NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3412 8.3149 120.1418 55.3385 33.7640 175.5298 2 P 4.3029 0.0000 0.0000 61.8356 32.1361 176.4020 3 G 3.7221 9.0733 109.3312 47.4920 0.0000 175.3300 4 A 4.1508 8.1393 122.0524 55.8062 18.2432 178.9997 5 M 3.9517 7.6544 114.9374 57.2891 32.0211 176.6832 6 Y 4.8929 8.3751 114.1416 57.0290 40.8515 177.0921 7 R 4.3176 7.9683 116.3844 57.7514 29.9262 176.2488 8 N 5.0195 7.3526 116.5660 52.7164 39.6298 175.1011 9 S 4.7707 8.2714 116.8872 58.6125 63.3646 175.4495 10 S 4.3817 8.0258 114.8175 59.2753 63.8107 174.2202 11 K 4.4973 7.6125 120.0664 54.0824 33.5391 174.4580 12 P 4.3927 0.0000 0.0000 62.4011 31.8500 176.4143 13 A 4.3011 8.4902 123.9541 52.6831 18.9249 177.5369 14 Y 4.9249 8.7852 123.5575 55.6842 38.9189 175.0084 15 T 4.5531 7.9882 109.5898 60.2602 70.6548 175.5984 16 R 4.2479 7.6974 122.2360 55.7375 28.8751 177.1376 17 R 3.9209 8.3048 123.1853 58.1246 30.3096 178.6337 18 E 4.0464 7.7843 114.5104 57.7597 29.8616 176.6302 19 Y 4.8577 7.8555 115.1302 57.3781 39.7174 175.1342 20 I 4.6254 7.4269 119.8435 59.3000 40.0575 174.8241 21 S 4.7215 8.3829 118.4067 57.2357 65.8941 173.1381 22 G 3.8286 8.6381 105.8339 46.6828 0.0000 173.7139 23 I 4.0196 7.7826 120.5652 59.4268 37.7862 174.6166 24 P 4.3427 0.0000 0.0000 62.3307 31.8018 176.6175 25 G 3.7955 8.3135 110.3112 45.0759 0.0000 173.1496 26 K 4.1818 8.2517 121.1310 55.8595 32.8467 177.1536 27 K 4.2446 8.7975 123.1428 57.0849 32.6262 177.0587 28 I 4.0096 7.6152 120.3839 61.1068 37.1107 175.7018 29 A 4.1612 10.1447 130.8479 54.8515 18.3711 177.0971 30 Q 4.8191 7.5334 110.8683 54.8704 33.3125 174.2721 31 F 4.5509 8.9486 115.3993 57.1795 42.4168 174.7564 32 D 5.5620 8.4462 118.0790 52.8061 42.8787 175.5156 33 M 4.8039 9.2717 122.6799 53.9313 36.3664 176.4123 34 G 3.2127 8.7932 106.7245 46.6641 0.0000 176.7025 35 N 4.6183 8.6933 114.2167 52.0664 36.9126 175.2516 36 N 4.6277 8.2199 117.1865 53.9026 38.3655 177.6117 37 G 3.6034 8.0568 108.0036 47.9980 0.0000 174.0408 38 A 4.4232 7.5612 121.9162 50.9825 19.9678 176.6105 39 G 4.0732 8.0711 108.3872 43.0054 0.0000 172.4128 40 P 4.3050 0.0000 0.0000 62.6962 29.3045 176.9890 41 T 4.6655 7.8776 114.9550 61.3427 69.5264 174.5548 42 Y 4.7676 7.8806 117.6249 56.6678 40.9974 174.9095 43 P 4.3911 0.0000 0.0000 65.4067 31.9590 176.6351 44 A 5.6397 8.1392 119.7593 49.9786 21.5990 176.0312 45 Q 4.6704 8.4544 121.2603 53.7033 31.4814 173.6031 46 V 4.8294 8.0873 126.0092 61.6871 34.1321 174.1858 47 E 4.8752 10.1651 124.9959 54.4665 34.3910 174.3972 48 L 4.3238 7.5934 125.0981 53.5818 43.5955 175.2600 49 V 4.6965 8.5964 128.1074 60.9010 32.8914 175.1656 50 V 3.8477 8.3602 129.1317 63.1384 32.3777 175.8519 51 E 4.6657 8.3463 126.0135 55.9428 30.1832 176.0544 52 K 4.4716 7.5459 117.4776 54.3855 36.1574 173.6090 53 P 5.0398 0.0000 0.0000 62.7308 31.9060 175.9681 54 V 4.5877 8.1659 116.0014 60.6518 36.6779 172.6746 55 Q 5.0364 8.9036 120.2031 54.4250 31.2822 175.2109 56 I 4.6551 8.7301 125.5309 59.2156 39.6055 175.8670 57 R 4.4641 8.5923 126.9174 56.0399 30.8182 177.7084 58 H 4.2076 8.8617 117.6501 58.5624 28.1436 177.6640 59 N 4.1153 7.9501 119.0694 56.3938 38.4913 176.8151 60 A 4.0080 7.8704 121.4446 54.9814 18.5377 179.2911 61 L 3.8363 7.9239 117.5053 58.0299 41.7690 179.3082 62 E 3.8412 8.1480 118.6670 59.3677 29.5929 178.7468 63 A 4.0336 8.0616 120.4946 54.9327 18.4409 179.4966 64 A 3.9533 8.5048 119.6898 55.3107 18.5137 179.6895 65 R 3.8175 8.6723 117.4281 59.6653 30.1431 178.4506 66 V 3.5689 8.2743 118.0156 66.3778 31.2933 177.6324 67 A 3.6732 7.9307 118.6823 55.0319 18.3298 179.1753 68 A 4.2757 7.7249 118.4714 55.0953 