NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2467 8.1185 123.5676 52.3802 21.2705 178.7651 3 A 3.8671 7.5845 116.9611 54.2191 18.9949 177.6829 4 N 4.4592 8.7167 112.2390 54.8410 39.6847 174.0945 5 K 4.5085 7.3901 116.3240 55.8738 32.7979 176.2936 6 E 4.2070 7.8981 121.0765 56.7406 30.6803 175.6836 7 R 5.2441 8.4224 122.2909 54.8716 34.4876 174.1666 8 T 4.7762 8.6252 114.8165 60.4857 71.9638 171.9705 9 F 5.3430 8.7579 127.1567 56.6757 41.3757 174.3187 10 I 4.5347 8.1111 126.8343 59.4819 40.4109 174.3120 11 M 4.6873 7.8547 125.0733 53.5128 35.7239 173.8660 12 V 4.2437 8.5252 126.8880 62.4189 33.0819 176.0424 13 K 4.5245 8.8705 128.0771 55.1457 33.4385 176.3236 14 P 4.3611 0.0000 0.0000 65.2967 30.9943 178.7202 15 D 4.5045 7.9729 117.5616 56.1894 39.2443 178.9358 16 G 3.5561 8.0020 107.0625 47.4266 0.0000 176.0907 17 V 3.5665 7.6374 120.0733 66.0104 31.5271 177.9841 18 Q 4.0591 8.0499 116.5907 58.7409 28.5939 178.1593 19 R 4.3935 7.9533 116.3502 55.0815 30.5568 176.3947 20 G 3.8113 7.7491 106.4108 47.3500 0.0000 175.2279 21 L 4.2931 7.8712 117.4566 53.9170 42.1670 177.8222 22 V 3.6553 7.6173 120.0025 66.2866 31.4197 178.0972 23 G 3.6307 7.9603 104.7078 47.5847 0.0000 175.5853 24 K 3.9861 7.8929 120.2727 59.3641 31.6164 179.3204 25 I 3.8323 7.8479 120.0124 64.5816 37.0670 178.6434 26 I 4.0973 7.9243 120.7073 64.2820 36.8540 177.9983 27 E 4.0168 8.5292 120.4344 59.4696 29.5223 179.0163 28 R 3.8093 7.8838 117.5032 59.4519 29.7914 179.1220 29 F 3.7404 7.7078 116.4253 60.0690 38.6965 177.7724 30 E 4.2649 8.3927 118.5492 59.5966 29.1990 179.4685 31 Q 4.0746 8.0669 116.0394 58.8954 28.5767 178.1019 32 K 3.9557 7.3239 120.4745 57.8212 32.3017 177.3068 33 G 3.9300 7.5900 104.3456 44.8157 0.0000 173.9228 34 F 4.8246 7.5088 118.4490 57.4137 40.0287 174.7380 35 K 4.7324 9.2616 123.8493 55.1002 33.7173 175.3147 36 L 3.2902 8.9290 130.1128 54.9287 42.1387 176.1426 37 V 4.4014 8.5818 125.8480 63.8259 34.3105 174.9991 38 A 4.6944 7.1111 119.5292 50.7160 22.4292 174.9695 39 L 5.0848 8.1876 120.0120 54.2781 45.0631 174.0070 40 K 4.6720 8.6861 123.5438 56.2627 36.5321 173.6537 41 F 5.3464 8.7837 123.0443 56.9014 41.5498 173.9347 42 T 4.4708 8.4961 119.2267 60.8522 71.6322 171.6205 43 W 4.7461 8.5286 134.5904 55.3398 31.9528 175.2355 44 A 4.3018 8.6183 131.2101 51.5690 19.0035 177.6872 45 S 4.4714 8.3696 117.7657 57.9119 65.4306 175.7751 46 K 3.9992 8.4764 122.2395 59.3783 31.6411 179.0237 47 E 3.8830 8.1901 119.2514 59.3833 29.5196 178.5685 48 L 3.7420 7.8559 119.9811 58.1747 42.0258 178.9552 49 L 4.1197 8.0421 118.8928 57.8526 41.3254 179.3239 50 E 4.3620 8.6212 118.0285 58.9268 29.5322 179.0076 51 K 4.2058 7.7319 118.9069 59.3068 32.0289 178.7168 52 H 4.1840 8.1772 117.8058 58.6526 29.9024 176.0491 53 Y 4.9536 8.2083 116.8954 57.9433 38.5016 177.1830 54 A 4.1340 7.6964 127.0952 54.9056 18.1008 180.4217 55 D 4.3445 8.2009 115.3313 56.9133 41.2867 177.0763 56 L 4.4577 8.3601 117.9389 54.3456 42.4254 178.2081 57 S 2.0000 7.3947 116.8368 60.9614 62.7620 176.3790 58 A 4.1904 7.4187 120.2005 53.1864 19.3281 177.8296 59 R 3.8929 7.7432 116.5637 55.1518 30.4520 176.2830 60 P 4.3006 0.0000 0.0000 65.2507 31.7628 177.3860 61 F 4.5273 7.5210 113.0224 57.8654 38.9211 177.0409 62 F 4.0454 7.4435 124.2793 61.2839 38.9716 175.3433 63 P 4.2208 0.0000 0.0000 65.8536 31.0520 178.4925 64 G 3.6161 8.0627 105.0176 47.3506 0.0000 175.3094 65 L 3.9683 8.0848 122.7427 57.9595 42.0397 179.3066 66 V 3.5462 7.4549 118.1661 66.0878 31.2146 177.7583 67 N 4.3948 7.9186 115.2376 56.3091 38.5388 176.5979 68 Y 4.2162 8.0052 