NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6616 8.2227 119.5650 53.1465 43.1111 177.0798 4 K 3.8720 8.0112 118.5054 58.5529 32.6059 178.2685 5 F 2.8230 8.8381 121.6677 60.9955 39.8275 176.1009 6 N 3.8920 8.0530 115.4926 56.3953 38.1114 177.2674 7 Q 3.9162 7.6290 118.1092 58.6505 29.0912 178.2359 8 F 4.1056 8.0975 121.7828 61.4388 39.4054 177.1294 9 I 3.2506 7.6461 118.3709 63.8044 37.4556 177.3789 10 N 4.2681 7.4822 115.5501 55.3401 38.3609 176.9129 11 R 3.9547 7.4118 118.9811 57.7905 30.4271 177.5991 12 V 3.7382 6.9592 109.6479 60.9985 32.9343 175.3855 13 L 4.5059 7.4618 122.2017 52.8126 43.0935 176.0906 14 S 4.3860 8.5945 120.3028 58.8482 63.0318 173.1082 15 H 5.0502 8.7802 118.8655 55.5647 28.9953 174.9315 16 E 4.4946 8.4341 118.5449 55.6522 32.4533 175.5828 17 G 3.2374 5.5172 105.6086 44.2639 0.0000 175.7309 18 G 3.8090 8.2508 117.7812 44.1002 0.0000 171.6707 19 Y 4.8056 7.9616 126.2819 56.2622 38.9577 174.6466 *22 H 4.4251 7.9227 118.6923 56.1829 31.7010 173.6030 *28 G 3.7746 7.7227 107.7447 44.7244 0.0000 171.7527 29 E 3.8994 8.3299 120.8818 56.7395 29.9973 175.8269 30 T 5.0619 7.9676 122.0643 61.8909 71.8427 172.6097 31 N 5.0028 9.0291 122.0509 53.4270 42.2300 174.2680 32 W 3.8365 9.0363 123.3156 57.8238 27.3400 175.6355 33 G 4.0194 8.4773 103.5715 45.9416 0.0000 173.9401 34 I 4.3251 7.9513 122.3303 59.7886 38.5318 175.8430 35 T 4.5259 8.2130 115.8986 60.8691 71.1999 175.5091 36 K 4.0083 8.5203 124.9347 60.3974 32.0864 180.0396 37 R 3.9531 7.9286 120.3449 61.7151 29.1441 180.9278 38 T 3.9467 7.8349 116.6337 66.2870 68.4520 176.4325 39 A 4.0609 8.1517 122.5745 55.5319 18.5974 179.7716 40 Q 4.1291 8.6414 116.6595 59.0064 28.5919 178.6129 41 A 4.2839 8.1748 120.1619 53.6818 18.3575 177.6181 42 N 4.8188 7.4802 112.7634 52.8547 39.2879 175.7524 43 G 3.8123 8.2520 105.5218 45.5508 0.0000 173.7401 44 Y 4.2993 7.9171 121.2330 56.8073 37.9720 174.2040 45 N 4.8180 8.2621 123.7565 52.8238 39.4602 175.3793 46 G 3.7245 6.3137 108.5291 43.9867 0.0000 174.0263 47 S 4.3205 8.1863 115.5786 58.6304 63.1724 175.1947 *49 R 3.6431 8.5381 114.3421 55.9974 31.2137 171.5439 50 A 4.1692 7.5540 120.8906 51.6400 18.0182 177.2805 *52 T 4.2675 8.0618 112.3993 62.0609 71.3351 174.7034 53 R 2.5100 7.8302 120.1346 58.9944 29.9036 178.2571 54 E 3.8897 7.8042 117.9315 59.3621 29.5093 179.1488 55 Q 3.9676 7.9148 117.7093 58.8104 28.7636 178.5785 56 A 3.8518 7.6955 121.7429 55.2363 18.3338 179.7805 57 I 4.0237 7.7891 118.2897 64.6555 37.0284 178.6288 58 S 4.2231 8.2599 114.0553 61.2864 62.1946 176.3489 59 I 3.7411 7.8390 122.5826 64.7086 36.9089 178.0200 60 Y 4.6409 8.5761 117.9843 61.0647 37.6194 178.4887 61 R 3.0636 8.6906 120.1965 59.2222 29.9789 178.7265 62 K 4.1291 7.8541 117.6958 59.4443 32.1006 179.3533 63 A 4.0750 8.5928 119.9716 54.6571 18.5464 177.5246 64 F 5.2471 8.7985 117.4016 59.8986 40.9305 177.4656 65 W 4.0473 8.4027 126.6696 60.6786 30.7857 178.2689 66 E 3.8419 8.5948 118.7269 59.2609 28.7972 179.2283 67 R 3.6251 7.5336 117.5233 59.2712 30.1123 176.7199 68 Y 4.4675 7.7104 111.9328 56.9110 38.3880 175.5568 69 R 3.6960 7.7186 117.9180 55.8879 28.1721 178.1306 70 A 3.6620 7.1351 120.5407 54.3837 18.5269 179.5511 71 D 3.4713 6.3742 115.1533 55.4904 39.9567 176.8138 72 Q 4.0953 7.1907 120.8626 54.6190 28.3059 174.6273 *74 P 4.1520 0.0000 0.0000 61.8734 34.1520 176.6387 75 E 3.7755 8.7205 122.1866 59.6718 29.1815 179.2431 76 A 4.1807 7.9954 119.9646 55.1188 18.3639 179.6937 77 V 3.5525 7.6690 116.2265 66.0066 31.6620 177.9230 78 A 4.3493 8.3763 120.9276 55.2814 18.2598 179.3616 79 F 4.5591 8.4836 116.5660 61.3873 39.0850 178.1154 80 Q 4.2596 8.1979 117.0097 58.8480 28.4464 178.4467 81 F 4.5215 8.8977 122.3775 61.1778 39.4242 177.0036 82 F 3.2429 8.8753 120.6326 60.9668 39.1972 176.3986 83 D 4.2773 8.2904 117.4325 57.4772 41.0274 178.1932 84 A 4.0568 8.2586 121.0201 55.3104 18.4269 179.2121 85 C 3.7578 7.8928 115.4169 63.0111 27.8589 176.6928 86 V 3.4569 6.8910 118.0578 65.6947 31.0821 177.2784 87 N 4.4510 7.8449 115.9185 56.4050 39.0821 175.9129 88 H 4.9002 