NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7120 8.4449 116.3368 55.6980 29.4738 175.1939 0 H 3.8641 7.4901 111.0504 51.6724 27.8183 172.5158 2 R 5.4604 8.0046 112.1055 53.7772 31.9052 173.2303 3 T 4.2086 8.0577 117.2082 63.5579 69.0252 173.9823 4 L 4.3919 8.5463 129.3587 54.8600 42.9367 175.8719 5 N 4.9726 9.1986 123.8678 51.4990 40.3773 176.5925 6 K 3.9557 8.6606 120.5004 59.2557 32.8489 177.3877 7 D 4.4125 7.8115 117.2572 53.6539 40.4328 177.1029 8 E 4.2291 7.7835 122.6499 55.6362 28.1433 176.6763 9 H 4.4993 7.9172 119.9364 58.6415 29.3139 176.6143 10 N 4.2552 8.0726 118.3560 57.1189 38.8254 176.2992 11 Y 4.4412 7.8224 117.4690 61.2945 37.8703 178.7134 12 I 3.5970 8.0190 120.7046 64.1656 37.1889 178.4830 13 K 4.0479 8.6646 119.8253 59.7196 31.9102 179.3361 14 Q 4.0215 8.2585 118.0997 59.0167 28.5622 178.9392 15 I 3.3096 7.7925 120.6229 64.0642 37.0622 178.1912 16 A 4.0304 8.1423 121.8336 55.3522 18.2593 179.2496 17 N 4.3002 8.3008 115.4093 56.8703 38.9534 177.1938 18 I 3.6497 7.8765 121.2450 64.4523 37.1751 177.7876 19 H 4.3026 8.5910 119.3779 59.5975 29.7864 177.1772 20 E 4.0864 8.3884 120.2395 59.5953 29.2708 179.4154 21 T 3.9153 8.0609 115.7572 66.8258 68.3653 176.5836 22 L 4.0769 7.9951 119.5147 57.7875 41.7695 179.3295 23 L 4.1376 8.0821 118.9784 57.8657 41.5527 179.4491 24 S 4.6239 8.2596 114.4028 61.0912 62.1301 176.1749 25 Q 4.1816 8.0463 119.3455 58.2914 28.5217 178.2509 26 V 3.8324 7.5147 112.1001 61.1567 32.1806 175.5347 27 E 3.7889 7.9446 117.4065 57.7529 27.7309 175.7861 28 S 4.5243 8.1941 113.8049 58.7032 61.3805 173.3270 29 N 4.2646 8.0628 117.2083 52.3654 35.4265 175.4738 30 Y 4.6138 7.6201 119.0249 56.8301 41.9772 173.1945 31 K 4.5364 7.5681 125.8745 54.4070 35.5349 175.5270 32 C 4.3133 8.4943 123.8443 59.3016 32.3704 173.1184 33 T 4.7295 8.5254 115.4007 58.8151 73.0063 174.9462 34 K 3.8407 8.5372 121.7397 59.6174 32.0418 178.4648 35 L 3.9492 7.8498 120.2194 58.2292 42.0709 178.9265 36 S 4.1633 8.1463 114.1931 61.5593 62.7605 176.6072 37 I 3.7561 8.0865 123.2813 63.9987 36.8901 178.1638 38 A 4.0211 8.2040 121.7478 55.2534 17.9994 179.7541 39 L 4.0080 8.0219 116.5847 57.8281 41.7655 179.2843 40 R 4.0937 8.1162 118.0229 59.4805 30.2873 177.4941 41 Y 4.2341 8.2562 119.3707 60.7769 38.7053 179.4687 42 E 3.9665 8.0355 116.8399 56.9747 29.6002 179.0286 *44 I 3.8119 7.7399 121.8209 61.5688 39.1531 177.8143 45 C 3.8668 7.7361 117.0390 62.6582 28.2224 176.0555 46 S 4.2097 8.1248 115.8396 61.6005 62.4534 176.6777 47 R 4.0549 7.9685 121.4797 58.9215 29.7104 178.4864 48 L 4.1468 7.7928 116.3067 56.4461 41.7581 178.4670 49 E 4.1290 7.7375 117.6677 59.8147 30.0341 176.0113 50 H 4.9975 7.8625 116.3271 54.9475 30.7002 174.6171 51 T 4.5859 8.5776 115.1578 62.9418 68.3435 174.8894 52 N 5.1039 8.2604 116.7465 54.5557 39.7519 174.0521 53 D 5.6908 8.1937 117.8471 52.4628 45.1260 175.0358 54 K 4.0357 8.5802 121.4749 54.6069 35.8593 174.8439 55 I 4.9064 7.8546 126.9735 59.7604 40.3438 173.6879 56 Y 5.1563 8.7152 125.6002 56.5299 39.8095 175.1218 57 I 5.0175 8.8188 117.7337 59.4297 41.1893 173.7511 58 Y 4.7097 9.0748 125.2904 55.8761 40.5751 174.2188 59 E 5.2665 8.7344 124.9709 54.7535 32.9686 175.2094 60 N 4.8438 8.9617 118.7778 53.5901 42.3832 174.3761 61 E 3.7844 9.7351 124.9772 57.7149 27.0529 175.2148 62 G 4.0453 8.4684 102.0788 46.1637 0.0000 173.5545 63 Q 4.7362 8.0608 118.4243 53.4817 31.3646 174.8779 64 L 4.3500 8.4788 123.8292 54.6094 42.2158 176.1443 65 I 4.2328 8.8650 128.4994 63.8122 38.5847 175.8488 66 A 4.9419 7.8379 120.7574 51.5224 22.5667 174.9714 67 F 5.3616 8.1616 112.8727 56.2148 41.8423 172.9580 68 I 5.2371 9.1771 119.9941 59.1403 41.8964 173.7013 69 W 5.5251 9.6485 135.0000 55.7537 33.4854 174.0680 70 G 4.6585 9.5159 114.7467 44.7150 0.0000 171.0591 71 H 5.6811 9.2370 121.5539 54.1790 33.3962 171.7153 72 F 4.8805 9.6700 128.7512 56.9984 40.6189 174.7563 73 S 4.3938 7.7226 120.7828 56.5672 63.0335 174.3403 74 N 4.2714 8.7357 128.4448 56.9037 38.8083 177.1379 75 E 4.0850 8.1235 113.3056 58.7500 29.8537 180.8596 76 K 4.1134 7.9085 116.8782 56.2229 33.1522 177.1083 77 S 3.2005 7.4061 113.7057 59.0633 60.3933 