120.8355 61.0343 38.8325 177.7331 69 M 3.8706 8.1307 117.5413 57.0749 32.1037 177.0429 70 N 4.8674 7.4805 115.6014 53.5396 39.4959 175.5412 71 S 4.7882 7.8184 113.8960 58.9525 63.8366 173.5167 72 G 3.1932 6.1311 109.1567 43.5964 0.0000 171.0885 73 P 3.9380 0.0000 0.0000 62.2202 32.8319 175.7708 74 V 4.4029 8.6220 113.8557 59.9261 36.6576 175.1670 75 V 5.1506 8.7677 122.2686 59.5300 32.3391 172.1472 76 P 4.5475 0.0000 0.0000 62.3189 33.1561 175.1196 77 M 5.1060 8.5557 118.6626 54.3237 35.4743 173.3655 78 V 4.8051 8.1897 118.9207 60.8885 34.7983 174.2463 79 W 5.1575 8.7038 126.4101 54.7873 32.8037 174.0572 80 E 5.1622 10.1197 123.9562 53.6955 32.6659 175.2191 81 G 4.7852 8.6269 114.3483 45.8977 0.0000 171.5510 82 L 4.6404 9.1026 122.4415 55.8852 42.2261 176.2408 83 N 4.4582 9.2170 122.8089 54.0524 36.5962 176.6942 84 V 3.1915 7.6878 120.5632 64.8093 31.0353 177.8134 85 V 3.4995 8.2296 118.7311 65.7103 31.5754 177.9846 86 K 3.9403 7.9477 118.7440 60.0208 32.2430 178.8466 87 T 4.1184 8.4108 116.4239 66.2660 68.4105 177.0206 88 G 3.7295 8.4894 108.3346 47.9291 0.0000 175.9240 89 R 3.9751 8.0008 120.8298 58.9187 29.8739 178.8333 90 Q 3.9711 7.7530 117.7830 59.6892 29.2625 178.1702 91 M 4.1272 8.1889 119.5208 58.2579 31.8371 178.8150 92 L 4.0300 7.8180 119.2596 56.0234 41.8257 177.6616 93 G 4.1764 8.0488 103.3905 43.9307 0.0000 172.5800 94 A 4.1951 8.0164 120.6760 52.1066 19.0122 177.8516 95 T 3.9072 8.6573 117.5794 66.5691 68.7572 174.5031 96 N 4.5919 7.9929 121.6190 51.8520 39.1381 173.2480 97 P 4.4566 0.0000 0.0000 64.9059 31.6152 178.6412 98 A 3.9656 8.0528 119.8257 54.6606 18.3023 177.8199 99 D 4.6459 7.9339 113.9354 54.8608 41.7835 177.0723 100 S 4.3144 7.9913 117.6762 58.0535 63.6929 173.8223 101 L 4.4829 8.2148 124.6111 53.1058 42.5607 174.6433 102 P 4.3478 0.0000 0.0000 64.1569 31.7290 176.2960 103 G 3.9866 9.2772 111.3120 45.8778 0.0000 174.8309 104 T 4.3904 7.5529 110.2856 60.4565 71.5460 176.0285 105 I 3.7167 8.3045 122.6639 64.8078 37.0228 179.2160 106 R 4.1548 8.3261 119.1173 58.9506 29.6431 179.3306 107 G 3.5441 7.8788 105.0379 47.8586 0.0000 175.1474 108 D 4.2785 7.7285 120.1428 55.6005 40.9744 177.2664 109 F 5.1090 7.7317 114.9953 57.3151 40.2870 174.1281 110 C 4.8585 7.8632 114.3125 57.3364 32.8253 173.0132 111 I 4.3058 8.3692 116.8431 62.6030 39.1692 175.8736 112 Q 4.6091 7.6266 120.6124 53.7871 30.7190 176.4085 113 V 3.6073 8.4171 123.4821 64.7891 31.3859 177.5229 114 G 3.6000 7.8599 106.7152 46.7499 0.0000 173.3832 115 R 4.6470 7.6588 118.1162 54.8983 30.6551 174.7299 116 N 4.8574 7.8781 110.8512 53.0257 38.6322 176.2334 117 I 3.0027 8.4770 110.3940 63.8063 38.8845 172.5359 118 I 4.8994 7.5013 119.2973 60.4039 40.7164 173.3955 *120 G 3.7990 8.5809 106.9117 46.0541 0.0000 173.3392 121 S 4.5841 8.5928 120.4891 59.1426 63.1248 174.6527 122 D 4.5441 8.9486 121.5945 54.5786 40.1885 176.1318 123 A 4.5323 7.5432 120.4646 49.9050 23.7649 177.0851 124 V 3.5443 8.2764 120.2245 66.2365 31.4984 177.9418 125 E 3.9853 8.2077 117.9241 59.7194 29.3921 179.5493 126 S 4.2131 8.0974 113.2380 61.1227 63.1410 176.0736 127 A 4.0805 8.3832 124.9453 55.1211 17.9960 179.4045 128 E 3.9255 8.3705 117.1509 59.3799 29.6523 179.5674 129 K 3.9586 7.9166 119.2812 59.5347 32.2484 178.7831 130 E 3.9596 8.5730 119.2856 59.4464 29.2783 179.3077 131 I 3.8330 7.9981 119.7338 64.5467 36.9772 178.4084 132 A 4.0433 7.6504 120.4832 54.9064 18.2037 179.5058 133 L 3.9356 7.5210 116.7024 57.7228 41.8285 179.2140 134 W 4.1260 8.1472 117.1853 57.1546 29.4446 176.4500 135 F 5.1773 7.9050 115.6338 55.6724 42.4271 173.9666 