18.8878 179.2870 69 N 3.9598 8.5125 115.8838 56.7216 38.8598 177.0013 70 R 3.9165 8.5322 119.8688 59.4279 30.2608 177.3334 71 Y 4.2444 7.4426 119.4051 59.6251 38.7282 177.2431 72 V 3.3356 7.3268 117.0005 62.4861 31.7298 176.5293 73 Q 4.3789 7.5869 120.0442 56.0890 27.8049 175.3316 74 N 4.7011 7.3624 112.8511 53.0502 40.8660 174.0956 75 S 4.4936 7.7305 111.5163 58.2212 65.2429 175.0916 76 G 3.9767 8.2835 106.7679 44.8035 0.0000 174.0613 77 A 3.9350 8.5893 123.4277 54.5362 18.2922 178.6494 78 A 4.6419 7.6819 116.3805 51.4589 19.6117 176.1052 79 A 4.1759 7.9522 122.7104 54.1570 18.9141 178.9313 80 N 4.7508 8.3116 119.0208 52.0028 37.7902 173.2472 81 Y 4.8849 7.1144 119.8412 55.7504 41.3836 172.9629 82 K 5.0342 8.2994 119.2019 55.2116 36.1583 174.6263 83 F 5.9733 9.3699 126.2655 56.6963 42.1614 174.2021 84 R 5.1744 9.3450 124.5258 54.5726 34.0894 173.9666 85 I 4.3654 8.2575 124.9428 59.3590 38.0962 175.4488 86 R 4.4119 8.4313 126.1874 57.2072 29.9620 176.7928 87 K 4.7787 7.7657 119.0174 54.8501 34.2595 175.4278 88 F 4.6760 8.4351 119.6078 54.8133 41.8389 174.6727 89 P 4.6388 0.0000 0.0000 62.9914 29.1220 175.5358 90 F 4.5187 8.1769 125.3495 60.3667 40.0352 175.7107 91 H 4.5210 8.3361 121.7279 55.7956 30.4174 174.9270 92 V 4.3862 8.5692 127.7345 62.7006 32.1592 175.1626 93 I 4.6453 9.1086 121.4858 59.2755 40.2952 174.9286 94 R 5.2287 8.4345 122.6951 54.0234 33.6887 174.6997 95 E 4.5262 8.1853 119.3983 55.3780 33.2516 174.1951 96 N 4.9114 8.8824 126.7567 52.3255 37.7629 173.3791 97 K 4.5072 7.6680 123.4541 54.3561 31.9275 175.4269 *109 D 4.4819 7.8109 122.1376 54.8433 44.0718 171.8225 110 G 4.1927 8.9819 116.7151 46.4744 0.0000 173.2084 111 M 4.3504 9.2052 119.9109 54.9464 33.2815 175.9709 112 R 4.0206 7.8414 119.8048 56.9602 31.4285 175.9292 113 A 3.8230 8.5659 127.5492 52.8107 15.8965 175.2083 114 P 4.9282 0.0000 0.0000 62.3717 32.5457 176.5260 115 F 3.8695 8.3873 121.9410 58.8121 39.1991 174.7802 116 G 3.9376 8.0362 115.4180 46.0939 0.0000 171.7657 117 K 4.8500 8.3607 118.6327 54.0092 35.2772 174.2838 118 P 4.5632 0.0000 0.0000 63.8886 31.2460 176.3632 119 V 4.3394 8.8441 115.8651 60.4593 34.1284 175.4144 120 G 4.0382 7.0651 105.4783 46.4968 0.0000 171.8109 121 T 5.3744 7.6588 107.8643 60.2043 72.8395 172.5884 122 A 5.0753 8.9546 122.6097 50.8277 23.6992 174.6303 123 A 4.9927 9.2551 121.4395 50.2189 21.6924 176.0715 124 R 4.7460 8.7028 121.9057 55.3934 31.2768 176.1120 125 V 4.4587 8.8662 124.5161 61.3591 34.6790 174.2771 126 H 4.8152 8.9437 124.2777 53.7983 30.2975 174.8095 127 G 3.9151 8.5388 110.9168 47.8268 0.0000 173.4814 128 A 3.8875 9.9321 126.7997 51.6243 17.8387 177.8671 129 N 4.8325 8.0063 113.7941 52.7376 40.5200 173.7123 130 H 5.0938 8.2121 116.7402 54.3965 29.8777 174.5790 131 I 3.8565 8.4498 123.5059 62.1812 39.3294 175.1910 132 F 5.2732 7.5428 118.8940 55.6460 43.3825 174.4292 133 I 4.9506 8.8330 121.7126 60.1172 41.2109 174.0711 134 A 5.4458 9.5042 128.8508 49.9470 22.7284 175.0286 135 W 5.1953 8.9323 118.6594 54.9169 32.7038 175.1874 136 V 4.8874 8.8239 123.6652 60.0460 34.8430 174.7525 137 N 5.0520 8.9146 118.7891 51.5933 40.2303 172.6390 138 P 4.3536 0.0000 0.0000 62.6433 30.8877 176.2510 139 D 4.5680 7.5980 123.0146 52.8585 42.5266 176.9252 140 P 4.5139 0.0000 0.0000 63.0134 29.3031 176.8562 141 N 4.6464 7.7963 118.4592 53.9725 39.5932 176.8541 142 V 3.0731 7.2619 120.8358 64.5376 31.1579 178.0044 143 E 3.8738 7.7930 117.8306 58.9371 29.4049 178.2850 144 E 4.0031 7.8236 118.6506 58.6621 29.6486 178.1751 145 A 3.7890 7.6502 120.7208 54.4316 18.2699 179.2197 146 W 4.6688 7.8105 116.8867 59.0102 29.2411 178.7347 147 R 3.9350 7.5144 