NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2913 8.1593 110.9523 62.6334 70.5283 174.3544 6 E 3.8563 8.8907 117.7793 55.2586 27.3928 172.3142 7 E 4.6169 9.3923 122.9188 56.6692 31.3295 178.9608 8 Q 3.6842 8.3778 121.2521 59.3603 28.4961 179.2742 9 I 3.6399 7.4374 119.5844 64.3816 37.2288 178.1775 10 A 4.0826 7.9312 120.9759 55.0220 18.1091 179.4935 11 E 3.9116 7.6191 116.2049 59.6771 29.5094 179.3408 12 F 4.7787 8.3067 118.1479 60.9550 39.0546 178.0140 13 K 4.5467 8.5339 118.1003 59.3627 31.8548 179.0695 14 E 3.9977 8.6932 119.6770 59.2146 29.3962 178.5827 15 A 4.1282 8.6802 121.1440 55.3983 18.5594 179.1012 16 F 2.9454 8.6949 119.5532 61.3765 39.1752 177.5399 17 S 4.3963 8.2590 112.0507 60.8246 62.9451 175.8703 18 L 3.9904 7.5609 123.9130 58.0155 41.8693 178.5714 19 F 4.1894 7.3751 116.6867 59.7873 40.5773 176.8628 20 D 4.4929 7.8947 119.6612 52.8062 37.2982 176.0675 21 K 3.8419 7.8920 124.1433 59.1855 32.7762 177.2010 22 D 4.4341 8.3442 115.5349 53.6203 39.6295 177.2117 23 G 3.9775 8.1532 108.0843 45.9863 0.0000 174.1890 24 D 4.4356 8.0296 118.2195 54.2314 39.7589 177.3759 25 G 4.2311 10.5162 110.0988 45.2716 0.0000 173.0956 26 T 5.1958 8.2563 108.0753 59.9012 72.3701 173.2159 27 I 4.6021 9.2671 125.4801 60.0214 39.5970 176.0113 28 T 4.5942 8.6089 118.3400 60.6702 71.1267 176.0388 29 T 3.8142 8.5322 111.2675 65.2384 68.6604 175.4906 30 K 3.7173 8.2418 121.6930 59.6765 32.0004 177.6995 31 E 4.0098 8.4431 118.1391 59.6989 29.5153 179.7021 32 L 4.2591 7.9903 120.1197 57.9704 42.2445 178.8280 33 G 3.7948 8.4066 106.1852 48.4750 0.0000 175.4857 34 T 3.8826 8.1607 117.5270 66.3023 68.7622 176.5831 35 V 3.6194 7.8245 119.9965 66.0382 31.5105 177.7027 36 M 4.1019 8.5671 118.4744 58.8007 31.9219 178.4462 37 R 4.9020 8.0316 119.5350 58.6381 30.0338 179.0026 38 S 4.2468 7.8335 114.1256 60.8117 62.9071 175.6792 39 L 4.3371 7.6473 119.3701 55.1094 41.6568 177.2792 40 G 3.9736 7.8207 107.4430 45.4174 0.0000 173.2900 41 Q 4.6656 7.9498 117.9235 53.9378 31.2650 174.8239 42 N 5.0582 8.1628 117.6459 51.4383 39.5482 170.7821 43 P 4.6653 0.0000 0.0000 61.4208 32.7629 177.2859 44 T 4.0244 8.3079 116.0717 61.9188 69.4179 174.4474 45 E 3.9240 8.6564 123.8039 59.0706 29.5780 178.6628 46 A 3.9392 7.9460 120.3781 55.2341 18.7128 178.6609 47 E 3.8459 8.3223 117.3311 59.8867 29.3908 179.1519 48 L 4.0443 7.6641 118.5775 57.8150 41.6553 179.3591 49 Q 3.9696 7.9931 117.7859 59.0243 28.6183 178.4822 50 D 4.1782 7.9580 118.7911 57.4994 41.0524 178.2528 51 M 4.1014 7.9817 118.9336 58.2039 31.8078 178.8687 52 I 3.7561 7.9651 120.3738 64.4837 37.1029 178.2724 53 N 4.4301 8.5795 116.7109 56.0959 38.3566 177.0674 54 E 4.1310 8.1387 119.5901 58.3139 29.6224 178.5038 55 V 4.2936 6.8681 109.1456 60.4296 34.2005 176.2139 56 D 4.7278 7.5999 121.0507 53.0469 39.4588 176.5723 57 A 4.0920 7.9379 124.4490 54.2564 19.1994 178.4783 58 D 4.5008 8.0845 113.5959 53.5319 40.0625 177.6337 59 G 3.9200 8.2437 108.4736 45.7341 0.0000 173.8921 60 N 4.4878 8.2877 115.4670 53.0459 37.9274 176.0436 61 G 3.9889 10.1526 108.9049 45.2032 0.0000 172.7169 62 T 4.8413 7.6845 107.8960 60.0392 72.7038 173.1490 63 I 4.9034 9.0807 123.0696 59.3319 39.1876 175.7194 64 D 5.4615 8.6365 127.7663 52.4385 42.5542 176.6813 65 F 3.3369 8.7709 119.0300 61.1091 39.4977 175.9347 66 P 4.3482 0.0000 0.0000 65.7774 31.0265 178.1813 67 E 3.9592 8.7128 118.6292 59.2020 29.3059 179.0178 68 F 4.1471 8.5722 120.9351 61.2156 39.4110 177.2039 69 L 3.5461 7.9112 118.6468 57.8953 41.3635 179.7015 70 T 3.7163 7.6697 115.4765 66.6152 68.4010 176.2113 71 M 3.8304 8.2723 120.4888 59.0085 32.0519 178.1710 72 M 3.7480 7.7447 118.5900 58.1250 32.0731 178.4693 73 A 3.8735 7.9188 121.0347 55.1729 18.6023 179.3638 74 R 3.7826 7.8389 116.9912 59.6691 30.0067 178.8792 75 K 3.8938 7.9857 117.8189 59.6080 32.2650 178.6410 76 M 3.9592 8.1443 118.9168 58.8310 32.0514 178.0004 77 K 3.8639 8.0856 119.1581 59.8946 32.4082 178.4600 78 D 4.3952 