136 N 4.9740 9.5169 120.0957 51.6714 40.3497 176.3868 137 E 4.0195 8.8270 119.3352 59.7796 29.6539 180.1214 138 K 4.0782 8.0207 116.4128 59.0787 32.2264 177.7080 139 E 4.2141 8.1234 116.7633 57.4037 29.8230 176.2737 140 L 4.3874 7.4820 119.9429 53.7406 42.2767 176.4443 141 V 4.1405 8.6502 125.6477 61.9966 32.6421 174.8829 142 T 4.8193 8.5469 122.7943 60.1616 68.8238 173.1354 143 W 5.1434 8.4874 124.2908 55.9034 31.1077 173.5666 144 T 4.2450 8.3383 114.6575 60.7342 70.3872 172.6783 145 P 4.4069 0.0000 0.0000 62.1428 31.9588 177.5919 146 A 4.0527 8.8853 125.1979 54.9073 18.6319 178.0169 147 A 4.6793 8.0511 116.9393 52.1518 19.5872 178.4699 148 K 3.9104 8.1374 119.6655 60.2645 31.9577 177.9102 149 D 4.4377 7.9685 114.9296 55.2845 40.9179 177.1819 150 W 4.6639 8.0493 118.7495 56.6099 29.9449 176.2481 151 I 4.1262 7.4742 118.8728 61.6158 38.4151 175.3963 152 Y 4.9049 7.4465 115.9404 55.7281 40.8660 175.4682 153 E 4.1276 8.8597 120.9399 56.8273 29.5798 176.9637 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 A 8.12 4.25 1.25 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 0.00 0.00 3 A 7.58 3.87 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 4 N 8.72 4.46 0.00 2.40 2.22 0.00 0.00 6.84 7.61 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 5 K 7.39 4.51 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.35 7.81 6 E 7.90 4.21 0.00 2.07 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 2.37 0.00 7 R 8.42 5.24 0.00 1.69 1.78 0.00 3.20 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 8 T 8.63 4.78 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 1.16 0.00 0.00 9 F 8.76 5.34 0.00 3.20 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 10 I 8.11 4.53 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.16 0.70 0.00 0.00 11 M 7.85 4.69 0.00 1.60 0.76 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 12 V 8.53 4.24 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 0.87 0.00 0.00 0.93 0.00 0.00 13 K 8.87 4.52 0.00 1.90 1.85 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.44 7.81 14 P 0.00 4.36 0.00 1.76 1.75 0.00 3.73 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 1.68 1.79 0.00 15 D 7.97 4.50 0.00 3.01 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 16 G 8.00 3.56 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 0.00 0.00 0.00 17 V 7.64 3.57 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 1.20 0.00 0.00 1.06 0.00 0.00 18 Q 8.05 4.06 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 19 R 7.95 4.39 0.00 1.84 1.92 0.00 3.31 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 20 G 7.75 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 0.00 0.00 0.00 21 L 7.87 4.29 0.00 1.65 1.39 0.79 0.37 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 22 V 7.62 3.66 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 1.01 0.00 0.00 0.88 0.00 0.00 23 G 7.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 3.99 0.00 1.72 1.79 0.00 1.32 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.41 7.81 25 I 7.85 3.83 2.13 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 1.63 1.10 1.06 0.00 0.00 26 I 7.92 4.10 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.11 1.29 0.00 0.00 27 E 8.53 4.02 0.00 2.39 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 0.00 2.35 2.40 0.00 28 R 7.88 3.81 0.00 1.87 1.65 0.00 3.25 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 29 F 7.71 3.74 0.00 1.93 1.45 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 30 E 8.39 4.26 0.00 2.30 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 