0877 143 L 4.9554 9.8246 121.0786 53.6188 46.1401 174.2398 144 K 4.8661 9.1493 127.4937 54.6763 34.6382 174.6613 145 V 4.6008 8.8241 127.9851 61.5191 33.8515 174.0830 146 T 4.8131 8.3368 125.1579 61.7970 70.8934 173.8142 147 V 4.4702 8.6925 127.7428 61.9291 32.5912 175.9153 148 S 4.6709 8.8562 123.9667 57.4254 64.7861 174.7771 149 G 4.3142 8.6882 107.2640 46.2791 0.0000 173.7915 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 18 A 8.26 4.35 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 19 D 7.81 4.70 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.84 5.17 0.00 1.80 1.93 0.00 2.78 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 21 H 9.49 4.94 0.00 2.94 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.51 4.86 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 0.75 0.00 0.00 23 V 8.68 4.38 2.15 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 0.99 0.00 0.00 0.85 0.00 0.00 24 F 9.13 4.73 0.00 3.05 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 25 W 9.07 4.71 0.00 3.62 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 26 N 8.21 5.43 0.00 3.22 3.07 0.00 0.00 5.89 7.64 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 27 S 9.55 4.33 0.00 4.05 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 28 S 8.10 4.36 0.00 4.14 3.97 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 29 N 8.40 4.49 0.00 2.91 3.16 0.00 0.00 7.06 7.05 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 30 P 0.00 4.31 0.00 2.11 2.04 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 31 K 7.69 3.57 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.27 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.17 7.81 32 F 7.76 4.42 0.00 3.18 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 33 R 8.06 3.91 0.00 1.76 2.08 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 34 N 8.13 4.49 0.00 2.69 2.80 0.00 0.00 6.92 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 35 E 7.96 4.07 0.00 2.15 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 0.00 2.28 2.26 0.00 36 D 7.62 4.84 0.00 2.89 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 37 Y 8.05 4.44 0.00 3.02 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 38 T 8.70 5.14 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 1.34 0.00 0.00 39 I 8.51 4.58 1.74 0.00 0.00 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 1.01 0.49 0.78 0.00 0.00 40 H 8.67 5.29 0.00 2.99 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.55 4.51 1.68 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 0.06 0.00 0.00 0.33 0.00 0.00 42 Q 8.87 4.87 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 43 L 8.29 4.22 0.00 1.62 1.61 0.93 1.16 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 44 N 8.95 4.35 0.00 2.84 2.94 0.00 0.00 7.06 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 45 D 7.80 4.75 0.00 2.73 2.56 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 0.00 46 Y 8.57 5.14 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 47 V 8.93 4.71 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 0.98 0.00 0.00 0.71 0.00 0.00 48 D 9.56 5.08 0.00 2.48 2.47 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 49 I 8.61 4.58 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.98 0.00 0.00 50 I 8.80 4.67 1.42 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.90 0.00 0.00 51 C 9.03 5.02 0.00 3.09 3.20 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 52 P 0.00 4.58 0.00 2.52 2.20 0.00 3.87 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 53 H 8.20 5.24 0.00 3.09 3.11 0.00 5.68 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 54 Y 8.29 4.83 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 55 E 8.43 4.59 0.00 2.04 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 2.20 2.28 0.00 *58 S 7.88 4.13 0.00 3.92 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 59 V 8.02 4.22 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 0.77 0.00 0.00 0.66 0.00 0.00 60 A 8.02 4.17 1.21 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 61 D 8.77 4.21 0.00 2.66 2.68 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 62 A 7.93 3.95 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 63 A 7.53 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.31 3.60 0.00 1.68 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.88 0.00 65 E 9.38 4.29 0.00 2.22 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 2.43 2.46 0.00 66 Q 8.57 4.83 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 67 Y 8.74 5.28 0.00 2.94 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 68 I 8.65 4.45 1.75 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 1.30 0.82 0.18 0.00 0.00 69 L 8.48 4.76 0.00 1.49 1.37 0.69 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.35 5.21 0.00 2.95 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 71 L 8.87 4.85 0.00 1.52 1.57 0.41 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.80 4.73 2.15 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 0.83 0.00 0.00 1.14 0.00 0.00 73 E 8.69 4.39 0.00 2.11 1.90 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 2.42 2.42 0.00 74 H 8.98 2.93 0.00 3.04 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.13 3.93 0.00 2.07 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 2.37 2.41 0.00 76 E 8.10 4.02 0.00 2.04 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 0.00 2.67 2.31 0.00 77 Y 7.87 4.05 0.00 2.95 2.64 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 0.00 78 Q 8.08 3.84 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 79 L 7.77 4.04 0.00 1.60 1.69 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 C 7.70 4.20 0.00 2.96 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 81 Q 8.18 4.58 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 82 P 0.00 4.25 0.00 1.63 0.51 0.00 3.56 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 83 Q 9.29 4.19 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 