NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8346 8.3544 109.7372 45.3899 0.0000 172.8959 2 L 4.2316 8.3326 128.7334 51.9458 42.8401 170.4896 3 V 3.9790 9.0601 128.0455 61.1413 33.3308 173.4025 4 P 4.3617 0.0000 0.0000 62.6876 31.9253 177.3039 5 R 3.9076 8.8277 122.6494 59.6072 30.3303 177.7870 6 G 4.0613 8.1367 103.1642 46.5428 0.0000 175.3508 7 S 4.1650 8.3697 117.8434 61.5936 62.8038 176.5828 8 L 4.0134 7.9083 121.1343 57.6090 41.4004 179.2235 9 L 4.0194 7.9328 118.4035 57.9582 41.6050 179.4372 10 L 3.8960 8.0022 118.6658 57.9073 41.5247 179.8396 11 R 3.9137 8.3173 118.2723 59.2690 29.9897 179.4060 12 R 3.9429 8.1411 117.7665 59.3249 30.0356 178.9881 13 Q 4.0819 8.3232 117.9514 58.9788 28.6929 178.7499 14 L 3.9679 8.4045 121.1507 58.1947 42.0918 178.9258 15 A 3.9533 8.1353 120.5691 55.1724 18.3954 179.3456 16 E 3.9300 8.7779 117.4180 59.6299 29.3464 179.5821 17 L 4.0490 8.1202 117.9800 58.1093 41.8258 179.2159 18 N 4.4493 8.2869 115.2072 55.7241 38.5191 176.8796 19 K 4.3388 7.9257 118.0176 56.5933 33.9203 176.6143 20 N 5.0507 7.5664 115.6722 50.5794 38.7160 172.4942 21 P 4.2616 0.0000 0.0000 62.6425 32.4633 176.7675 22 V 4.2706 7.5144 119.1074 60.4331 33.9369 174.4957 23 E 4.0368 8.4715 126.8975 57.6490 30.0131 177.1345 24 G 4.1632 10.7525 114.6425 45.0597 0.0000 172.2435 25 F 6.0719 6.9026 112.1060 56.9369 41.0463 173.8616 26 S 4.9082 8.9738 115.3434 56.7630 66.7669 172.7290 27 A 5.3626 8.5982 123.9413 50.6139 22.0999 175.2508 28 G 3.7998 8.7280 107.1683 45.3505 0.0000 172.3884 29 L 4.4630 7.8890 119.8745 54.0404 42.3486 177.9403 30 I 3.8311 8.2438 123.9766 63.7893 37.4204 176.4731 31 D 4.6449 7.6943 119.3584 52.2975 43.5596 175.4293 32 D 4.3848 8.8846 126.7840 57.2175 40.9661 177.4876 33 N 4.4307 8.0605 114.8529 54.7697 38.9073 174.5327 34 D 4.6841 8.3542 117.9345 52.3288 42.6000 175.5724 35 L 4.1750 8.7283 126.6191 56.6826 42.1951 177.5629 36 Y 4.3468 8.9565 116.3199 58.4057 39.5819 175.1715 37 R 4.9579 8.1365 118.3176 54.3509 32.4044 174.7842 38 W 5.4123 9.5253 124.7581 54.8678 32.4088 175.1194 39 E 5.3053 9.5108 119.5704 54.6626 32.6183 174.8686 40 V 5.0030 8.8066 121.1185 61.2905 34.9695 173.9221 41 L 5.2258 9.5997 128.3018 53.3781 43.9794 175.4869 42 I 5.1526 9.2095 124.1794 59.6164 40.7631 174.6043 43 I 4.4766 8.9076 128.8414 60.2735 37.9823 176.2443 44 G 4.0559 9.1548 115.5039 45.9616 0.0000 171.9054 45 P 4.6454 0.0000 0.0000 61.4171 32.0354 174.6683 46 P 4.3728 0.0000 0.0000 63.8768 31.6815 175.2365 47 D 4.7987 8.5948 116.3671 55.5745 40.4488 173.0883 48 T 4.7573 7.1259 104.7018 58.6664 72.0468 174.1982 49 L 3.6140 8.1238 123.1839 57.8589 42.0142 177.1439 50 Y 4.7498 7.7625 113.8332 57.3030 38.8360 175.2004 51 E 4.3242 7.8218 121.6727 57.6463 30.1260 176.8452 52 G 4.0896 9.0815 113.7244 