8.1786 118.8734 57.4964 40.7297 178.7519 79 T 3.9202 8.6627 116.8312 66.8552 68.4974 176.1104 80 D 4.3538 8.1066 120.3603 56.9662 41.0560 178.3460 81 S 4.1227 7.9287 113.3189 61.8125 62.3880 176.5636 82 E 4.0741 8.2584 119.9508 59.3292 29.4781 178.3133 83 E 3.9572 8.4560 120.7735 58.9600 29.4577 178.4450 84 E 4.2347 8.1155 116.8524 58.5443 30.1648 178.6733 85 I 3.9063 7.8632 120.8583 64.5758 37.4014 178.3255 86 R 4.2773 8.4235 119.3949 59.4320 29.8438 178.1875 87 E 3.9939 8.5247 119.1700 59.2108 29.6662 178.6840 88 A 4.1202 8.7371 121.3490 54.8130 18.3805 179.3198 89 F 3.4502 9.0091 119.8364 61.4428 39.2605 177.1707 90 R 3.8931 7.7973 116.5332 59.4568 29.8739 178.1067 91 V 3.6162 7.5451 116.7458 66.1719 31.5529 177.8036 92 F 4.2840 7.5192 115.8857 59.7684 40.3869 176.7353 93 D 4.6322 7.8973 119.8632 53.2981 37.4997 176.6774 94 K 4.0093 7.8500 121.8686 58.8787 32.9287 178.2377 95 D 4.4284 8.0477 116.0779 53.3265 39.4179 176.6924 96 G 3.9469 7.9684 107.7702 46.7593 0.0000 173.9152 97 N 4.6366 8.5894 114.7956 52.4654 37.4451 176.2160 98 G 3.9409 9.3742 108.2455 45.6850 0.0000 172.6926 99 Y 5.0749 7.4284 115.6806 56.1606 42.0991 174.9623 100 I 4.3592 9.3818 126.0499 60.2120 38.4146 175.8502 101 S 4.7738 8.9917 122.5651 57.2085 64.7557 175.4867 102 A 3.9678 8.6180 121.7427 55.2186 18.0946 179.8572 103 A 3.8959 7.9087 118.9476 55.2742 18.6271 179.5849 104 E 3.9745 8.3270 117.2746 59.2544 29.4995 179.3732 105 L 3.9545 8.3165 120.8759 58.0709 42.1255 178.6305 106 R 3.8840 8.5511 119.1715 59.9491 29.9830 177.4642 107 H 3.9626 8.3361 117.7310 59.5471 29.6095 177.1816 108 V 3.5519 8.0103 119.2936 66.4823 31.3024 177.6636 109 M 4.0144 8.1270 117.0676 59.0894 31.8836 178.9830 110 T 4.0431 8.0623 114.8203 66.8928 68.8668 176.5582 111 N 4.4235 7.8974 116.7880 55.8940 38.5057 177.2045 112 L 4.0388 7.3843 121.4193 56.5966 42.4348 176.8967 *115 K 4.0358 7.4458 118.5691 56.0833 32.7449 174.4409 116 L 4.9243 8.2297 125.4846 52.7010 44.8609 177.0124 117 T 4.2322 8.7974 116.9950 61.5748 69.3977 175.4735 118 D 4.3515 8.4698 123.2334 57.2306 40.9257 178.6202 119 E 3.9093 8.1020 119.4139 59.3052 29.8207 178.4817 120 E 3.9753 8.0746 118.0983 59.6732 29.5831 179.6831 121 V 3.7135 8.0343 112.3629 64.2298 31.5456 178.1456 122 D 4.3949 8.3499 119.0313 57.4848 40.6274 178.7092 123 E 3.8851 8.1343 119.3604 59.4838 29.4743 178.3551 124 M 4.0033 7.6397 116.5429 58.7472 32.3848 178.1202 125 I 3.8564 7.7812 119.7868 64.4453 37.2449 178.2261 126 R 3.8723 8.1855 119.7377 59.6799 29.6199 178.2872 127 E 3.9546 8.1578 117.0405 58.4555 29.5113 178.0970 128 A 4.6474 7.9769 118.1714 51.3836 21.5899 177.3243 129 D 4.6449 7.5460 119.4256 52.4893 37.9625 176.3657 130 I 3.7028 7.6951 123.5569 63.7476 37.7927 177.0726 131 D 4.5583 8.1796 116.5701 53.0350 39.8298 177.3158 132 G 3.9055 8.1942 108.6816 45.9330 0.0000 173.5540 133 D 4.5642 8.4237 117.5049 52.8747 39.5020 177.6015 134 G 3.9456 10.1306 108.7040 45.6923 0.0000 172.8919 135 Q 4.4742 8.0852 116.0695 54.9234 31.9468 173.9007 136 V 4.5152 8.9122 118.4739 61.2082 32.4885 175.1949 137 N 5.5302 9.2421 128.1869 51.1758 40.2835 175.0336 138 Y 3.4099 8.2216 119.6272 60.8582 38.2370 177.4837 139 E 3.6949 8.1253 118.9597 59.8486 29.6539 179.5989 140 E 4.0441 9.0611 118.5181 59.0159 29.3831 179.3013 141 F 4.2774 8.2364 121.0071 61.4238 39.3523 177.1408 142 V 3.3500 7.6632 116.9907 65.9161 31.1541 177.0632 143 Q 4.1331 7.2492 116.8594 58.3845 29.3455 176.6219 144 M 4.0189 8.1706 118.6847 58.7589 33.5768 177.4767 145 M 4.3166 7.4842 119.2641 55.1360 28.4139 174.6687 146 T 4.6773 7.3685 117.6007 64.2239 76.4400 175.5017 147 A 4.5382 7.3557 120.8283 51.0621 19.8704 174.4333 *161 I 4.0954 7.1508 123.1915 60.8562 39.0175 176.8765 162 R 3.9620 8.5882 118.4807 60.5913 29.7999 177.9001 163 N 4.5012 7.8153 114.1766 55.1334 38.7694 177.3829 164 K 3.9711 7.9959 120.8628 59.5492 32.2753 178.7168 165 I 3.8917 7.7002 119.5593 64.4154 37.1581 178.1315 166 