2.72 2.92 0.00 31 Q 8.07 4.07 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 32 K 7.32 3.96 0.00 1.81 1.94 0.00 1.43 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 0.87 7.81 33 G 7.59 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 34 F 7.51 4.82 0.00 3.25 3.31 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 35 K 9.26 4.73 0.00 1.88 1.75 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 0.64 7.81 36 L 8.93 3.29 0.00 1.00 1.45 -0.16 0.71 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 37 V 8.58 4.40 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 0.83 0.00 0.00 0.96 0.00 0.00 38 A 7.11 4.69 0.31 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 39 L 8.19 5.08 0.00 1.47 1.42 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.69 4.67 0.00 1.90 2.05 0.00 1.34 0.00 0.00 1.78 0.00 0.00 2.28 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.43 7.81 41 F 8.78 5.35 0.00 2.85 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 42 T 8.50 4.47 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 1.31 0.00 0.00 43 W 8.53 4.75 0.00 3.45 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 44 A 8.62 4.30 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 45 S 8.37 4.47 0.00 4.03 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 46 K 8.48 4.00 0.00 1.83 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.52 7.81 47 E 8.19 3.88 0.00 2.00 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 2.33 2.36 0.00 48 L 7.86 3.74 0.00 1.51 1.54 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.04 4.12 0.00 1.95 1.95 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.62 4.36 0.00 2.14 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 2.54 2.60 0.00 51 K 7.73 4.21 0.00 1.83 1.79 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.58 7.81 52 H 8.18 4.18 0.00 3.12 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.21 4.95 0.00 3.50 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 54 A 7.70 4.13 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 55 D 8.20 4.34 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 56 L 8.36 4.46 0.00 2.07 1.77 1.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.39 2.00 0.00 3.57 3.48 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 58 A 7.42 4.19 1.16 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 0.00 0.00 59 R 7.74 3.89 0.00 0.90 0.66 0.00 3.32 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 60 P 0.00 4.30 0.00 2.21 2.18 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 61 F 7.52 4.53 0.00 3.24 3.38 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 62 F 7.44 4.05 0.00 3.13 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 63 P 0.00 4.22 0.00 2.33 2.36 0.00 3.90 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 64 G 8.06 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.08 3.97 0.00 1.82 1.81 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.45 3.55 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 0.95 0.00 0.00 0.30 0.00 0.00 67 N 7.92 4.39 0.00 2.94 2.92 0.00 0.00 7.03 7.61 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 68 Y 8.01 4.22 0.00 3.15 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 69 M 8.13 3.87 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.99 0.00 70 N 7.48 4.87 0.00 2.81 3.09 0.00 0.00 7.16 8.96 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 71 S 7.82 4.79 0.00 4.09 4.12 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 72 G 6.13 3.19 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 