NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3909 8.1631 112.9178 60.3568 69.9413 173.4719 3 G 4.0118 7.5810 111.6449 43.8025 0.0000 168.9603 4 H 4.7598 10.9386 123.5527 54.4636 30.5885 173.3749 5 I 4.1327 8.5976 127.6273 62.8145 38.6328 176.5779 6 D 4.8895 7.5620 115.7638 50.2641 43.6528 174.9224 7 P 4.5790 0.0000 0.0000 62.9213 32.6062 176.5374 8 T 4.3665 8.2239 117.6459 63.0666 70.4459 176.5154 9 K 4.0088 8.7204 129.8435 60.4460 31.4241 178.6284 10 E 4.3406 8.1204 119.2980 59.3214 29.6423 179.5637 11 V 3.7747 7.7918 117.5562 65.5460 31.6977 177.5176 12 F 4.6995 8.5250 120.1818 60.6311 39.0576 177.1949 13 A 3.9054 7.8404 120.1420 55.3014 18.0326 179.3217 14 Q 3.6118 8.2551 114.8806 59.1953 29.0999 179.0266 15 F 4.2083 8.1554 120.9577 61.5634 39.3565 177.5714 16 R 3.9059 7.9134 116.0989 59.0095 29.8636 178.4026 17 A 4.0585 8.6077 121.2218 55.0669 18.3973 179.0083 18 N 4.2378 8.0055 115.1194 56.6087 39.1327 177.1983 19 D 4.5272 7.9088 116.5227 53.1974 38.7729 174.0112 20 R 3.8758 7.3910 116.2189 57.5131 29.7682 175.5019 21 E 4.0893 8.6217 120.9287 56.1052 29.9512 176.0544 22 G 3.9006 7.9598 114.0262 45.0927 0.0000 169.5812 23 P 5.1978 0.0000 0.0000 61.5040 33.7828 174.6491 24 I 4.8166 8.9429 112.2734 59.8025 41.3506 174.3676 25 H 5.7015 8.7219 120.1526 52.9428 33.0880 171.7324 *27 L 4.3698 8.2396 119.4541 55.6265 43.5839 175.6495 28 N 5.1425 8.7185 124.0817 51.4023 41.2472 173.7041 29 L 4.5064 9.1120 125.6245 52.8906 44.0472 175.3955 30 V 4.6816 8.7589 124.7705 60.9244 34.3061 174.4329 31 R 4.9690 9.5338 131.1101 55.0135 31.7362 175.3549 32 L 4.7507 8.8040 129.2307 54.7276 41.9252 174.3612 33 R 4.3452 8.8853 118.6250 55.1321 31.1496 175.6255 34 P 4.3828 0.0000 0.0000 65.1100 32.9216 176.7688 35 R 4.7896 7.8188 119.5134 54.5724 30.8781 178.7266 36 A 4.4078 8.4737 126.9621 50.6600 19.3870 176.9799 37 A 4.7806 8.1331 121.1044 51.4469 19.5054 177.1835 38 Y 4.0446 8.1916 118.0143 58.3183 38.7669 175.6111 39 P 4.5918 0.0000 0.0000 62.8781 34.0913 178.1075 40 D 4.1812 9.0694 125.4306 56.7219 38.9891 175.8011 *43 E 4.2132 9.4625 124.9647 56.7821 32.3351 178.3833 44 T 4.3705 7.4243 111.2284 61.1579 69.8506 179.0377 45 T 4.8542 8.0942 110.6596 61.7533 71.5660 176.2378 46 G 4.1446 8.5802 109.2270 47.6922 0.0000 176.0851 47 A 4.1824 8.1781 125.6966 55.0941 18.4170 180.1588 48 E 3.9529 8.2869 116.8840 61.3158 29.4516 182.6679 49 A 4.4172 8.1424 122.3003 55.0869 18.4461 179.2177 50 Y 3.9768 8.5981 118.1447 60.9529 38.9173 177.8778 51 A 4.0360 8.2645 121.4850 55.5075 18.3056 178.6680 52 A 3.8140 8.2356 119.1345 55.2511 18.1973 178.8646 53 Y 4.3097 7.9377 115.9364 60.7249 39.0657 179.2216 54 G 3.5138 7.7597 106.1161 48.0045 0.0000 175.6713 55 R 3.8954 7.8018 119.7582 58.7415 30.0897 178.4766 56 D 4.5808 8.0897 120.0535 57.6230 41.4662 179.4136 57 S 4.3213 8.8714 120.5759 63.2682 62.1242 177.9444 58 G 3.9418 7.9068 108.2420 47.5689 0.0000 173.5329 59 P 4.2966 0.0000 0.0000 65.0789 31.5570 178.5742 60 V 3.5806 7.8114 116.0973 66.0240 31.4980 177.3020 *61 F 4.1516 8.4713 122.6355 62.0827 38.7005 177.5997 62 E 3.9584 8.9513 118.6010 61.2625 29.2613 181.0747 63 R 4.1296 7.6341 118.2255 58.9688 30.3159 177.8035 64 L 4.4697 7.8306 115.6007 54.7446 41.8903 177.4918 65 G 3.9411 7.7284 107.6477 45.1393 0.0000 174.1308 66 G 3.4926 7.9589 106.6691 45.7843 0.0000 173.9594 67 K 4.6442 8.3912 120.5251 55.0721 36.5127 175.4624 68 V 4.2232 8.3388 123.7016 62.5235 31.2039 175.9223 69 V 3.8294 8.7948 129.0430 65.1739 31.8518 175.7632 70 W 5.3167 7.7336 127.6733 56.0394 34.7741 173.1723 71 Q 3.8355 6.8363 120.5646 55.0068 