R 3.9056 8.1913 119.3133 59.5615 29.8345 178.4762 167 A 4.0745 8.0530 120.2648 54.9966 18.2962 179.1456 168 I 3.7192 8.0971 118.6918 64.8674 37.1144 178.2984 169 G 3.8985 8.5538 106.2286 48.0204 0.0000 175.3316 170 K 3.9855 8.1943 122.1214 59.4911 32.1888 178.8326 171 M 4.2377 8.4557 119.0229 58.4919 31.6963 178.7026 172 A 4.1131 8.3369 120.2703 54.8946 18.5496 179.1369 173 R 3.9416 7.6364 116.7946 60.0595 30.2449 178.7678 174 V 3.5840 7.8068 117.3481 65.1615 31.5964 176.4197 175 F 4.3795 8.1395 121.8054 57.5633 39.0623 175.2345 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 8.16 4.29 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 1.24 0.00 0.00 6 E 8.89 3.86 0.00 2.22 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 2.09 2.43 0.00 7 E 9.39 4.62 0.00 2.00 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 2.20 2.25 0.00 8 Q 8.38 3.68 0.00 1.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 9 I 7.44 3.64 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.97 0.00 0.00 10 A 7.93 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.62 3.91 0.00 1.99 1.99 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 2.29 2.52 0.00 12 F 8.31 4.78 0.00 3.52 3.22 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 13 K 8.53 4.55 0.00 2.16 2.01 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.65 7.81 14 E 8.69 4.00 0.00 2.36 2.15 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 2.35 2.43 0.00 15 A 8.68 4.13 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 0.00 0.00 16 F 8.69 2.95 0.00 2.64 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 17 S 8.26 4.40 0.00 4.18 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 18 L 7.56 3.99 0.00 1.80 1.81 0.68 0.59 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 19 F 7.38 4.19 0.00 2.69 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 20 D 7.89 4.49 0.00 2.10 2.45 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 21 K 7.89 3.84 0.00 1.71 1.81 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 D 8.34 4.43 0.00 2.85 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 23 G 8.15 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 24 D 8.03 4.44 0.00 2.84 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 25 G 10.52 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 26 T 8.26 5.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 27 I 9.27 4.60 1.71 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.21 0.81 0.00 0.00 28 T 8.61 4.59 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 29 T 8.53 3.81 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 30 K 8.24 3.72 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 31 E 8.44 4.01 0.00 2.18 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 2.33 2.35 0.00 32 L 7.99 4.26 0.00 2.07 1.79 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.41 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 0.00 0.00 0.00 34 T 8.16 3.88 4.40 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 1.19 0.00 0.00 35 V 7.82 3.62 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 0.35 0.00 0.00 0.69 0.00 0.00 36 M 8.57 4.10 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 37 R 8.03 4.90 0.00 1.91 1.95 0.00 3.19 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 38 S 7.83 4.25 0.00 3.93 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 39 L 7.65 4.34 0.00 1.76 1.72 0.96 0.95 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 40 G 7.82 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 0.00 0.00 0.00 41 Q 7.95 4.67 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 42 N 8.16 5.06 0.00 2.61 2.67 0.00 0.00 7.01 7.69 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 43 P 0.00 4.67 0.00 2.23 2.19 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 44 T 8.31 4.02 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 1.25 0.00 0.00 45 E 8.66 3.92 0.00 2.12 1.93 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 2.38 2.44 0.00 46 A 7.95 3.94 1.32 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 47 E 8.32 3.85 0.00 2.04 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 0.00 2.39 2.44 0.00 48 L 7.66 4.04 0.00 1.87 1.69 1.