84 S 7.81 4.62 0.00 4.01 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 85 K 8.92 3.88 0.00 1.85 1.92 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.54 7.81 86 D 7.70 4.48 0.00 2.74 2.76 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 87 Q 8.35 4.29 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 88 V 7.81 3.55 2.16 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 0.56 0.00 0.00 1.01 0.00 0.00 89 R 8.80 4.48 0.00 1.99 2.15 0.00 3.54 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 90 W 7.26 4.42 0.00 3.34 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 91 Q 7.41 4.69 0.00 1.56 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.21 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 92 C 9.36 4.80 0.00 3.21 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 93 N 7.78 5.28 0.00 2.81 2.78 0.00 0.00 6.17 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 94 R 7.65 4.71 0.00 1.90 1.91 0.00 3.12 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 95 P 0.00 4.96 0.00 2.38 2.48 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 96 S 7.89 4.59 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 97 A 7.94 3.98 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 98 K 8.79 4.22 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.03 7.81 99 H 8.21 4.38 0.00 3.14 3.40 0.00 5.67 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 0.00 100 G 7.20 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.28 0.00 2.05 2.02 0.00 3.63 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 102 E 8.60 4.32 0.00 2.22 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 2.61 2.73 0.00 103 K 8.41 4.82 0.00 1.69 1.53 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.32 7.81 104 L 8.64 3.75 0.00 1.44 1.32 0.80 0.21 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 0.00 105 S 8.21 5.08 0.00 3.65 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 0.00 106 E 9.00 4.36 0.00 2.03 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 1.63 1.54 0.00 107 K 8.42 4.31 0.00 1.63 1.55 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.02 0.35 7.81 108 F 8.40 3.55 0.00 2.85 2.68 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 0.00 109 Q 7.67 4.54 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 110 R 8.43 4.39 0.00 1.56 1.36 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.00 111 F 7.80 5.33 0.00 3.03 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 0.00 112 T 9.04 4.78 4.49 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 1.39 0.00 0.00 113 P 0.00 4.39 0.00 2.26 2.22 0.00 3.84 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 2.08 2.00 0.00 114 F 8.02 4.72 0.00 3.02 3.03 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 0.00 115 T 7.68 3.87 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 0.92 0.00 0.00 116 L 6.61 4.21 0.00 1.31 1.74 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.73 4.05 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 0.00 0.00 0.00 118 K 8.10 4.32 0.00 1.45 0.77 0.00 0.77 0.00 0.00 1.11 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 1.13 7.81 119 E 7.89 4.47 0.00 1.65 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 2.12 2.19 0.00 120 F 8.74 4.52 0.00 2.88 2.68 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 0.00 121 K 9.47 4.90 0.00 1.49 1.61 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.26 7.81 122 E 8.73 4.08 0.00 2.06 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 2.55 2.33 0.00 123 G 9.24 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 0.00 124 H 7.92 4.80 0.00 3.34 2.85 0.00 5.76 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 0.00 125 S 8.00 5.03 0.00 3.46 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 0.00 126 Y 8.66 4.46 0.00 3.10 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 0.00 127 Y 8.25 5.34 0.00 3.15 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 0.00 128 Y 9.59 5.59 0.00 3.39 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 0.00 129 I 9.03 5.81 2.08 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 1.50 1.18 1.14 0.00 0.00 130 S 8.94 6.08 0.00 4.04 3.70 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 0.00 131 K 8.72 4.99 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.47 7.81 132 P 0.00 4.63 0.00 2.06 1.89 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 133 I 8.28 3.82 1.75 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 1.14 0.41 0.67 0.00 0.00 134 H 8.52 4.11 0.00 3.28 3.33 0.00 5.66 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 0.00 135 Q 7.72 4.57 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 136 H 8.68 4.17 0.00 3.16 3.46 0.00 5.68 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 0.00 137 E 8.52 4.54 0.00 1.99 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 2.40 2.42 0.00 138 D 8.44 4.54 0.00 2.74 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 0.00 139 R 7.32 4.51 0.00 1.74 1.76 0.00 3.24 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 140 C 8.75 4.43 0.00 2.98 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 0.00 141 L 8.51 4.58 0.00 1.55 0.50 0.41 0.06 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 0.00 142 R 8.59 5.64 0.00 2.11 1.95 0.00 2.21 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 143 L 9.82 4.96 0.00 2.13 1.94 0.90 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.15 4.87 0.00 1.93 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.05 7.81 145 V 8.82 4.60 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 0.33 0.00 0.00 1.16 0.00 0.00 146 T 8.34 4.81 4.04 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 1.19 0.00 0.00 147 V 8.69 4.47 2.39 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 1.08 0.00 0.00 1.11 0.00 0.00 148 S 8.86 4.67 0.00 3.90 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 0.00 149 G 8.69 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.