NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.4579 8.2116 122.9403 51.8173 19.7842 179.4835 5 E 3.7164 8.3231 117.9092 55.7937 32.1675 174.3290 6 F 4.9808 7.3489 125.0441 57.1508 41.8620 174.3945 7 D 4.1274 9.7103 131.3539 55.0682 37.4457 176.0791 8 A 4.7085 9.1743 127.8383 51.9740 19.4287 178.7921 9 D 4.2624 6.9243 118.0665 56.4764 41.9937 177.2422 10 V 4.0698 7.8413 123.8610 61.6877 31.2872 173.1243 11 I 4.1664 7.9610 124.3119 59.9341 37.0144 174.3032 12 V 4.5504 8.1296 126.3484 61.9437 35.2033 172.5238 13 D 4.7163 8.2300 120.9480 53.3185 41.3466 173.6508 14 A 4.2270 7.8108 121.4428 51.9581 22.5601 173.7029 15 R 4.0418 10.0233 114.8484 56.2324 30.4070 173.1407 16 D 4.6074 7.1361 130.1017 53.4265 40.3280 175.7541 17 C 3.4198 6.0318 113.3133 54.7370 35.2639 172.5034 18 I 4.1498 7.8177 118.6794 59.5373 38.3487 175.5875 19 M 4.4838 8.0000 131.5168 55.3520 30.7847 174.8712 20 G 3.9337 7.2850 120.8359 45.8448 0.0000 175.9564 21 R 4.0502 8.3112 122.2729 60.7218 31.0650 177.8996 22 V 2.8961 7.4524 109.9833 65.6631 31.6762 177.3531 23 A 3.9214 6.5976 121.3849 57.2207 19.0162 182.0535 24 S 3.2531 7.2377 107.3954 59.4679 65.6428 175.7712 25 Q 3.8578 9.0478 119.6883 59.8098 28.8196 180.4350 26 V 2.9799 7.2830 115.0762 65.0097 32.8746 177.0510 27 A 3.7213 9.0808 120.0353 53.3917 18.2225 181.9483 28 E 3.3817 8.5067 113.0030 57.7254 30.5021 179.2963 29 Q 4.2237 8.5738 116.2481 57.4541 28.8004 178.1564 30 A 3.9429 12.0000 121.6589 54.3381 18.8280 178.7952 31 L 4.6007 7.8795 122.5346 52.8318 41.0296 180.8635 32 D 3.9144 9.3033 122.0932 57.3664 41.4580 173.0007 33 G 3.4284 9.1444 111.3980 45.5790 0.0000 172.0105 34 E 4.9040 7.5582 118.0624 54.5052 34.2725 177.0112 35 T 4.8288 8.2729 111.5203 59.5422 71.3859 173.5020 36 V 4.5333 8.4280 125.8034 61.0086 33.6197 173.0686 37 A 5.5766 8.5206 129.4405 49.0281 20.7078 175.7104 38 V 5.3559 9.1557 121.8807 61.8550 33.3201 178.8916 39 V 4.8615 9.7211 111.4766 58.9449 32.0596 168.4765 40 N 3.8518 9.7297 122.1978 53.3814 38.8805 179.4662 41 A 3.1670 8.7690 116.7640 52.5022 19.2953 179.4552 42 E 3.8311 7.8556 120.3890 60.7786 32.4314 179.4335 43 R 3.6848 8.8367 122.2180 59.6277 30.8724 175.9278 44 A 3.6652 8.1055 117.0838 49.6068 23.0083 175.3513 45 V 4.7672 6.7769 111.8438 63.0561 34.2230 172.8631 46 I 4.1322 8.1766 126.2199 62.1024 41.1846 174.9877 47 T 3.5096 7.6364 112.0869 59.4059 71.8199 172.3479 48 G 3.8290 8.6259 110.5834 46.0968 0.0000 176.2074 49 R 3.6162 9.2836 119.4377 60.4459 27.0266 177.1882 50 E 3.0776 8.5821 114.4648 57.5810 31.0265 182.1770 51 E 3.8314 7.9965 112.9510 54.9699 32.8354 181.9499 52 Q 5.3013 8.6366 132.9987 60.1446 28.2548 178.3958 53 I 3.5801 9.9168 120.5030 63.6878 38.0102 177.5237 54 V 3.7744 8.8410 116.0306 64.8578 31.6728 177.0032 55 E 4.1518 8.1263 118.9618 58.4547 29.2668 179.4853 56 K 4.3835 8.0839 116.7786 59.8738 32.4519 178.4101 57 Y 4.1111 8.2780 116.0421 60.3012 38.0700 177.5353 58 E 4.1383 8.6842 119.9607 58.6640 29.2980 179.0356 59 K 3.9809 7.9910 117.9080 58.6685 32.1093 178.1674 60 R 4.2823 7.6364 116.7667 57.5648 30.8730 177.4128 61 V 3.5117 7.4920 116.9086 65.2328 31.0548 175.3897 62 D 4.6434 6.7158 119.1873 53.3509 40.6674 177.7726 63 I 3.5262 6.8904 122.2463 61.5587 35.0294 174.2428 64 G 4.0481 7.6660 108.8451 43.5031 0.0000 170.5659 65 N 4.8780 10.5338 123.7278 52.8330 39.1714 176.6942 66 D 3.7910 7.5353 120.2443 54.7064 42.4503 178.2303 67 N 3.8748 7.7524 123.0356 55.2709 40.5889 175.0552 68 G 3.6134 12.0000 103.0006 44.7461 0.0000 171.1067 69 Y 3.8687 8.1292 109.4350 57.1858 36.4973 170.0698 70 F 3.9328 6.3497 115.9825 58.5613 39.3905 175.5619 71 Y 3.6215 8.9990 125.7185 57.9122 34.5492 166.7473 72 P 4.3356 0.0000 0.0000 61.3918 33.0939 175.8551 73 K 4.8474 8.2256 116.7870 55.0896 33.3400 176.5672 74 R 4.5895 8.2163 115.0725 54.9196 33.7065 174.3462 75 P 3.5994 0.0000 0.0000 64.4358 31.8722 181.4161 76 D 3.6460 6.6492 118.0849 56.1369 43.7573 178.0759 77 G 3.5262 9.5659 108.7533 46.8567 0.0000 178.2278 78 I 3.4357 8.3401 117.9927 63.9119 39.2411 176.3816 79 F 4.3383 8.5703 119.5396 59.5551 38.8905 177.3602 80 K 3.7897 10.7800 115.0471 60.0177 33.4314 180.0589 81 R 3.9621 8.5331 