118.3635 59.3737 29.4200 178.3442 148 R 4.0730 7.8653 117.1345 58.3711 30.2366 178.6666 149 A 4.0568 7.7038 122.0460 55.1505 18.4907 179.2083 150 K 4.3185 8.0589 111.2888 58.0534 32.5969 177.5408 151 M 4.1709 7.6044 119.0206 57.5158 32.3648 176.8561 152 K 4.5893 7.9987 115.9860 55.7742 32.6365 175.9946 153 V 4.5303 7.4274 111.2432 59.4710 34.7457 175.5086 154 T 3.9478 8.7068 120.0936 66.5089 68.4457 173.1847 155 P 4.4753 0.0000 0.0000 62.7583 32.1933 175.7998 156 T 4.3560 8.1094 115.2873 63.6299 69.8170 173.8483 157 I 4.9646 8.1261 123.3455 59.7121 42.0532 173.8559 158 N 4.9139 8.9228 122.2962 51.9987 41.2732 173.3291 159 I 4.7335 8.4850 127.4034 60.3930 37.9573 174.3819 160 D 4.9973 9.3562 128.1226 52.3578 43.6309 174.6160 161 S 4.6504 8.3930 120.5659 58.4218 63.8910 171.2221 162 S 4.3839 9.2643 122.0626 58.7792 64.4787 173.5795 163 P 4.3677 0.0000 0.0000 64.0176 32.4222 175.5232 164 A 4.9736 8.0794 125.7633 52.3053 19.9029 175.4995 165 G 4.0801 8.3751 109.1321 45.3865 0.0000 172.4136 166 N 4.7079 7.9369 116.1286 51.7823 37.8895 175.1559 167 A 4.2787 7.6236 124.6524 52.3672 19.1126 177.5478 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.34 0.00 1.91 1.90 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.30 0.00 2.25 1.97 0.00 3.61 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 2.10 2.15 0.00 3 G 9.07 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.14 4.15 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 5 M 7.65 3.95 0.00 1.07 1.75 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 6 Y 8.38 4.89 0.00 2.97 2.88 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 7 R 7.97 4.32 0.00 2.00 2.22 0.00 3.12 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 8 N 7.35 5.02 0.00 2.83 2.77 0.00 0.00 6.92 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 9 S 8.27 4.77 0.00 3.82 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 10 S 8.03 4.38 0.00 3.97 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 11 K 7.61 4.50 0.00 1.83 1.80 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.46 7.81 12 P 0.00 4.39 0.00 2.11 2.05 0.00 3.70 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 2.06 2.12 0.00 13 A 8.49 4.30 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 14 Y 8.79 4.92 0.00 2.93 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 15 T 7.99 4.55 4.28 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 1.38 0.00 0.00 16 R 7.70 4.25 0.00 2.10 2.19 0.00 3.31 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 17 R 8.30 3.92 0.00 1.80 1.93 0.00 3.11 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 18 E 7.78 4.05 0.00 1.45 1.75 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 1.51 1.47 0.00 19 Y 7.86 4.86 0.00 2.92 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 I 7.43 4.63 1.74 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.86 0.00 0.00 21 S 8.38 4.72 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.64 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.78 4.02 1.86 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 1.39 0.57 0.88 0.00 0.00 24 P 0.00 4.34 0.00 2.00 1.99 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 25 G 8.31 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 26 K 8.25 4.18 0.00 1.73 1.76 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.59 1.52 7.81 27 K 8.80 4.24 0.00 1.74 1.82 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.49 7.81 28 I 7.62 4.01 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.21 0.00 0.00 29 A 10.14 4.16 1.24 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 0.00 0.00 0.00 30 Q 7.53 4.82 