0.00 0.00 0.00 0.00 73 P 0.00 3.94 0.00 1.62 1.17 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.76 0.00 74 V 8.62 4.40 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 0.56 0.00 0.00 1.02 0.00 0.00 75 V 8.77 5.15 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 1.34 0.00 0.00 1.10 0.00 0.00 76 P 0.00 4.55 0.00 2.26 1.82 0.00 4.08 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 2.10 2.10 0.00 77 M 8.56 5.11 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 78 V 8.19 4.81 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 0.93 0.00 0.00 0.70 0.00 0.00 79 W 8.70 5.16 0.00 3.05 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 80 E 10.12 5.16 0.00 2.00 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 2.25 2.57 0.00 81 G 8.63 4.79 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 82 L 9.10 4.64 0.00 1.74 2.01 0.96 1.06 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 83 N 9.22 4.46 0.00 3.13 2.96 0.00 0.00 6.85 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 84 V 7.69 3.19 1.92 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 0.92 0.00 0.00 -0.07 0.00 0.00 85 V 8.23 3.50 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 1.06 0.00 0.00 1.01 0.00 0.00 86 K 7.95 3.94 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.56 7.81 87 T 8.41 4.12 4.48 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 1.44 0.00 0.00 88 G 8.49 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.00 3.98 0.00 2.11 2.02 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 90 Q 7.75 3.97 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 91 M 8.19 4.13 0.00 1.80 2.05 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.42 0.00 92 L 7.82 4.03 0.00 1.89 1.75 0.97 0.96 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 93 G 8.05 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 0.00 0.00 0.00 0.00 94 A 8.02 4.20 1.25 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 0.00 0.00 95 T 8.66 3.91 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 96 N 7.99 4.59 0.00 2.70 2.69 0.00 0.00 7.13 7.71 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 97 P 0.00 4.46 0.00 2.35 2.21 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 98 A 8.05 3.97 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 99 D 7.93 4.65 0.00 2.79 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 0.00 100 S 7.99 4.31 0.00 4.02 3.80 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 0.00 101 L 8.21 4.48 0.00 1.67 1.54 0.90 1.08 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 0.00 102 P 0.00 4.35 0.00 1.98 1.92 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 103 G 9.28 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 0.00 0.00 0.00 104 T 7.55 4.39 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 1.23 0.00 0.00 105 I 8.30 3.72 1.93 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 1.64 0.54 1.10 0.00 0.00 106 R 8.33 4.15 0.00 1.94 1.98 0.00 3.36 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 107 G 7.88 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 0.00 108 D 7.73 4.28 0.00 1.60 1.69 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 0.00 109 F 7.73 5.11 0.00 3.17 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 0.00 110 C 7.86 4.86 0.00 3.13 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 0.00 111 I 8.37 4.31 1.87 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 1.30 0.69 0.90 0.00 0.00 112 Q 7.63 4.61 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 113 V 8.42 3.61 