113.7380 57.5608 32.4957 181.7952 82 T 3.3154 10.0744 117.6666 62.3257 72.5090 176.0305 83 I 2.7430 6.5493 113.2097 60.7141 39.8142 177.5248 84 R 3.8354 5.8400 119.3306 57.9407 30.5361 177.4583 85 G 3.8245 9.3038 105.4448 48.0880 0.0000 174.4118 86 M 4.1435 10.6600 119.6420 57.9826 32.4166 177.1923 87 L 4.4766 7.1816 117.3798 53.5774 44.8027 174.9562 88 P 4.8890 0.0000 0.0000 63.5627 29.8211 177.2066 *90 K 4.6870 8.5150 117.4350 55.6534 33.0989 174.6619 91 K 4.2772 8.0352 116.2598 56.8781 34.5992 176.7057 92 Q 2.6976 9.3903 120.2179 56.6107 30.3680 176.9489 93 R 3.6097 8.7489 117.8921 58.7993 31.1613 178.9401 94 G 3.6525 7.7186 102.6074 47.4445 0.0000 177.2313 95 R 2.0000 8.8194 109.6865 56.5032 31.3426 179.4288 96 E 4.0773 9.0172 126.1316 61.4188 30.6834 178.0607 97 A 4.0203 9.4317 118.9387 54.3330 18.4707 178.4353 98 F 4.5290 12.0000 114.2406 58.3250 40.3456 177.4716 99 E 4.2434 8.9028 118.7161 59.0135 29.4121 178.8038 100 S 4.2838 8.0881 114.5213 60.6221 63.9924 174.5637 101 V 4.4171 7.4995 118.5746 61.8919 33.1806 175.4987 102 R 4.3952 8.1663 121.9082 55.4177 35.1653 174.1917 103 V 4.3773 7.2481 122.0131 61.7495 35.6688 172.6850 104 Y 4.7481 7.6609 117.7023 57.2943 42.4920 177.5269 105 L 4.0687 9.0921 123.6159 56.8384 40.5702 178.9672 106 G 3.5397 9.8322 104.9676 45.3445 0.0000 173.1711 107 N 4.4051 7.2707 120.2790 51.7546 41.8133 172.4816 108 P 4.2371 0.0000 0.0000 63.0813 33.0572 175.4850 109 Y 4.6541 7.0796 116.0223 57.6144 41.1667 176.4886 110 D 4.4037 7.7658 126.5109 55.7643 37.3113 176.8179 *131 T 4.1447 7.3461 112.4376 61.4596 70.4531 174.6143 132 L 4.9878 7.9061 129.6499 52.8982 42.5480 176.1624 133 G 4.4248 7.1236 102.7152 45.9423 0.0000 172.2982 134 E 4.4905 7.7862 119.3858 57.6397 32.5683 176.6913 135 I 4.2847 7.9045 118.2591 63.9639 38.7111 177.2139 136 S 4.2119 8.4552 106.9120 59.5041 60.8143 179.1956 137 E 3.0834 8.6380 116.3223 57.5243 31.7264 177.4597 138 T 3.6475 8.0236 107.3122 64.9223 69.4756 174.4228 139 L 4.7129 9.5533 123.7699 53.3264 40.8854 178.3358 140 G 4.8287 10.0006 121.6621 47.6316 0.0000 172.9563 141 A 4.8968 6.8076 126.2137 52.9597 18.6858 176.1416 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 4 A 8.21 4.46 0.90 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 0.00 0.00 5 E 8.32 3.72 0.00 2.07 1.76 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 2.28 2.38 0.00 6 F 7.35 4.98 0.00 2.78 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 0.00 0.00 0.00 0.00 7 D 9.71 4.13 0.00 2.86 2.52 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 8 A 9.17 4.71 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 9 D 6.92 4.26 0.00 2.83 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 10 V 7.84 4.07 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 0.89 0.00 0.00 0.33 0.00 0.00 11 I 7.96 4.17 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.95 0.00 0.00 12 V 8.13 4.55 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 13 D 8.23 4.72 0.00 3.00 2.50 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 14 A 7.81 4.23 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 15 R 10.02 4.04 0.00 1.93 2.13 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 16 D 7.14 4.61 0.00 2.87 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 17 C 6.03 3.42 0.00 3.10 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 18 I 7.82 4.15 1.84 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 1.26 1.38 0.89 0.00 0.00 19 M 8.00 4.48 0.00 1.75 2.27 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 20 G 7.28 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 21 R 8.31 4.05 0.00 1.93 1.91 0.00 3.47 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 22 V 7.45 2.90 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 0.83 0.00 0.00 0.84 0.00 0.00 23 A 6.60 3.92 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 24 S 7.24 3.25 0.00 4.07 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 25 Q 9.05 3.86 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 26 V 7.28 2.98 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 0.78 0.00 0.00 0.97 0.00 0.00 27 A 9.08 3.72 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 