NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2885 8.0327 115.2471 61.4008 68.7240 175.4592 6 D 4.2077 9.2504 119.3429 56.4513 40.5717 175.2764 7 R 4.2269 8.1179 120.5687 59.2770 30.6912 177.9381 8 T 3.8599 8.1205 109.0236 64.9096 68.4608 175.6301 9 Q 3.8883 8.0585 121.7760 59.0653 28.8321 177.7232 10 E 3.9659 8.7222 119.8506 60.0274 29.5766 179.8693 11 I 4.0327 8.4320 122.0519 64.9544 37.0217 179.2463 12 Q 4.0102 8.0252 121.6837 59.9865 27.9246 180.9515 13 K 4.0044 8.3622 122.3852 59.2376 32.3231 178.5132 14 L 3.8238 8.0822 120.5800 58.3138 42.1015 178.2810 15 H 4.0427 8.3509 118.1945 59.3871 29.5802 176.5061 16 E 3.8045 8.1546 119.8606 59.4022 29.3939 178.6701 17 L 4.0210 7.7262 117.9981 57.1204 42.0971 178.6443 18 I 4.0616 7.2253 109.8316 60.0539 37.9643 176.9564 19 K 3.6184 7.3475 122.0889 59.5790 31.9024 177.1272 20 N 4.8645 7.8810 112.6000 52.8033 38.8889 174.0492 21 I 4.4426 7.5753 122.0650 60.3190 39.4396 176.2188 22 D 4.3443 8.8143 124.4829 55.4716 40.1271 172.3774 23 Y 5.2621 7.7971 116.1529 55.9748 41.7208 174.6590 24 G 3.3207 8.1701 109.8972 46.2603 0.0000 175.3122 *26 F 4.5553 8.6220 131.0276 58.0954 40.4732 172.0771 27 T 5.3453 8.8537 123.7057 62.0561 71.2908 173.7593 28 T 5.0200 9.1259 115.0980 59.9502 73.0258 172.4225 29 V 4.8339 8.3513 120.9809 61.2358 33.8553 174.6805 30 D 4.8432 8.9981 127.4615 52.6153 42.7279 176.7749 31 D 4.3814 8.6271 121.0169 57.0518 40.7744 177.3697 32 D 4.5625 8.1298 116.2731 53.2453 39.6766 177.2473 33 G 3.9392 8.3796 109.4468 45.2911 0.0000 174.1741 34 S 4.4374 8.3116 115.0070 58.0013 64.7541 173.0621 35 L 5.1698 8.2054 120.9195 53.4470 43.6988 175.5811 36 H 5.0380 9.0592 119.9451 53.8617 32.6028 172.6930 37 S 5.2803 8.3419 115.7221 56.8407 65.9459 172.8749 38 Y 4.9196 8.7991 118.7168 55.6654 41.5883 173.5813 39 P 5.0873 0.0000 0.0000 62.0711 33.0210 175.2745 *41 S 4.6982 8.3460 113.8581 58.0135 62.9912 173.1084 42 K 4.1185 8.7282 127.1869 56.8080 33.3343 176.5117 43 S 4.7088 8.4054 119.4559 57.7818 65.3514 175.1538 44 G 3.8938 8.9406 113.4456 46.1806 0.0000 173.1770 45 D 4.6059 8.4488 114.6754 54.4618 41.7154 174.8203 *49 E 4.0230 7.7830 116.7075 55.8804 31.2585 176.1509 50 A 4.2785 7.7380 123.4638 50.8082 16.5394 176.7015 51 T 4.9982 7.3050 110.1464 59.3881 72.7289 175.1171 52 L 4.8765 8.7040 123.1278 52.7957 45.7885 175.4058 53 W 5.3602 8.1538 119.7186 55.0612 33.3180 174.3601 54 F 5.3070 9.1962 121.4578 55.7294 42.9944 174.1443 55 F 4.7361 9.1478 121.1119 57.8911 39.9075 174.4785 56 T 4.8825 8.9385 116.3175 61.4523 71.7936 171.2433 57 Y 5.2299 8.5325 119.8972 56.2907 39.3252 177.5741 58 A 4.0129 9.3199 127.4851 54.8319 18.6914 178.5439 59 G 3.9779 8.6535 103.5570 45.7298 0.0000 174.8684 60 S 4.3604 7.9748 116.1777 58.2822 65.0220 174.7226 61 H 4.1997 8.7172 122.5303 59.2228 29.6883 177.6548 62 K 4.4110 7.7800 121.6532 59.4063 32.1809 179.2067 63 V 3.5686 7.4029 118.2983 65.9048 31.5331 178.0967 64 T 3.8426 7.6561 109.7972 64.7113 68.4921 176.3553 65 E 4.0556 8.2217 121.5916 59.2720 29.3801 179.4527 66 I 4.4450 7.8808 114.1446 63.3421 37.4444 178.0008 67 E 4.1095 8.2453 119.8813 59.0942 29.2648 178.0466 68 H 5.0145 7.6441 113.7449 56.2259 30.0302 174.4544 69 H 4.6949 8.6896 120.4925 53.8569 30.7925 172.9839 70 E 4.3459 8.3868 125.7686 58.3130 30.8665 177.2056 71 Q 4.5738 7.8445 119.4182 56.1632 29.5788 176.0082 72 V 4.6682 9.0120 116.0178 59.7817 37.0805 173.5216 73 N 5.3422 8.6213 119.2418 51.8508 42.5032 172.9902 74 V 4.5329 8.7996 125.2704 60.9905 33.9182 174.2171 75 S 5.4251 8.4417 122.0503 56.6897 66.1068 172.8518 76 F 5.3405 9.4331 120.8509 55.8081 42.1743 174.1427 77 S 5.0536 8.9043 117.5690 56.7653 66.2798 174.1774 78 S 4.2662 8.8319 118.0308 56.6289 64.0384 172.3242 79 P 4.2934 0.0000 0.0000 65.6282 31.4194 179.0336 80 E 3.9481 8.2571 115.7818 59.1359 29.4411 177.6838 81 Q 4.3403 7.9583 114.7177 54.8829 29.7080 175.4296 82 Q 3.7060 8.1385 117.4506 56.1212 26.9799 