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.99 3.97 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 50 D 7.96 4.18 0.00 2.79 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 51 M 7.98 4.10 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 52 I 7.97 3.76 1.99 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 1.49 1.52 0.94 0.00 0.00 53 N 8.58 4.43 0.00 2.64 2.87 0.00 0.00 7.12 6.89 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 54 E 8.14 4.13 0.00 1.92 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 2.32 2.43 0.00 55 V 6.87 4.29 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 0.67 0.00 0.00 0.96 0.00 0.00 56 D 7.60 4.73 0.00 2.88 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 57 A 7.94 4.09 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 58 D 8.08 4.50 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 68 F 8.57 4.15 0.00 3.26 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 69 L 7.91 3.55 0.00 1.89 1.45 0.37 0.64 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 70 T 7.67 3.72 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 71 M 8.27 3.83 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 72 M 7.74 3.75 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.58 0.00 73 A 7.92 3.87 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 74 R 7.84 3.78 0.00 2.08 1.88 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 75 K 7.99 3.89 0.00 1.95 1.77 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.53 7.81 76 M 8.14 3.96 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 77 K 8.09 3.86 0.00 1.91 2.05 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 78 D 8.18 4.40 0.00 2.77 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 0.00 79 T 8.66 3.92 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 1.23 0.00 0.00 80 D 8.11 4.35 0.00 2.90 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 81 S 7.93 4.12 0.00 3.89 4.08 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 82 E 8.26 4.07 0.00 2.32 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 0.00 2.33 2.38 0.00 83 E 8.46 3.96 0.00 2.15 2.30 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 2.34 2.36 0.00 84 E 8.12 4.23 0.00 2.25 2.24 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 2.54 2.40 0.00 85 I 7.86 3.91 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 1.41 0.55 1.23 0.00 0.00 86 R 8.42 4.28 0.00 1.90 2.10 0.00 3.04 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 87 E 8.52 3.99 0.00 2.38 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 0.00 2.38 2.41 0.00 88 A 8.74 4.12 1.88 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 0.00 0.00 89 F 9.01 3.45 0.00 3.02 3.13 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 90 R 7.80 3.89 0.00 2.04 2.19 0.00 3.50 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 91 V 7.55 3.62 1.99 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 0.51 0.00 0.00 0.93 0.00 0.00 92 F 7.52 4.28 0.00 2.82 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 93 D 7.90 4.63 0.00 2.01 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 0.00 0.00 0.00 0.00 94 K 7.85 4.01 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.46 7.81 95 D 8.05 4.43 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 96 G 7.97 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 0.00 0.00 0.00 97 N 8.59 4.64 0.00 2.98 2.98 0.00 0.00 6.97 7.01 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 98 G 9.37 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 99 Y 7.43 5.07 0.00 2.85 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 0.00 100 I 9.38 4.36 1.87 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.34 