31.2784 172.9877 72 G 4.0362 7.4059 112.4504 44.3223 0.0000 171.2987 73 Q 4.6197 8.2869 120.4443 53.4754 30.4906 174.8419 74 F 4.1241 8.9835 127.8240 58.8036 40.0022 173.1254 75 E 4.5508 8.1573 125.7022 57.4600 32.2270 174.9004 76 L 3.9726 6.2406 122.7776 54.1155 44.4447 176.2510 *78 L 4.3851 8.6636 115.2037 53.9503 43.4984 176.7937 79 I 4.4427 8.3371 117.4712 58.8201 39.7210 174.5478 80 G 4.3389 8.6811 110.3907 41.9992 0.0000 170.9538 81 P 4.4122 0.0000 0.0000 62.7356 31.9465 178.1918 82 Q 3.9996 8.9782 123.7975 58.6754 28.4104 175.1481 83 D 4.5556 8.3509 115.7829 56.3035 39.6901 180.2775 84 E 3.6447 7.4217 118.9575 56.4358 29.8011 176.7695 85 H 3.6729 7.3186 116.6906 54.2259 30.9414 172.8958 86 W 4.7383 7.0459 124.2779 55.1432 30.7750 175.7873 87 D 4.6630 8.8762 121.8736 56.0167 41.5218 176.6693 88 H 4.9585 8.2127 115.1598 54.0486 33.5076 172.5560 89 V 5.0411 8.3877 122.0811 61.2850 34.6068 173.9519 90 F 5.1717 8.5277 120.5087 56.2145 41.9065 172.8943 91 I 4.8524 9.2738 120.8136 59.7185 39.6002 174.5313 92 A 5.1607 8.8087 128.9894 50.5215 21.4866 174.8726 93 E 4.8695 9.3183 122.5759 54.6134 32.3283 174.3891 94 Y 5.1842 8.8467 123.5318 55.5637 41.4832 174.9855 95 P 4.4976 0.0000 0.0000 64.5819 32.4663 176.7490 96 S 4.8003 7.6984 112.7526 56.3063 66.5240 176.0171 97 V 3.6576 8.3292 123.3015 64.9753 31.0003 178.4736 98 A 4.0283 8.0220 120.9074 54.7743 18.0940 179.1489 99 A 4.0070 7.7232 118.1033 55.3087 18.5841 179.2291 100 F 3.7296 7.9270 117.3571 61.3382 39.2149 177.1094 101 V 3.9516 8.0475 117.7342 65.9879 31.1009 179.2159 102 E 3.8209 8.0942 117.8818 56.6095 29.4690 178.9926 *104 I 3.2185 7.7962 120.8613 60.7759 39.0715 176.8631 105 R 4.3239 7.2908 116.2536 56.4489 30.8786 176.7682 106 D 4.4249 7.6979 118.8855 53.9255 42.1939 174.5312 107 P 4.2676 0.0000 0.0000 65.7602 31.5711 178.4243 108 V 3.5849 8.3579 116.9187 66.2161 31.4843 177.2188 109 Y 3.8578 8.0835 118.6031 60.8612 38.4874 177.8031 110 R 4.1112 8.8917 120.9522 60.4109 30.4458 179.1616 111 E 4.1036 8.4657 117.4784 61.0159 29.3035 180.7012 112 A 4.3559 8.1407 123.7553 54.9224 18.3259 180.5403 113 V 3.1195 7.7125 120.6488 65.7075 31.4215 184.2726 114 K 3.8284 7.3329 121.8861 60.6537 31.7706 183.0766 115 H 4.3261 7.5886 116.0446 58.7381 28.6998 177.8264 116 R 3.7830 7.4979 122.3256 60.1564 29.5903 178.7648 117 Q 3.9003 8.2831 119.4840 60.1429 28.2067 180.0052 118 A 4.2578 7.6255 120.0812 53.4304 18.6961 178.7836 119 A 4.3358 7.8933 118.9168 52.1873 19.5851 177.1305 120 V 4.1786 7.2798 117.3248 62.3099 32.3194 175.2379 121 E 4.2336 8.8625 129.3328 59.1735 30.2920 176.2618 122 D 4.8217 7.9039 118.2110 54.1112 44.5531 175.1416 123 S 5.4622 9.1158 122.2293 57.1921 66.8423 172.7947 124 R 4.6249 8.8463 117.9898 54.9805 34.2327 174.8471 125 L 4.7630 8.3753 123.7184 53.9108 44.4649 174.9383 126 I 4.4940 8.6886 128.0452 59.4044 39.3722 175.4243 127 R 4.5673 8.5645 127.1332 55.3933 31.1496 175.3141 128 L 4.8098 9.1740 128.5910 53.4557 45.7988 176.9137 129 K 4.6164 8.6577 125.2051 52.1868 31.3045 173.0683 130 P 4.3073 0.0000 0.0000 62.1220 31.5479 175.4702 131 L 4.7612 7.9925 121.1084 52.8539 45.3300 176.8690 132 K 4.1264 8.3871 121.4382 53.7670 32.0581 173.7077 133 P 4.4462 0.0000 0.0000 62.2414 31.2294 176.0863 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 T 8.16 4.39 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 1.21 0.00 0.00 3 G 7.58 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 4 H 10.94 4.76 0.00 3.45 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.60 4.13 1.85 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 