173.2423 83 R 5.3873 7.7553 111.9720 55.4921 33.8189 174.9018 84 Y 5.2094 9.4931 118.5168 56.4616 42.2034 174.4361 85 V 5.1427 9.4809 123.8582 61.2509 35.2349 173.8105 86 S 5.1343 9.9497 122.8723 56.6946 64.8546 172.4740 87 I 4.9008 9.0242 128.8726 59.9043 39.4029 174.7008 88 S 5.0120 9.2317 124.9883 57.4753 64.7730 174.2302 89 G 4.3843 8.6022 110.8027 45.5539 0.0000 171.2362 90 T 5.2104 8.6493 109.1951 59.8228 71.6163 173.2429 91 S 5.4849 8.9219 118.6817 56.7643 65.3112 173.0475 92 Q 4.6546 8.7944 122.0323 54.3709 32.3018 173.4534 93 L 4.6385 8.5419 123.7024 54.9527 43.1282 175.9194 94 V 4.4715 9.2727 126.1262 60.9010 34.4674 175.7770 95 K 4.6368 8.6056 125.3173 56.0295 32.5923 175.4652 96 D 4.4230 7.9984 119.1981 54.1095 40.7675 176.1285 97 R 4.0788 8.5751 127.1054 59.3498 30.6658 178.3336 98 N 4.4306 8.3731 115.0868 56.3197 38.7704 178.4528 99 K 4.1422 8.3512 118.3508 56.5540 31.3121 178.7479 *101 R 4.3289 8.1956 117.4790 55.8777 31.9320 177.8769 102 E 3.7965 8.3857 116.1671 59.0567 29.4579 178.1900 103 L 4.3267 7.8989 116.7929 55.1702 42.4405 177.0985 104 W 4.1967 7.7771 128.9053 57.3365 31.2768 175.1082 105 K 4.3941 6.7759 122.6854 53.3917 35.2701 175.2618 106 P 4.2809 0.0000 0.0000 66.0023 31.0037 178.7436 107 E 4.0001 7.9887 116.7261 59.1900 29.3951 178.7427 108 L 4.5083 7.5322 118.1802 56.6301 41.5791 178.7365 109 Q 4.5614 8.1101 120.1558 59.1126 28.6535 178.0455 110 T 3.6058 7.1689 116.4090 65.8955 68.3259 174.9506 111 W 4.5585 7.9067 117.3490 56.7713 30.6153 176.4352 112 F 5.2344 8.0776 116.5791 53.3155 38.8320 173.2768 113 P 4.4808 0.0000 0.0000 64.7596 31.8926 177.7468 114 K 4.3678 9.2786 116.1262 55.4484 33.2020 177.7579 115 G 3.1046 8.1368 110.4827 46.6581 0.0000 176.8719 116 L 3.8243 7.4280 122.8641 56.1683 41.5800 177.0469 117 D 4.5522 7.6187 117.7069 54.2675 40.9460 176.5368 118 E 4.1080 8.0584 121.3084 55.9677 29.8264 176.4736 119 P 4.2784 0.0000 0.0000 65.0856 31.6661 176.5275 120 D 4.9221 8.1817 116.2628 53.6530 41.5956 174.7822 121 I 4.4280 7.4726 117.7315 61.5373 38.8537 174.8253 122 A 4.6882 8.9723 128.8745 51.3346 23.1850 174.4188 123 L 5.0679 8.7856 116.3170 53.1597 45.5180 176.0949 124 L 5.0978 9.1949 122.4561 53.0917 44.0265 175.2394 125 K 3.9775 8.8429 126.0864 54.5647 34.1697 175.0695 126 V 4.6625 8.4697 127.7555 61.1060 33.8497 174.2327 127 N 4.7257 8.9646 127.5303 52.8199 39.4199 174.7336 128 I 4.3111 8.3183 126.0766 61.4081 37.5836 175.4999 129 N 4.9237 9.5778 124.3044 54.7220 40.8217 174.8961 130 Q 4.7781 7.8990 118.0313 54.5120 33.2384 173.3191 131 V 4.9822 9.1092 125.5454 61.2246 34.6609 173.6799 132 N 5.4483 9.3267 125.6584 51.5586 41.2985 173.3216 133 Y 5.5393 8.0722 120.5690 55.1795 42.4849 174.1002 134 W 5.3223 9.9017 120.4739 55.2014 32.7787 174.3108 135 D 5.6424 9.2527 123.5362 51.9515 42.8511 176.4795 136 S 3.4142 8.5480 112.9099 61.3296 62.9798 176.7119 137 T 3.7954 7.9125 110.3133 64.2780 68.6447 174.7291 138 S 4.4228 8.6166 115.1124 57.1917 63.1866 174.1940 139 S 3.6861 8.3008 114.9323 59.9153 60.7573 172.3362 140 F 4.1175 7.7482 114.1635 58.5267 36.9998 175.4366 141 K 4.8314 7.8673 119.2719 54.2745 33.5567 174.9594 142 P 3.2782 0.0000 0.0000 62.8107 31.7186 175.5300 143 Q 4.4100 7.9281 123.1837 54.0601 32.0129 174.7102 144 T 4.9727 7.9693 116.8250 61.8738 72.7056 173.3168 145 I 4.4714 8.9318 125.7785 59.5088 40.5327 174.6538 146 S 4.9320 8.3378 121.7747 56.5400 65.9809 174.0882 147 F 4.6105 8.7369 121.9330 57.6130 38.6722 175.4841 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 5 T 8.03 4.29 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 1.27 0.00 0.00 6 D 9.25 4.21 0.00 2.91 2.67 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 7 R 8.12 4.23 0.00 1.99 1.97 0.00 3.37 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 8 T 8.12 3.86 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 1.24 0.00 0.00 9 Q 8.06 3.89 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 