170.6163 *79 V 4.5112 7.2041 119.9393 62.6142 33.4260 173.7437 80 N 5.0155 9.1806 125.2337 51.2337 39.9236 174.0901 81 I 4.3684 8.7672 123.6991 60.9448 36.9615 175.8178 82 E 3.8050 9.0729 128.8763 59.0047 29.9108 177.8186 83 L 4.4310 7.3739 117.7517 54.0222 45.6985 173.2651 84 L 5.2034 8.7083 127.4764 53.5009 44.8661 174.7497 85 Y 4.6512 8.6218 126.6293 55.8530 42.5405 173.5817 86 V 4.3396 7.3045 125.2564 60.3985 34.4320 174.8055 87 E 3.8663 9.0403 127.4686 56.6025 30.2141 176.0991 88 P 4.0537 0.0000 0.0000 65.8260 31.5936 178.2285 89 Q 3.7208 7.9942 116.8615 58.2882 28.8322 176.8333 90 F 4.8447 7.8805 114.4629 57.0129 39.2792 175.8515 91 R 3.9886 7.6128 120.3490 57.0000 30.3242 177.0051 92 K 3.9448 8.4671 116.7390 57.6023 29.3432 176.6073 93 L 4.3374 7.4490 117.5803 54.6122 42.2752 177.5722 94 G 3.9747 8.0617 107.8222 45.4020 0.0000 175.5721 95 I 3.5449 7.6074 121.2472 64.0833 37.0304 177.8769 96 A 3.9379 7.8393 121.1259 55.4304 18.2389 179.5555 97 T 3.7834 7.8187 113.6577 66.8671 68.6032 176.3056 98 Q 3.9761 8.1400 121.3091 59.2477 28.9691 178.4702 99 L 4.0148 8.2487 120.1873 57.7645 41.5961 179.6234 100 K 4.0331 8.4394 118.8143 59.4825 31.9942 179.4745 101 I 3.6936 7.9511 119.8115 64.3014 37.0736 178.2762 102 A 3.8539 8.0069 121.5616 55.1361 18.1490 179.4838 103 L 4.4198 8.3178 119.0477 58.3507 42.1690 178.7971 104 E 4.1050 8.7152 119.7410 59.2028 29.3653 178.8810 105 K 4.0146 8.0764 117.6728 59.1782 32.3930 178.7538 106 W 4.4086 8.6265 128.3977 60.5312 30.6994 177.7041 107 A 3.4587 8.7400 121.0792 55.2041 17.5276 179.8166 108 K 3.9944 7.8742 116.1422 59.1754 32.2588 179.3471 109 T 4.0828 7.3305 110.3433 61.5460 69.4518 174.3819 *111 N 4.4111 8.1837 114.7668 54.0941 40.1694 174.5899 112 A 4.8425 7.5882 120.3948 50.7405 20.3681 178.4647 113 K 4.0213 8.5593 123.4713 59.2574 32.3946 176.6837 114 R 4.2836 7.4203 114.2945 56.5245 31.2615 173.5325 115 I 4.7785 7.6457 117.2938 57.9437 37.6066 173.0615 116 S 4.2377 8.6921 115.6093 60.8416 63.1305 174.9209 117 N 4.7419 8.6392 120.4360 53.4863 39.9118 175.2102 118 T 4.1050 8.0165 113.3049 62.7719 67.4183 173.0435 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 -1 H 8.44 4.71 0.00 3.21 2.87 0.00 5.50 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.49 3.86 0.00 2.29 1.86 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.00 5.46 0.00 2.17 2.25 0.00 2.78 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 1.38 1.37 0.00 3 T 8.06 4.21 4.22 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 1.03 0.00 0.00 4 L 8.55 4.39 0.00 1.53 1.49 1.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.20 4.97 0.00 2.79 2.71 0.00 0.00 6.42 6.96 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 6 K 8.66 3.96 0.00 1.77 1.86 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 7 D 7.81 4.41 0.00 2.67 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 8 E 7.78 4.23 0.00 2.16 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 2.22 2.33 0.00 9 H 7.92 4.50 0.00 3.19 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.07 4.26 0.00 2.76 2.64 0.00 0.00 7.21 7.56 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 11 Y 7.82 4.44 0.00 3.08 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 12 I 8.02 3.60 2.09 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.61 0.00 0.00 13 K 8.66 4.05 0.00 1.93 1.81 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.56 7.81 14 Q 8.26 4.02 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 15 I 7.79 3.31 1.65 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.42 0.00 0.00 16 A 8.14 4.03 1.46 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 17 N 8.30 4.30 0.00 2.79 2.98 0.00 0.00 7.29 7.60 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 18 I 7.88 3.65 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.32 0.00 0.00 19 H 8.59 4.30 0.00 3.50 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.39 4.09 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 2.58 0.00 21 T 8.06 3.92 4.43 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 1.24 0.00 0.00 22 L 8.00 4.08 0.00 1.81 1.80 0.99 1.41 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 