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 31 F 8.95 4.55 0.00 3.06 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 32 D 8.45 5.56 0.00 2.65 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 33 M 9.27 4.80 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 34 G 8.79 3.21 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 0.00 0.00 0.00 35 N 8.69 4.62 0.00 2.75 2.79 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.22 4.63 0.00 2.85 2.99 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.06 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 38 A 7.56 4.42 1.27 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 0.00 0.00 39 G 8.07 4.07 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 0.00 0.00 0.00 40 P 0.00 4.31 0.00 1.63 0.76 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.00 41 T 7.88 4.67 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 1.17 0.00 0.00 42 Y 7.88 4.77 0.00 3.16 3.27 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 P 0.00 4.39 0.00 2.13 2.17 0.00 4.03 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 2.08 2.12 0.00 44 A 8.14 5.64 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 45 Q 8.45 4.67 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.02 1.31 0.00 46 V 8.09 4.83 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 1.37 0.00 0.00 0.89 0.00 0.00 47 E 10.17 4.88 0.00 1.59 1.67 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 2.05 2.31 0.00 48 L 7.59 4.32 0.00 0.27 1.01 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.60 4.70 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 0.90 0.00 0.00 50 V 8.36 3.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.86 0.00 0.00 51 E 8.35 4.67 0.00 1.95 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 2.25 2.36 0.00 52 K 7.55 4.47 0.00 1.68 1.64 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.43 7.81 53 P 0.00 5.04 0.00 1.84 1.69 0.00 3.70 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 54 V 8.17 4.59 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 0.76 0.00 0.00 0.95 0.00 0.00 55 Q 8.90 5.04 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 56 I 8.73 4.66 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.87 0.00 0.00 57 R 8.59 4.46 0.00 1.85 1.82 0.00 2.90 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 58 H 8.86 4.21 0.00 3.34 3.50 0.00 5.27 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.95 4.12 0.00 2.73 2.83 0.00 0.00 7.04 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 60 A 7.87 4.01 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 61 L 7.92 3.84 0.00 1.77 1.58 0.75 0.56 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 62 E 8.15 3.84 0.00 2.12 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 2.37 0.00 63 A 8.06 4.03 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 64 A 8.50 3.95 1.63 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 65 R 8.67 3.82 0.00 2.17 2.10 0.00 3.19 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 66 V 8.27 3.57 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 0.97 0.00 0.00 1.02 0.00 0.00 67 A 7.93 3.67 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.28 1.51 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 69 N 8.51 3.96 0.00 2.99 2.90 0.00 0.00 6.94 7.19 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 70 R 8.53 3.92 0.00 1.89 2.03 0.00 3.33 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.44 4.24 0.00 3.06 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 72 V 7.33 3.34 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 0.34 0.00 0.00 -0.21 0.00 0.00 73 Q 7.59 4.38 