45.4450 0.0000 173.9924 53 G 3.9722 8.2945 107.4572 45.9551 0.0000 173.3178 54 V 5.0157 7.2390 119.3263 59.9201 34.7045 174.4410 55 F 4.9579 9.3273 121.4122 55.7117 43.5632 173.3070 56 K 5.1116 9.6060 124.3577 54.8758 34.0989 174.9087 57 A 5.0419 9.0489 128.2513 50.4144 22.9905 174.1030 58 H 5.2928 9.1590 116.6401 53.9686 31.6764 173.7455 59 L 4.7898 8.9284 124.9098 53.5751 44.5866 175.0569 60 T 4.9229 8.4182 123.8840 61.7635 71.1607 173.3841 61 F 4.6172 9.3845 126.6899 55.4382 40.2054 174.4942 62 P 4.4901 0.0000 0.0000 62.2915 31.9328 177.5428 63 K 3.6768 8.7123 120.4379 58.9556 32.2939 177.1972 64 D 4.9026 8.0042 117.6018 52.9364 39.6960 175.4603 65 Y 4.4949 8.3174 121.3304 58.1807 39.2506 173.9111 66 P 3.9430 0.0000 0.0000 62.5036 31.6299 177.7206 67 L 4.1876 7.9336 121.3974 57.1551 41.7847 177.5272 68 R 4.6608 7.7335 115.9727 53.2826 32.5963 173.9544 69 P 2.9700 0.0000 0.0000 60.8782 32.0673 174.1359 70 P 4.1811 0.0000 0.0000 62.6530 32.2745 175.2683 71 K 4.4258 8.3239 119.6033 54.8628 34.7037 175.2630 72 M 4.9650 8.1904 122.3422 53.5751 35.7557 174.1317 73 K 4.8594 8.6237 125.9482 54.5836 35.7027 175.2078 74 F 4.3458 9.2978 127.4150 58.0705 39.5254 176.0764 75 I 4.0162 8.9216 125.3795 63.6815 37.8433 176.9108 76 T 3.9596 8.0052 115.1974 63.5835 68.7391 173.7141 77 E 4.1023 8.7505 126.6039 56.8489 30.2065 175.7224 78 I 4.6248 7.9848 123.4070 59.5967 40.8824 173.0871 79 W 4.6311 8.6292 135.0000 55.7560 32.6724 174.4540 80 H 4.0208 7.3294 122.7680 54.0645 32.1283 172.4132 81 P 3.8612 0.0000 0.0000 65.3262 31.4677 176.9713 82 N 4.6081 8.2030 113.4106 52.8761 38.7547 174.0927 83 V 4.6534 7.2543 119.0090 60.7277 33.1725 175.2177 84 D 4.6841 8.5778 127.8109 52.3356 40.6391 177.1481 85 K 4.0540 8.3714 117.4143 59.0013 32.1341 178.3355 86 N 4.4537 8.7027 115.9226 54.1294 38.8284 176.1398 87 G 4.2099 8.2964 105.9826 45.7632 0.0000 173.2448 88 D 4.8163 8.1461 120.4657 54.4644 42.0548 175.2883 89 V 4.4414 8.4025 123.7167 61.8227 32.7844 174.8312 90 C 4.6629 9.0769 129.3719 57.7822 32.4531 172.6115 91 I 4.6536 7.7246 125.4501 59.0742 40.6209 176.0643 92 S 4.2958 8.7013 121.1602 61.0397 63.1772 175.9968 93 I 3.7473 7.9271 120.8766 63.3086 37.6511 176.4102 94 L 4.6731 7.5803 117.5632 54.5548 41.9664 175.3580 95 H 4.9179 8.2289 118.2266 53.7990 30.0656 174.5700 96 E 4.5164 8.7680 124.5112 55.9967 30.8333 175.0612 97 P 4.8214 0.0000 0.0000 62.2126 30.5771 175.6119 *107 P 4.4177 0.0000 0.0000 62.7257 32.8055 177.8437 108 E 4.3370 8.1595 114.8611 56.7373 29.1816 176.3959 109 E 4.6925 8.2261 116.9553 55.3491 30.1737 175.6374 110 R 5.0378 7.7206 115.4417 54.3088 32.8287 174.7306 111 W 4.6902 8.9685 131.7105 57.2626 31.2938 175.4040 112 L 4.4007 7.0226 125.7747 51.7477 44.3835 175.6634 113 P 4.3962 0.0000 0.0000 64.5259 31.3248 