8.5001 114.8235 54.3521 30.5789 175.8278 89 G 4.1793 7.7604 108.8439 45.6723 0.0000 174.3614 90 Y 3.9515 9.3548 120.3598 60.9124 38.1494 179.1050 91 G 3.8489 8.3606 106.1443 47.9467 0.0000 175.2586 92 N 4.2411 8.1120 117.0917 55.9926 38.7221 176.8828 93 A 4.2451 7.8656 120.5531 55.1808 18.7170 179.1884 94 A 4.1684 8.5873 119.7303 55.1571 18.4321 180.5727 95 R 4.2935 7.8868 116.2749 56.3134 30.3305 178.8283 *97 L 4.3296 7.9440 122.0929 55.3609 44.1764 178.6225 98 Q 3.9763 8.4359 117.6934 59.0896 29.1304 178.7513 99 R 3.9114 8.4979 117.0460 59.2775 30.3231 178.9476 100 A 3.9853 8.1816 118.8988 55.1128 18.4458 177.9805 101 A 4.1719 8.0377 116.1171 52.2882 18.7374 177.5723 102 G 3.8925 8.1153 103.8165 46.5760 0.0000 174.1500 103 V 4.5293 7.4889 111.0556 57.8556 34.9841 174.1687 104 P 4.2998 0.0000 0.0000 63.3845 31.9433 177.4452 105 D 4.8609 8.4040 123.9318 52.2231 37.9681 175.8169 106 D 4.5746 7.9446 118.8173 53.5874 40.4047 178.4398 107 G 3.9335 8.7567 107.8798 45.8977 0.0000 173.6487 108 V 4.2594 8.0120 119.5866 60.9969 32.4362 176.0166 109 I 4.1032 8.3829 129.6640 60.3952 36.0778 176.4952 110 G 4.2308 7.7707 113.9317 43.2900 0.0000 170.3443 111 A 3.9320 8.3968 120.7398 55.1518 18.5665 180.1407 112 V 3.4836 7.6979 116.2212 66.3024 31.5895 178.1884 113 S 4.0646 7.9651 114.2000 61.7325 62.7606 176.6366 114 L 3.8721 8.1435 121.8871 57.4011 41.3710 179.4063 115 K 3.8342 8.4572 119.8908 59.5620 32.0023 178.7440 116 A 3.9874 7.8871 120.8121 55.1277 18.0429 179.6802 117 I 3.5885 7.6830 117.5883 64.5215 37.2795 177.9768 118 N 4.5312 7.9693 115.3784 55.2376 38.6546 177.1860 119 S 4.3452 7.7651 115.6559 59.6443 63.5505 175.0042 120 L 4.1617 6.9285 120.8740 53.4680 42.2332 175.7117 121 P 4.2446 0.0000 0.0000 62.8632 32.2877 176.9155 122 E 3.9354 8.9850 123.4503 59.8424 29.4497 178.8006 123 N 4.4030 8.1543 115.6587 56.1802 38.6399 177.0206 124 D 4.3462 8.0654 120.0186 57.2140 41.0361 178.2137 125 L 3.9806 7.9650 120.7176 58.3546 42.0237 179.0726 126 L 4.2277 8.1862 118.8772 57.6591 41.4833 179.4298 127 L 4.0192 8.2533 119.1758 58.1071 41.5859 179.9140 128 R 3.9747 8.1253 117.8457 59.0295 29.8873 178.9046 129 F 4.2744 8.8652 120.8710 61.5727 39.3812 176.9389 130 N 4.1096 8.5519 116.0008 56.1934 38.3063 177.2455 131 A 4.0284 8.2461 122.2618 55.2076 18.4465 179.5839 132 E 3.9788 8.4336 117.2527 59.4869 29.4395 179.7345 133 R 3.8745 7.9823 118.3477 59.1407 30.1240 178.8079 134 L 4.3439 8.3551 120.4249 58.4496 41.9250 179.2366 135 V 3.6468 7.7966 116.8411 65.7554 31.8657 177.5151 136 F 4.2275 8.3382 120.4980 61.6184 39.2043 176.6206 137 Y 3.8709 8.4961 120.0819 60.5453 38.6553 177.4234 138 T 4.0077 8.1005 108.3821 62.9181 69.1864 175.0325 139 K 4.2521 7.1415 119.5225 56.5549 32.3293 177.5287 140 L 3.6575 6.5628 120.5174 57.1496 42.3501 178.1766 *149 G 4.0362 7.8371 106.1787 45.5708 0.0000 174.5533 150 W 3.8713 8.2981 129.0680 60.1620 30.7555 177.9937 151 V 3.7425 8.1652 117.6967 66.1886 31.1942 177.5234 152 R 3.9165 8.1026 117.8413 59.7092 29.7847 178.5157 153 R 3.7996 7.7814 117.6561 59.0958 30.0465 179.1885 154 V 3.2313 7.2282 117.8164 65.6331 31.4139 177.7155 155 A 3.9520 8.2948 120.9473 55.5499 18.0800 179.7146 156 Q 3.9711 7.9484 115.8183 58.9362 28.6930 178.6012 157 N 4.3146 7.9349 117.3231 56.3087 38.3284 177.3905 158 L 4.0220 7.5838 119.3685 57.6791 42.0069 179.2893 159 I 3.8429 7.8402 119.7541 64.7806 36.9243 177.9528 160 H 4.0862 8.5323 119.0100 59.0996 29.5050 176.5139 161 A 4.3284 7.9608 120.0205 53.4085 18.4999 178.3849 162 S 4.5388 7.6456 112.2529 56.9549 63.7325 174.2338 163 A 3.9971 7.2670 128.5062 53.0214 18.7386 178.3142 164 D 4.5450 8.5722 119.9579 53.3510 40.0341 174.4060 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 3 D 8.22 4.66 0.00 2.62 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 4 K 8.01 3.87 0.00 2.06 2.14 0.00 1.85 0.00 0.00 2.12 0.00 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.87 1.74 7.81 5 F 8.84 2.82 0.00 1.89 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 6 N 8.05 3.89 0.00 2.68 2.73 0.00 0.00 7.08 7.30 