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.36 4.70 0.00 1.96 2.34 0.00 0.00 7.10 7.63 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 75 S 7.73 4.49 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.28 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 77 A 8.59 3.94 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 78 A 7.68 4.64 1.24 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 0.00 0.00 0.00 79 A 7.95 4.18 1.56 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 80 N 8.31 4.75 0.00 2.76 2.89 0.00 0.00 6.84 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 81 Y 7.11 4.88 0.00 3.14 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 82 K 8.30 5.03 0.00 1.92 1.93 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 1.58 7.81 83 F 9.37 5.97 0.00 3.35 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.34 5.17 0.00 1.99 1.97 0.00 3.39 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 85 I 8.26 4.37 1.66 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.55 0.00 0.00 86 R 8.43 4.41 0.00 1.97 2.14 0.00 3.17 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 87 K 7.77 4.78 0.00 1.63 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.31 7.81 88 F 8.44 4.68 0.00 2.14 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 0.00 0.00 0.00 0.00 89 P 0.00 4.64 0.00 2.12 2.06 0.00 3.73 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 1.91 1.97 0.00 90 F 8.18 4.52 0.00 3.16 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 91 H 8.34 4.52 0.00 3.40 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.57 4.39 2.12 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 0.89 0.00 0.00 0.85 0.00 0.00 93 I 9.11 4.65 1.60 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.95 0.00 0.00 94 R 8.43 5.23 0.00 1.52 1.86 0.00 2.50 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 95 E 8.19 4.53 0.00 2.18 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 2.38 2.34 0.00 96 N 8.88 4.91 0.00 2.92 2.67 0.00 0.00 6.85 6.00 0.00 0.00 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 K 7.67 4.51 0.00 1.90 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 *109 D 7.81 4.48 0.00 2.70 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 0.00 110 G 8.98 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 0.00 0.00 0.00 0.00 111 M 9.21 4.35 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 112 R 7.84 4.02 0.00 1.78 1.83 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 113 A 8.57 3.82 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 0.00 114 P 0.00 4.93 0.00 2.20 2.29 0.00 3.45 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 115 F 8.39 3.87 0.00 2.97 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 0.00 116 G 8.04 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 0.00 117 K 8.36 4.85 0.00 1.90 1.95 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.41 7.81 118 P 0.00 4.56 0.00 2.12 2.10 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 119 V 8.84 4.34 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 0.79 0.00 0.00 0.88 0.00 0.00 120 G 7.07 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 0.00 121 T 7.66 5.37 4.37 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 1.15 0.00 0.00 122 A 8.95 5.08 1.24 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 0.00 0.00 0.00 123 A 9.26 4.99 1.21 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 0.00 0.00 124 R 8.70 4.75 0.00 1.77 1.91 0.00 3.12 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 125 V 8.87 4.46 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 1.00 0.00 0.00 0.88 0.00 0.00 126 H 