1.42 0.57 0.89 0.00 0.00 6 D 7.56 4.89 0.00 2.63 2.36 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 7 P 0.00 4.58 0.00 1.93 1.85 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 8 T 8.22 4.37 4.35 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 1.26 0.00 0.00 9 K 8.72 4.01 0.00 1.85 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.14 7.81 10 E 8.12 4.34 0.00 2.13 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 0.00 2.40 1.93 0.00 11 V 7.79 3.77 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 1.09 0.00 0.00 0.97 0.00 0.00 12 F 8.53 4.70 0.00 3.20 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 13 A 7.84 3.91 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 14 Q 8.26 3.61 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 15 F 8.16 4.21 0.00 3.26 3.36 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 16 R 7.91 3.91 0.00 1.76 1.90 0.00 3.08 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 17 A 8.61 4.06 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 18 N 8.01 4.24 0.00 2.71 2.73 0.00 0.00 7.12 7.77 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 19 D 7.91 4.53 0.00 2.83 2.90 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 20 R 7.39 3.88 0.00 1.85 1.97 0.00 3.08 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 21 E 8.62 4.09 0.00 1.94 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 2.28 2.30 0.00 22 G 7.96 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 0.00 0.00 0.00 23 P 0.00 5.20 0.00 2.15 2.13 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 24 I 8.94 4.82 1.90 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 1.55 1.13 0.87 0.00 0.00 25 H 8.72 5.70 0.00 3.24 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.24 4.37 0.00 1.77 1.53 1.02 0.45 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 28 N 8.72 5.14 0.00 1.44 1.74 0.00 0.00 6.34 7.33 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 29 L 9.11 4.51 0.00 0.48 0.13 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.76 4.68 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 1.00 0.00 0.00 1.19 0.00 0.00 31 R 9.53 4.97 0.00 1.89 2.03 0.00 2.67 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 32 L 8.80 4.75 0.00 1.48 1.44 0.92 0.81 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 33 R 8.89 4.35 0.00 1.87 2.10 0.00 2.75 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 34 P 0.00 4.38 0.00 2.11 2.13 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 35 R 7.82 4.79 0.00 1.57 1.71 0.00 3.28 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 36 A 8.47 4.41 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 37 A 8.13 4.78 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 38 Y 8.19 4.04 0.00 2.92 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 39 P 0.00 4.59 0.00 2.09 2.04 0.00 4.12 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 2.04 1.98 0.00 40 D 9.07 4.18 0.00 2.84 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 0.00 0.00 0.00 *43 E 9.46 4.21 0.00 2.01 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 2.13 1.88 0.00 44 T 7.42 4.37 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 1.21 0.00 0.00 45 T 8.09 4.85 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 1.23 0.00 0.00 46 G 8.58 4.14 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 0.00 47 A 8.18 4.18 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 48 E 8.29 3.95 0.00 2.02 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 2.24 2.20 0.00 49 A 8.14 4.42 1.65 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 