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 7 Q 7.63 3.92 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 8 F 8.10 4.11 0.00 2.97 2.61 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 9 I 7.65 3.25 0.79 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 1.36 1.00 0.44 0.00 0.00 10 N 7.48 4.27 0.00 2.70 2.75 0.00 0.00 7.05 7.12 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 11 R 7.41 3.95 0.00 1.67 1.53 0.00 3.14 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 12 V 6.96 3.74 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 0.10 0.00 0.00 -0.28 0.00 0.00 13 L 7.46 4.51 0.00 1.31 1.49 1.25 0.81 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 14 S 8.59 4.39 0.00 3.90 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 15 H 8.78 5.05 0.00 3.23 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.43 4.49 0.00 1.88 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 2.20 2.16 0.00 17 G 5.52 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 0.00 0.00 0.00 18 G 8.25 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 0.00 0.00 0.00 19 Y 7.96 4.81 0.00 2.83 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 *22 H 7.92 4.43 0.00 2.88 2.97 0.00 5.81 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 *28 G 7.72 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 29 E 8.33 3.90 0.00 2.07 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 2.49 2.54 0.00 30 T 7.97 5.06 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 1.24 0.00 0.00 31 N 9.03 5.00 0.00 2.92 2.78 0.00 0.00 7.18 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 32 W 9.04 3.84 0.00 3.56 3.43 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 33 G 8.48 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 0.00 0.00 0.00 0.00 34 I 7.95 4.33 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.61 0.81 0.00 0.00 35 T 8.21 4.53 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 1.25 0.00 0.00 36 K 8.52 4.01 0.00 2.07 1.90 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.57 7.81 37 R 7.93 3.95 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 38 T 7.83 3.95 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 0.96 0.00 0.00 39 A 8.15 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 4.13 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 41 A 8.17 4.28 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 42 N 7.48 4.82 0.00 2.80 2.79 0.00 0.00 7.07 7.53 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 43 G 8.25 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 0.00 0.00 0.00 44 Y 7.92 4.30 0.00 2.96 3.09 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 45 N 8.26 4.82 0.00 2.87 2.69 0.00 0.00 7.08 7.65 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 46 G 6.31 3.72 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 0.00 0.00 0.00 47 S 8.19 4.32 0.00 3.89 3.82 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 *49 R 8.54 3.64 0.00 1.90 1.87 0.00 3.31 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 1.45 1.21 0.00 50 A 7.55 4.17 1.35 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 0.00 0.00 *52 T 8.06 4.27 4.21 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 1.27 0.00 0.00 53 R 7.83 2.51 0.00 1.14 1.57 0.00 3.06 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 54 E 7.80 3.89 0.00 2.03 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 0.00 2.36 2.40 0.00 55 Q 7.91 3.97 0.00 2.18 2.05 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 2.46 2.40 0.00 56 A 7.70 3.85 1.14 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 0.00 0.00 57 I 7.79 4.02 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 1.10 0.00 0.00 58 S 8.26 4.22 0.00 3.94 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 59 I 7.84 3.74 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.78 0.00 0.00 60 Y 8.58 4.64 0.00 3.47 3.45 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 61 R 8.69 3.06 0.00 1.68 1.97 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.00 62 K 7.85 4.13 