23 L 8.08 4.14 0.00 1.92 1.55 0.59 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.26 4.62 0.00 4.16 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 25 Q 8.05 4.18 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 26 V 7.51 3.83 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 0.76 0.00 0.00 1.02 0.00 0.00 27 E 7.94 3.79 0.00 2.14 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 0.00 2.28 2.46 0.00 28 S 8.19 4.52 0.00 3.84 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 29 N 8.06 4.26 0.00 2.90 2.70 0.00 0.00 6.70 7.55 0.00 0.00 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 Y 7.62 4.61 0.00 3.03 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 31 K 7.57 4.54 0.00 1.81 1.54 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 0.95 7.81 32 C 8.49 4.31 0.00 3.07 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 33 T 8.53 4.73 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 1.13 0.00 0.00 34 K 8.54 3.84 0.00 1.92 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.08 7.81 35 L 7.85 3.95 0.00 1.79 1.64 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.15 4.16 0.00 4.26 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 37 I 8.09 3.76 2.02 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 1.50 0.68 0.93 0.00 0.00 38 A 8.20 4.02 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 39 L 8.02 4.01 0.00 1.82 1.79 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.12 4.09 0.00 1.96 2.22 0.00 3.67 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 41 Y 8.26 4.23 0.00 3.10 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 42 E 8.04 3.97 0.00 2.27 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 2.41 2.63 0.00 *44 I 7.74 3.81 1.51 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.52 0.28 0.00 0.00 45 C 7.74 3.87 0.00 2.79 2.78 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 46 S 8.12 4.21 0.00 4.06 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 0.00 47 R 7.97 4.05 0.00 2.03 2.28 0.00 3.86 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 48 L 7.79 4.15 0.00 1.62 1.59 0.69 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.74 4.13 0.00 2.00 1.83 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 2.25 2.42 0.00 50 H 7.86 5.00 0.00 3.18 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.58 4.59 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 1.27 0.00 0.00 52 N 8.26 5.10 0.00 2.90 3.17 0.00 0.00 6.85 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 53 D 8.19 5.69 0.00 2.76 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 54 K 8.58 4.04 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.23 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.35 7.81 55 I 7.85 4.91 1.61 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.88 0.00 0.00 56 Y 8.72 5.16 0.00 3.00 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 57 I 8.82 5.02 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.85 0.00 0.00 58 Y 9.07 4.71 0.00 2.99 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 59 E 8.73 5.27 0.00 2.07 1.77 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 2.23 2.15 0.00 60 N 8.96 4.84 0.00 2.79 2.59 0.00 0.00 7.45 7.26 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 61 E 9.74 3.78 0.00 2.17 2.02 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 2.24 2.31 0.00 62 G 8.47 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 63 Q 8.06 4.74 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 64 L 8.48 4.35 0.00 1.24 1.60 0.47 0.85 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 65 I 8.86 4.23 2.08 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.58 0.00 0.00 66 A 7.84 4.94 1.17 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 0.00 0.00 67 F 8.16 5.36 0.00 3.25 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 68 I 9.18 5.24 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.71 1.18 0.00 0.00 69 W 9.65 5.53 0.00 3.37 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 70 G 9.52 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.24 5.68 0.00 3.39 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.67 4.88 0.00 2.87 3.06 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 0.00 0.00 0.00 73 S 7.72 4.39 0.00 3.77 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 74 N 8.74 4.27 0.00 2.74 2.93 0.00 0.00 7.05 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 75 E 8.12 4.09 0.00 1.98 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 2.23 1.90 0.00 76 K 7.91 4.11 0.00 1.57 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.31 7.81 77 S 7.41 3.20 0.00 3.96 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 *79 V 7.20 4.