50 Y 8.60 3.98 0.00 3.03 2.99 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 51 A 8.26 4.04 1.44 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 0.00 0.00 52 A 8.24 3.81 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 53 Y 7.94 4.31 0.00 2.74 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 54 G 7.76 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.90 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 56 D 8.09 4.58 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 57 S 8.87 4.32 0.00 3.64 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 58 G 7.91 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 59 P 0.00 4.30 0.00 2.17 2.15 0.00 3.65 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 2.11 2.17 0.00 60 V 7.81 3.58 2.37 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 1.14 0.00 0.00 1.07 0.00 0.00 *61 F 8.47 4.15 0.00 2.65 2.48 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 62 E 8.95 3.96 0.00 1.96 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 2.25 2.20 0.00 63 R 7.63 4.13 0.00 1.98 2.20 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 64 L 7.83 4.47 0.00 1.77 1.78 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.73 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 66 G 7.96 3.49 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 0.00 67 K 8.39 4.64 0.00 1.76 1.80 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.37 7.81 68 V 8.34 4.22 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 0.82 0.00 0.00 0.95 0.00 0.00 69 V 8.79 3.83 2.35 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 0.92 0.00 0.00 0.97 0.00 0.00 70 W 7.73 5.32 0.00 3.43 3.01 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 0.00 0.00 0.00 71 Q 6.84 3.84 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 72 G 7.41 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 73 Q 8.29 4.62 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 74 F 8.98 4.12 0.00 3.19 3.01 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 0.00 0.00 0.00 75 E 8.16 4.55 0.00 1.79 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 2.17 2.38 0.00 76 L 6.24 3.97 0.00 1.42 1.01 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *78 L 8.66 4.39 0.00 1.64 1.73 0.93 0.88 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 79 I 8.34 4.44 1.90 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 1.36 0.81 0.94 0.00 0.00 80 G 8.68 4.34 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 0.00 81 P 0.00 4.41 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 82 Q 8.98 4.00 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.97 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 83 D 8.35 4.56 0.00 2.68 2.65 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 84 E 7.42 3.64 0.00 2.02 1.72 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 2.22 2.22 0.00 85 H 7.32 3.67 0.00 2.57 2.88 0.00 5.50 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 86 W 7.05 4.74 0.00 3.36 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 87 D 8.88 4.66 0.00 2.68 2.71 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 88 H 8.21 4.96 0.00 3.10 3.37 0.00 5.75 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 89 V 8.39 5.04 2.18 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 1.37 0.00 0.00 1.16 0.00 0.00 90 F 8.53 5.17 0.00 3.26 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 91 I 9.27 4.85 2.24 0.00 0.00 0.69 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 1.19 1.09 0.00 0.00 92 A 8.81 5.16 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 