10 E 8.72 3.97 0.00 2.33 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 0.00 2.29 2.56 0.00 11 I 8.43 4.03 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.87 0.00 0.00 12 Q 8.03 4.01 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 13 K 8.36 4.00 0.00 1.79 1.94 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.32 1.17 7.81 14 L 8.08 3.82 0.00 1.88 1.98 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.35 4.04 0.00 3.33 3.49 0.00 5.85 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 16 E 8.15 3.80 0.00 1.90 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 2.25 2.45 0.00 17 L 7.73 4.02 0.00 1.67 1.58 0.20 0.52 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 18 I 7.23 4.06 0.99 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 1.41 0.59 0.65 0.00 0.00 19 K 7.35 3.62 0.00 1.66 1.72 0.00 1.69 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.33 7.81 20 N 7.88 4.86 0.00 2.66 2.75 0.00 0.00 6.71 7.45 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 21 I 7.58 4.44 1.84 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 1.18 0.56 1.15 0.00 0.00 22 D 8.81 4.34 0.00 2.60 2.66 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 23 Y 7.80 5.26 0.00 3.02 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 24 G 8.17 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 F 8.62 4.56 0.00 2.86 2.95 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 0.00 0.00 0.00 27 T 8.85 5.35 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 1.25 0.00 0.00 28 T 9.13 5.02 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 1.53 0.00 0.00 29 V 8.35 4.83 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 0.76 0.00 0.00 0.88 0.00 0.00 30 D 9.00 4.84 0.00 2.79 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 31 D 8.63 4.38 0.00 2.76 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 32 D 8.13 4.56 0.00 2.77 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 33 G 8.38 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 34 S 8.31 4.44 0.00 3.82 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 35 L 8.21 5.17 0.00 1.43 1.54 0.91 0.97 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 36 H 9.06 5.04 0.00 3.05 2.75 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.34 5.28 0.00 3.79 3.74 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 38 Y 8.80 4.92 0.00 2.69 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 39 P 0.00 5.09 0.00 1.90 2.02 0.00 3.45 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 *41 S 8.35 4.70 0.00 3.92 3.95 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 0.00 0.00 0.00 42 K 8.73 4.12 0.00 1.61 2.12 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.48 1.38 7.81 43 S 8.41 4.71 0.00 3.92 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 44 G 8.94 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 45 D 8.45 4.61 0.00 2.68 2.55 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 *49 E 7.78 4.02 0.00 1.98 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 2.22 2.30 0.00 50 A 7.74 4.28 0.28 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 0.00 0.00 51 T 7.30 5.00 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 1.08 0.00 0.00 52 L 8.70 4.88 0.00 1.61 1.36 1.31 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.15 5.36 0.00 3.19 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 54 F 9.20 5.31 0.00 2.98 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 55 F 9.15 4.74 0.00 2.81 2.25 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 56 T 8.94 4.88 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 1.22 0.00 0.00 57 Y 8.53 5.23 0.00 3.05 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 58 A 9.32 4.01 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 59 G 8.65 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.97 4.36 0.00 4.05 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 