28 E 8.51 3.38 0.00 2.09 2.10 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 2.51 2.50 0.00 29 Q 8.57 4.22 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 30 A 12.00 3.94 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 31 L 7.88 4.60 0.00 1.90 0.89 0.89 1.07 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 32 D 9.30 3.91 0.00 2.69 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 33 G 9.14 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 0.00 0.00 0.00 34 E 7.56 4.90 0.00 1.97 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 2.21 2.20 0.00 35 T 8.27 4.83 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 1.16 0.00 0.00 36 V 8.43 4.53 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 0.98 0.00 0.00 0.91 0.00 0.00 37 A 8.52 5.58 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 38 V 9.16 5.36 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 1.27 0.00 0.00 0.99 0.00 0.00 39 V 9.72 4.86 2.43 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 1.00 0.00 0.00 1.04 0.00 0.00 40 N 9.73 3.85 0.00 3.02 3.15 0.00 0.00 7.53 7.19 0.00 0.00 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 8.77 3.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.83 0.00 2.17 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 0.00 2.52 2.27 0.00 43 R 8.84 3.68 0.00 1.78 2.06 0.00 3.30 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 44 A 8.11 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 45 V 6.78 4.77 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 1.07 0.00 0.00 0.79 0.00 0.00 46 I 8.18 4.13 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.33 0.86 0.00 0.00 47 T 7.64 3.51 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 1.19 0.00 0.00 48 G 8.63 3.83 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 0.00 0.00 0.00 49 R 9.28 3.62 0.00 1.90 2.34 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 50 E 8.58 3.08 0.00 2.07 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 2.33 2.34 0.00 51 E 8.00 3.83 0.00 2.08 1.12 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 0.00 2.38 2.38 0.00 52 Q 8.64 5.30 0.00 2.11 2.21 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 2.67 2.31 0.00 53 I 9.92 3.58 1.97 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 1.41 1.19 0.83 0.00 0.00 54 V 8.84 3.77 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 1.01 0.00 0.00 0.94 0.00 0.00 55 E 8.13 4.15 0.00 2.10 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 2.34 2.48 0.00 56 K 8.08 4.38 0.00 2.09 1.96 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.76 7.81 57 Y 8.28 4.11 0.00 3.05 3.12 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 0.00 0.00 0.00 0.00 58 E 8.68 4.14 0.00 2.21 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 2.38 2.71 0.00 59 K 7.99 3.98 0.00 2.27 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 60 R 7.64 4.28 0.00 2.09 2.38 0.00 3.69 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 61 V 7.49 3.51 2.33 0.00 0.00 0.00 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 1.06 0.00 0.00 62 D 6.72 4.64 0.00 2.76 2.70 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 63 I 6.89 3.53 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.60 0.00 0.00 64 G 7.67 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 65 N 10.53 4.88 0.00 4.16 3.13 0.00 0.00 6.62 7.96 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 66 D 7.54 3.79 0.00 2.83 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 67 N 7.75 3.87 0.00 2.67 2.70 0.00 0.00 7.21 7.98 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 68 G 12.00 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 69 Y 8.13 3.87 0.00 3.22 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.35 3.93 0.00 3.05 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 71 Y 9.00 3.62 0.00 3.08 3.40 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 72 P 0.00 4.34 0.00 2.13 2.05 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 2.07 2.16 0.00 73 K 8.23 4.85 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.66 7.81 74 R 8.22 4.59 0.00 1.81 2.35 0.00 3.55 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 