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 0.68 0.00 0.00 0.88 0.00 0.00 114 G 7.86 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.66 4.65 0.00 1.71 1.81 0.00 3.30 0.00 0.00 2.87 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 116 N 7.88 4.86 0.00 2.87 3.10 0.00 0.00 6.10 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 0.00 117 I 8.48 3.00 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 1.02 0.00 0.00 118 I 7.50 4.90 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 1.11 1.96 1.02 0.00 0.00 *120 G 8.58 3.80 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 0.00 0.00 0.00 121 S 8.59 4.58 0.00 3.87 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 0.00 122 D 8.95 4.54 0.00 2.80 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 0.00 123 A 7.54 4.53 1.28 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 0.00 124 V 8.28 3.54 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 1.13 0.00 0.00 0.95 0.00 0.00 125 E 8.21 3.99 0.00 2.11 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 0.00 2.42 2.45 0.00 126 S 8.10 4.21 0.00 4.08 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 0.00 127 A 8.38 4.08 1.48 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 0.00 0.00 128 E 8.37 3.93 0.00 2.24 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 2.35 2.55 0.00 129 K 7.92 3.96 0.00 1.81 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 130 E 8.57 3.96 0.00 2.15 1.43 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 2.35 2.48 0.00 131 I 8.00 3.83 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.93 1.00 0.00 0.00 132 A 7.65 4.04 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 0.00 133 L 7.52 3.94 0.00 1.84 1.34 0.90 0.58 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 0.00 134 W 8.15 4.13 0.00 2.97 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 0.00 135 F 7.91 5.18 0.00 3.18 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 0.00 136 N 9.52 4.97 0.00 2.80 2.77 0.00 0.00 7.32 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 0.00 137 E 8.83 4.02 0.00 2.02 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 2.43 2.31 0.00 138 K 8.02 4.08 0.00 1.78 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 139 E 8.12 4.21 0.00 2.32 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 2.45 2.41 0.00 140 L 7.48 4.39 0.00 1.46 1.56 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.65 4.14 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 0.69 0.00 0.00 0.88 0.00 0.00 142 T 8.55 4.82 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 1.25 0.00 0.00 143 W 8.49 5.14 0.00 3.61 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 0.00 144 T 8.34 4.24 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 1.17 0.00 0.00 145 P 0.00 4.41 0.00 2.08 1.90 0.00 3.33 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.89 0.00 146 A 8.89 4.05 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 0.00 147 A 8.05 4.68 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 0.00 148 K 8.14 3.91 0.00 2.01 1.86 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.61 7.81 149 D 7.97 4.44 0.00 2.27 2.21 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 0.00 150 W 8.05 4.66 0.00 3.38 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 0.00 151 I 7.47 4.13 1.57 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.16 0.00 0.00 152 Y 7.45 4.90 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.86 4.13 0.00 1.98 1.86 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 2.32 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.