8.94 4.82 0.00 3.28 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.54 3.92 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 0.00 0.00 0.00 128 A 9.93 3.89 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 0.00 129 N 8.01 4.83 0.00 2.71 2.66 0.00 0.00 6.58 7.96 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 0.00 130 H 8.21 5.09 0.00 3.15 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.45 3.86 1.63 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.96 0.68 0.00 0.00 132 F 7.54 5.27 0.00 2.26 2.34 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 0.00 133 I 8.83 4.95 1.59 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 -0.23 0.00 0.00 134 A 9.50 5.45 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 0.00 135 W 8.93 5.20 0.00 3.04 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 0.00 136 V 8.82 4.89 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 0.76 0.00 0.00 0.94 0.00 0.00 137 N 8.91 5.05 0.00 2.71 2.85 0.00 0.00 6.94 8.02 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 0.00 138 P 0.00 4.35 0.00 2.05 2.08 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 139 D 7.60 4.57 0.00 2.55 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 0.00 140 P 0.00 4.51 0.00 2.03 1.93 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 141 N 7.80 4.65 0.00 2.53 2.69 0.00 0.00 6.74 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 0.00 142 V 7.26 3.07 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 0.47 0.00 0.00 -0.37 0.00 0.00 143 E 7.79 3.87 0.00 1.86 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 2.34 2.37 0.00 144 E 7.82 4.00 0.00 2.01 2.12 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 2.11 1.79 0.00 145 A 7.65 3.79 1.08 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 0.00 0.00 146 W 7.81 4.67 0.00 3.47 3.14 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 0.00 147 R 7.51 3.93 0.00 1.74 1.98 0.00 3.21 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 7.87 4.07 0.00 1.95 1.87 0.00 2.80 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 149 A 7.70 4.06 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 0.00 150 K 8.06 4.32 0.00 1.88 1.94 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.60 4.17 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 152 K 8.00 4.59 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.43 4.53 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 0.77 0.00 0.00 0.94 0.00 0.00 154 T 8.71 3.95 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 0.00 155 P 0.00 4.48 0.00 2.15 2.04 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 156 T 8.11 4.36 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 1.25 0.00 0.00 157 I 8.13 4.96 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.86 0.00 0.00 158 N 8.92 4.91 0.00 2.88 2.62 0.00 0.00 7.53 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.48 4.73 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 1.14 0.00 0.00 160 D 9.36 5.00 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 0.00 161 S 8.39 4.65 0.00 3.92 3.75 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 0.00 162 S 9.26 4.38 0.00 3.93 3.66 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 0.00 163 P 0.00 4.37 0.00 2.32 2.13 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 164 A 8.08 4.97 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 0.00 165 G 8.38 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 0.00 0.00 0.00 166 N 7.94 4.71 0.00 2.74 2.82 0.00 0.00 7.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.62 4.28 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.