75 P 0.00 3.60 0.00 1.94 1.81 0.00 3.59 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 2.06 2.14 0.00 76 D 6.65 3.65 0.00 2.70 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 77 G 9.57 3.53 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 0.00 78 I 8.34 3.44 2.47 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 1.03 0.00 0.00 79 F 8.57 4.34 0.00 3.34 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 80 K 10.78 3.79 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.84 1.64 7.81 81 R 8.53 3.96 0.00 2.07 1.02 0.00 3.22 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 82 T 10.07 3.32 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 1.45 0.00 0.00 83 I 6.55 2.74 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.69 1.05 0.00 0.00 84 R 5.84 3.84 0.00 2.06 2.36 0.00 3.27 0.00 0.00 3.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.32 0.00 85 G 9.30 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 0.00 0.00 0.00 86 M 10.66 4.14 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 87 L 7.18 4.48 0.00 1.49 1.47 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.89 0.00 2.48 1.71 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 *90 K 8.52 4.69 0.00 1.75 1.86 0.00 1.53 0.00 0.00 2.08 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.24 7.81 91 K 8.04 4.28 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 92 Q 9.39 2.70 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 93 R 8.75 3.61 0.00 1.95 1.87 0.00 3.22 0.00 0.00 3.34 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 94 G 7.72 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 95 R 8.82 2.00 0.00 2.20 1.60 0.00 3.10 0.00 0.00 3.03 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.74 0.00 96 E 9.02 4.08 0.00 2.27 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 2.43 2.34 0.00 97 A 9.43 4.02 1.08 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 98 F 12.00 4.53 0.00 2.90 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 99 E 8.90 4.24 0.00 2.05 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 2.35 2.42 0.00 100 S 8.09 4.28 0.00 3.75 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 0.00 101 V 7.50 4.42 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 0.83 0.00 0.00 0.91 0.00 0.00 102 R 8.17 4.40 0.00 1.74 1.69 0.00 3.03 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 103 V 7.25 4.38 1.75 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 0.68 0.00 0.00 0.87 0.00 0.00 104 Y 7.66 4.75 0.00 3.05 2.82 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 0.00 105 L 9.09 4.07 0.00 1.65 1.17 0.92 0.39 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 0.00 106 G 9.83 3.54 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 0.00 0.00 0.00 107 N 7.27 4.41 0.00 2.67 2.75 0.00 0.00 6.79 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 0.00 108 P 0.00 4.24 0.00 0.49 1.66 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 109 Y 7.08 4.65 0.00 3.18 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 0.00 110 D 7.77 4.40 0.00 2.77 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 *131 T 7.35 4.14 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 1.20 0.00 0.00 132 L 7.91 4.99 0.00 2.02 2.02 0.89 0.99 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 0.00 133 G 7.12 4.42 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 0.00 134 E 7.79 4.49 0.00 1.95 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 2.27 2.32 0.00 135 I 7.90 4.28 1.83 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 1.23 1.26 1.02 0.00 0.00 136 S 8.46 4.21 0.00 3.92 2.93 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 0.00 137 E 8.64 3.08 0.00 2.12 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 2.36 2.34 0.00 138 T 8.02 3.65 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 1.24 0.00 0.00 139 L 9.55 4.71 0.00 1.70 1.85 1.44 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 G 10.00 4.83 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 0.00 0.00 0.00 141 A 6.81 4.90 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 * Residues marked with a * may have inaccurate shift predictions.