61 H 8.72 4.20 0.00 3.28 3.40 0.00 5.87 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 62 K 7.78 4.41 0.00 1.66 1.19 0.00 1.19 0.00 0.00 0.86 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.04 7.81 63 V 7.40 3.57 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 1.09 0.00 0.00 0.96 0.00 0.00 64 T 7.66 3.84 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 1.29 0.00 0.00 65 E 8.22 4.06 0.00 2.24 2.26 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 2.32 2.30 0.00 66 I 7.88 4.45 1.94 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 1.57 2.06 1.12 0.00 0.00 67 E 8.25 4.11 0.00 2.10 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 2.45 2.53 0.00 68 H 7.64 5.01 0.00 3.18 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.69 4.69 0.00 3.16 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.39 4.35 0.00 2.23 2.19 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 2.30 2.13 0.00 71 Q 7.84 4.57 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 72 V 9.01 4.67 1.57 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 0.85 0.00 0.00 0.71 0.00 0.00 73 N 8.62 5.34 0.00 2.69 2.52 0.00 0.00 7.03 7.86 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 74 V 8.80 4.53 2.17 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 0.72 0.00 0.00 0.67 0.00 0.00 75 S 8.44 5.43 0.00 4.05 4.09 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 76 F 9.43 5.34 0.00 3.01 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 77 S 8.90 5.05 0.00 3.89 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 78 S 8.83 4.27 0.00 3.84 3.68 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 79 P 0.00 4.29 0.00 2.25 2.17 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 80 E 8.26 3.95 0.00 1.97 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 0.00 2.34 2.36 0.00 81 Q 7.96 4.34 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 82 Q 8.14 3.71 0.00 2.37 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 83 R 7.76 5.39 0.00 1.95 2.02 0.00 2.76 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 84 Y 9.49 5.21 0.00 3.27 2.98 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 0.00 0.00 0.00 85 V 9.48 5.14 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 1.24 0.00 0.00 1.07 0.00 0.00 86 S 9.95 5.13 0.00 4.19 4.15 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 0.00 0.00 0.00 0.00 87 I 9.02 4.90 2.16 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 1.03 0.00 0.00 88 S 9.23 5.01 0.00 3.77 3.79 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 89 G 8.60 4.38 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 0.00 90 T 8.65 5.21 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 1.25 0.00 0.00 91 S 8.92 5.48 0.00 3.96 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 92 Q 8.79 4.65 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 93 L 8.54 4.64 0.00 1.68 1.63 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.27 4.47 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 1.19 0.00 0.00 1.03 0.00 0.00 95 K 8.61 4.64 0.00 1.78 1.79 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 96 D 8.00 4.42 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 4.08 0.00 1.82 1.96 0.00 3.42 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 98 N 8.37 4.43 0.00 2.87 2.81 0.00 0.00 6.79 8.29 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 99 K 8.35 4.14 0.00 1.56 1.60 0.00 1.29 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 *101 R 8.20 4.33 0.00 2.10 2.00 0.00 3.16 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 102 E 8.39 3.80 0.00 1.96 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 2.29 2.45 0.00 103 L 7.90 4.33 0.00 1.66 1.75 0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.78 4.20 0.00 3.29 3.02 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 0.00 105 K 6.78 4.39 0.00 1.78 1.65 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.97 1.23 7.81 106 P 0.00 4.28 0.00 2.14 2.20 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 107 E 7.99 4.00 0.00 2.05 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 2.41 2.45 0.00 108 L 7.53 4.51 0.00 0.27 1.58 0.40 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.11 4.56 0.00 2.