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.65 7.81 63 A 8.59 4.08 1.27 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 64 F 8.80 5.25 0.00 3.78 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 65 W 8.40 4.05 0.00 3.44 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 66 E 8.59 3.84 0.00 2.16 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 2.33 2.47 0.00 67 R 7.53 3.63 0.00 1.65 1.87 0.00 3.04 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 68 Y 7.71 4.47 0.00 3.23 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 69 R 7.72 3.70 0.00 1.79 1.75 0.00 3.03 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.00 70 A 7.14 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 71 D 6.37 3.47 0.00 2.57 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 0.00 0.00 0.00 0.00 72 Q 7.19 4.10 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 *74 P 0.00 4.15 0.00 2.16 2.07 0.00 3.53 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 1.96 2.10 0.00 75 E 8.72 3.78 0.00 2.00 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 1.52 2.11 0.00 76 A 8.00 4.18 1.41 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 77 V 7.67 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 0.93 0.00 0.00 0.89 0.00 0.00 78 A 8.38 4.35 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.48 4.56 0.00 3.29 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 80 Q 8.20 4.26 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 81 F 8.90 4.52 0.00 2.84 3.45 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 82 F 8.88 3.24 0.00 3.11 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 83 D 8.29 4.28 0.00 2.94 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 84 A 8.26 4.06 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 0.00 0.00 0.00 0.00 0.00 85 C 7.89 3.76 0.00 2.19 1.42 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 86 V 6.89 3.46 1.78 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 0.82 0.00 0.00 0.27 0.00 0.00 87 N 7.84 4.45 0.00 2.81 2.67 0.00 0.00 7.15 8.02 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 88 H 8.50 4.90 0.00 3.16 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.76 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 0.00 0.00 0.00 90 Y 9.35 3.95 0.00 3.04 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 91 G 8.36 3.85 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 0.00 0.00 0.00 92 N 8.11 4.24 0.00 2.84 2.28 0.00 0.00 6.85 7.35 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 93 A 7.87 4.25 1.49 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 0.00 0.00 94 A 8.59 4.17 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 95 R 7.89 4.29 0.00 1.93 1.99 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 *97 L 7.94 4.33 0.00 1.45 1.58 0.37 -0.24 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 Q 8.44 3.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 99 R 8.50 3.91 0.00 1.91 2.14 0.00 3.17 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 100 A 8.18 3.99 1.47 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 0.00 101 A 8.04 4.17 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 0.00 102 G 8.12 3.89 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 0.00 103 V 7.49 4.53 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 0.73 0.00 0.00 0.97 0.00 0.00 104 P 0.00 4.30 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 105 D 8.40 4.86 0.00 2.81 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 0.00 106 D 7.94 4.57 0.00 2.81 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 0.00 107 G 8.76 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 0.00 108 V 8.01 4.26 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 0.81 0.00 0.00 0.95 0.00 0.00 109 I 8.38 4.10 2.02 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 1.34 0.85 0.80 0.00 0.00 110 G 7.77 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 0.00 0.00 0.00 0.00 111 A 8.40 3.