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.99 0.00 0.00 80 N 9.18 5.02 0.00 2.70 2.87 0.00 0.00 6.72 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 81 I 8.77 4.37 1.88 0.00 0.00 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 1.32 0.61 0.98 0.00 0.00 82 E 9.07 3.80 0.00 1.16 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 1.72 1.47 0.00 83 L 7.37 4.43 0.00 1.76 1.82 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.71 5.20 0.00 1.66 1.51 0.96 0.82 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 85 Y 8.62 4.65 0.00 2.79 1.66 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 0.00 0.00 0.00 0.00 86 V 7.30 4.34 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 0.78 0.00 0.00 0.76 0.00 0.00 87 E 9.04 3.87 0.00 2.20 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 0.00 2.64 2.67 0.00 88 P 0.00 4.05 0.00 2.13 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 89 Q 7.99 3.72 0.00 1.71 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.29 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 90 F 7.88 4.84 0.00 2.98 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 91 R 7.61 3.99 0.00 1.92 1.76 0.00 3.14 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 92 K 8.47 3.94 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.40 7.81 93 L 7.45 4.34 0.00 1.64 1.63 1.06 0.92 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 94 G 8.06 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 0.00 0.00 0.00 95 I 7.61 3.54 1.64 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.34 0.67 0.00 0.00 96 A 7.84 3.94 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 97 T 7.82 3.78 4.39 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 1.21 0.00 0.00 98 Q 8.14 3.98 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 99 L 8.25 4.01 0.00 1.91 1.78 0.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.44 4.03 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.67 7.81 101 I 7.95 3.69 2.03 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 1.46 1.03 0.91 0.00 0.00 102 A 8.01 3.85 0.83 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 0.00 103 L 8.32 4.42 0.00 2.12 1.88 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.72 4.10 0.00 2.23 2.13 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 0.00 2.34 2.44 0.00 105 K 8.08 4.01 0.00 2.03 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.64 7.81 106 W 8.63 4.41 0.00 3.69 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 0.00 107 A 8.74 3.46 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 0.00 108 K 7.87 3.99 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.75 7.81 109 T 7.33 4.08 4.19 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 0.00 0.00 0.00 1.27 0.00 0.00 *111 N 8.18 4.41 0.00 2.66 2.89 0.00 0.00 7.07 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 0.00 112 A 7.59 4.84 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 0.00 113 K 8.56 4.02 0.00 1.76 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 114 R 7.42 4.28 0.00 1.91 1.87 0.00 3.08 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 115 I 7.65 4.78 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 1.24 1.67 1.08 0.00 0.00 116 S 8.69 4.24 0.00 3.77 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 0.00 117 N 8.64 4.74 0.00 2.61 2.77 0.00 0.00 6.69 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 0.00 118 T 8.02 4.11 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 * Residues marked with a * may have inaccurate shift predictions.