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.83 0.00 110 T 7.17 3.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 111 W 7.91 4.56 0.00 3.31 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.08 5.23 0.00 3.56 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 0.00 113 P 0.00 4.48 0.00 2.09 2.16 0.00 4.06 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 114 K 9.28 4.37 0.00 1.94 1.81 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.59 7.81 115 G 8.14 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 0.00 0.00 0.00 116 L 7.43 3.82 0.00 1.27 1.50 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.62 4.55 0.00 2.80 2.66 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 0.00 118 E 8.06 4.11 0.00 2.22 2.20 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 2.61 2.82 0.00 119 P 0.00 4.28 0.00 2.22 2.22 0.00 3.83 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 2.05 1.99 0.00 120 D 8.18 4.92 0.00 2.88 2.98 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 0.00 0.00 0.00 121 I 7.47 4.43 1.93 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.98 0.00 0.00 122 A 8.97 4.69 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 0.00 123 L 8.79 5.07 0.00 1.80 1.72 0.64 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.19 5.10 0.00 1.66 1.69 0.52 0.81 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 0.00 125 K 8.84 3.98 0.00 1.00 1.29 0.00 1.23 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.68 0.21 7.81 126 V 8.47 4.66 2.17 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 1.01 0.00 0.00 1.22 0.00 0.00 127 N 8.96 4.73 0.00 2.69 2.69 0.00 0.00 6.63 7.48 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 0.00 128 I 8.32 4.31 1.94 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 1.28 0.52 1.16 0.00 0.00 129 N 9.58 4.92 0.00 2.76 2.87 0.00 0.00 6.06 7.23 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 0.00 130 Q 7.90 4.78 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 131 V 9.11 4.98 2.17 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 1.05 0.00 0.00 1.10 0.00 0.00 132 N 9.33 5.45 0.00 2.66 2.18 0.00 0.00 6.07 8.21 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 0.00 133 Y 8.07 5.54 0.00 3.15 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 0.00 134 W 9.90 5.32 0.00 3.57 3.30 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 0.00 135 D 9.25 5.64 0.00 2.90 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 0.00 136 S 8.55 3.41 0.00 3.97 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 0.00 137 T 7.91 3.80 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 1.18 0.00 0.00 138 S 8.62 4.42 0.00 3.90 4.13 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 0.00 0.00 0.00 139 S 8.30 3.69 0.00 4.05 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 0.00 140 F 7.75 4.12 0.00 3.35 3.29 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 0.00 141 K 7.87 4.83 0.00 2.01 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.25 7.81 142 P 0.00 3.28 0.00 1.73 1.89 0.00 3.72 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 1.91 2.09 0.00 143 Q 7.93 4.41 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 144 T 7.97 4.97 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 1.22 0.00 0.00 145 I 8.93 4.47 1.77 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 1.20 0.79 0.37 0.00 0.00 146 S 8.34 4.93 0.00 3.57 3.64 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 0.00 147 F 8.74 4.61 0.00 3.07 2.87 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 * Residues marked with a * may have inaccurate shift predictions.