0.74 0.00 0.00 101 S 8.99 4.77 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 3.97 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 0.00 103 A 7.91 3.90 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.33 3.97 0.00 2.19 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 2.30 2.30 0.00 105 L 8.32 3.95 0.00 1.76 1.85 0.67 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.55 3.88 0.00 1.98 2.07 0.00 3.34 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.34 3.96 0.00 3.53 3.47 0.00 5.83 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 0.00 108 V 8.01 3.55 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 0.71 0.00 0.00 0.89 0.00 0.00 109 M 8.13 4.01 0.00 2.09 2.40 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.07 0.00 110 T 8.06 4.04 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 1.18 0.00 0.00 111 N 7.90 4.42 0.00 2.75 2.86 0.00 0.00 7.09 8.01 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 0.00 112 L 7.38 4.04 0.00 1.59 1.86 1.04 0.61 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 7.45 4.04 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 116 L 8.23 4.92 0.00 1.64 1.52 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.80 4.23 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 1.26 0.00 0.00 118 D 8.47 4.35 0.00 2.73 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 0.00 119 E 8.10 3.91 0.00 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0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 136 V 8.91 4.52 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 1.23 0.00 0.00 0.99 0.00 0.00 137 N 9.24 5.53 0.00 2.93 3.14 0.00 0.00 6.46 8.43 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 0.00 138 Y 8.22 3.41 0.00 2.26 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 0.00 139 E 8.13 3.69 0.00 2.21 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 2.42 2.50 0.00 140 E 9.06 4.04 0.00 2.33 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 0.00 2.44 2.40 0.00 141 F 8.24 4.28 0.00 3.36 3.26 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 0.00 142 V 7.66 3.35 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 0.71 0.00 0.00 0.08 0.00 0.00 143 Q 7.25 4.13 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 144 M 8.17 4.02 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 145 M 7.48 4.32 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 146 T 7.37 4.68 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 1.17 0.00 0.00 147 A 7.36 4.54 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 *161 I 7.15 4.10 1.93 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 1.42 1.41 0.91 0.00 0.00 162 R 8.59 3.96 0.00 1.82 2.00 0.00 3.03 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 163 N 7.82 4.50 0.00 2.79 2.86 0.00 0.00 6.52 6.79 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 0.00 164 K 8.00 3.97 0.00 2.03 1.96 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.64 7.81 165 I 7.70 3.89 2.11 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 1.93 0.83 1.23 0.00 0.00 166 R 8.19 3.91 0.00 2.18 2.08 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 167 A 8.05 4.07 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 0.00 168 I 8.10 3.72 2.14 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 1.39 0.68 0.81 0.00 0.00 169 G 8.55 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 0.00 170 K 8.19 3.99 0.00 2.10 2.00 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.55 7.81 171 M 8.46 4.24 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.05 0.00 172 A 8.34 4.11 1.40 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 0.00 0.00 173 R 7.64 3.94 0.00 2.00 2.21 0.00 3.42 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 174 V 7.81 3.58 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 0.36 0.00 0.00 0.90 0.00 0.00 175 F 8.14 4.38 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.