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.48 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 1.04 0.00 0.00 0.91 0.00 0.00 113 S 7.97 4.06 0.00 4.01 3.82 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 0.00 114 L 8.14 3.87 0.00 1.72 1.62 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.46 3.83 0.00 1.79 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 116 A 7.89 3.99 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 0.00 117 I 7.68 3.59 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.77 0.00 0.00 118 N 7.97 4.53 0.00 2.75 2.83 0.00 0.00 7.10 7.18 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 0.00 119 S 7.77 4.35 0.00 3.96 3.90 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 0.00 120 L 6.93 4.16 0.00 1.58 1.60 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.24 0.00 2.28 2.00 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 122 E 8.98 3.94 0.00 2.03 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 2.41 2.43 0.00 123 N 8.15 4.40 0.00 2.79 3.02 0.00 0.00 7.12 8.08 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 0.00 124 D 8.07 4.35 0.00 2.89 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 0.00 125 L 7.96 3.98 0.00 1.77 1.85 0.90 0.42 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 0.00 126 L 8.19 4.23 0.00 1.80 1.80 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.25 4.02 0.00 1.88 1.75 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.13 3.97 0.00 2.07 2.04 0.00 3.26 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 129 F 8.87 4.27 0.00 3.18 3.28 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 0.00 130 N 8.55 4.11 0.00 2.88 2.80 0.00 0.00 6.97 8.13 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 0.00 131 A 8.25 4.03 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 0.00 132 E 8.43 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 2.58 2.57 0.00 133 R 7.98 3.87 0.00 1.97 2.19 0.00 2.80 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.00 134 L 8.36 4.34 0.00 1.98 1.92 1.21 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.80 3.65 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 0.89 0.00 0.00 1.00 0.00 0.00 136 F 8.34 4.23 0.00 3.25 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 0.00 137 Y 8.50 3.87 0.00 2.87 2.59 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 0.00 0.00 0.00 138 T 8.10 4.01 4.26 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 1.40 0.00 0.00 139 K 7.14 4.25 0.00 1.88 1.85 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.16 7.81 140 L 6.56 3.66 0.00 1.23 1.29 0.61 0.72 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 *149 G 7.84 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 0.00 0.00 0.00 0.00 150 W 8.30 3.87 0.00 3.33 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 0.00 151 V 8.17 3.74 2.22 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 0.99 0.00 0.00 1.27 0.00 0.00 152 R 8.10 3.92 0.00 1.92 2.09 0.00 3.23 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 153 R 7.78 3.80 0.00 1.71 1.70 0.00 3.07 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 154 V 7.23 3.23 1.42 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 0.81 0.00 0.00 -0.38 0.00 0.00 155 A 8.29 3.95 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 0.00 156 Q 7.95 3.97 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 157 N 7.93 4.31 0.00 2.92 2.86 0.00 0.00 6.94 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.58 4.02 0.00 1.80 1.73 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.84 3.84 2.02 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 1.40 1.04 0.91 0.00 0.00 160 H 8.53 4.09 0.00 3.19 3.30 0.00 5.58 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 0.00 161 A 7.96 4.33 1.41 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 0.00 162 S 7.65 4.54 0.00 4.08 3.90 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 0.00 163 A 7.27 4.00 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.57 4.55 0.00 2.71 2.44 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 * Residues marked with a * may have inaccurate shift predictions.