93 E 9.32 4.87 0.00 1.95 1.81 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 2.20 2.12 0.00 94 Y 8.85 5.18 0.00 3.14 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 95 P 0.00 4.50 0.00 2.23 2.22 0.00 4.04 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 96 S 7.70 4.80 0.00 4.06 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 97 V 8.33 3.66 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 0.74 0.00 0.00 0.40 0.00 0.00 98 A 8.02 4.03 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 99 A 7.72 4.01 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 0.00 100 F 7.93 3.73 0.00 2.87 3.36 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 0.00 101 V 8.05 3.95 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 0.95 0.00 0.00 1.02 0.00 0.00 102 E 8.09 3.82 0.00 2.28 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 2.43 2.52 0.00 *104 I 7.80 3.22 2.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.84 0.89 0.00 0.00 105 R 7.29 4.32 0.00 1.94 1.97 0.00 3.26 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 106 D 7.70 4.42 0.00 2.80 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 0.00 107 P 0.00 4.27 0.00 2.22 2.10 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 108 V 8.36 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 109 Y 8.08 3.86 0.00 3.17 3.04 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 0.00 110 R 8.89 4.11 0.00 2.08 2.06 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 111 E 8.47 4.10 0.00 1.98 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 2.24 2.19 0.00 112 A 8.14 4.36 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 0.00 113 V 7.71 3.12 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 0.76 0.00 0.00 0.93 0.00 0.00 114 K 7.33 3.83 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.38 7.81 115 H 7.59 4.33 0.00 3.31 3.58 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.50 3.78 0.00 0.67 1.25 0.00 2.95 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 117 Q 8.28 3.90 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 118 A 7.63 4.26 0.65 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 0.00 119 A 7.89 4.34 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 0.00 120 V 7.28 4.18 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 0.95 0.00 0.00 1.14 0.00 0.00 121 E 8.86 4.23 0.00 2.14 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 2.32 2.25 0.00 122 D 7.90 4.82 0.00 2.86 2.53 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 0.00 123 S 9.12 5.46 0.00 3.39 3.55 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 0.00 0.00 0.00 0.00 124 R 8.85 4.62 0.00 1.23 1.61 0.00 3.15 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 125 L 8.38 4.76 0.00 1.53 1.46 1.02 1.03 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 0.00 126 I 8.69 4.49 1.82 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 1.06 0.68 0.89 0.00 0.00 127 R 8.56 4.57 0.00 1.95 1.89 0.00 2.96 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 128 L 9.17 4.81 0.00 1.72 1.47 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.66 4.62 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 0.98 7.81 130 P 0.00 4.31 0.00 2.06 1.68 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 131 L 7.99 4.76 0.00 1.56 1.56 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.39 4.13 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 133 P 0.00 4.45 0.00 2.02 1.99 0.00 3.91 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 2.02 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.