177.5660 114 I 3.7951 7.0587 109.4781 62.4119 38.0268 175.9395 115 H 4.2733 7.2378 120.0639 55.8590 29.1289 175.5485 116 T 4.6920 8.1252 114.1801 59.9715 72.4131 175.6245 117 V 3.6144 8.5535 119.6555 65.9798 31.2012 177.4340 118 E 4.0858 8.2850 118.7221 59.6254 29.6992 178.7368 119 T 3.8572 7.6975 115.7884 66.6634 68.4267 176.6292 120 I 3.6756 7.6772 121.4235 64.8203 37.1718 178.5089 121 M 3.7664 8.2251 119.7723 58.0742 31.5802 178.6785 122 I 3.7000 8.0360 120.4620 64.7953 37.3319 178.6124 123 S 4.1109 7.8955 115.2807 61.4985 62.3146 176.9735 124 V 3.5154 7.9903 121.2704 65.9692 31.2759 178.1977 125 I 3.7225 8.3394 119.9165 64.4533 36.4140 178.5551 126 S 4.1814 8.1107 116.3093 61.8006 62.4744 176.6827 127 M 4.2102 7.8636 118.3277 57.8995 30.9626 178.1066 128 L 4.1519 7.3875 119.1218 57.0672 42.1215 178.2814 129 A 4.4894 7.9767 118.4933 52.9798 19.4192 177.8553 130 D 4.6982 7.5457 115.5818 52.0809 42.5420 173.2055 131 P 4.4305 0.0000 0.0000 62.4641 31.2975 177.1670 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 G 8.35 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 2 L 8.33 4.23 0.00 1.67 1.59 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.06 3.98 2.11 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 0.92 0.00 0.00 0.95 0.00 0.00 4 P 0.00 4.36 0.00 2.35 1.80 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 5 R 8.83 3.91 0.00 1.79 2.03 0.00 3.31 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 6 G 8.14 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.37 4.16 0.00 4.04 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 8 L 7.91 4.01 0.00 1.72 1.74 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.93 4.02 0.00 2.01 1.83 0.86 0.67 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 10 L 8.00 3.90 0.00 1.63 1.60 -0.26 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.32 3.91 0.00 2.09 1.98 0.00 3.13 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 1.63 1.67 0.00 12 R 8.14 3.94 0.00 2.06 2.01 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 13 Q 8.32 4.08 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 14 L 8.40 3.97 0.00 1.81 1.75 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.14 3.95 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 16 E 8.78 3.93 0.00 2.23 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 0.00 2.36 2.39 0.00 17 L 8.12 4.05 0.00 1.93 1.84 1.39 1.19 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 18 N 8.29 4.45 0.00 2.85 2.85 0.00 0.00 7.08 8.30 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 19 K 7.93 4.34 0.00 1.81 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 20 N 7.57 5.05 0.00 2.78 2.72 0.00 0.00 6.98 7.97 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 21 P 0.00 4.26 0.00 2.10 1.99 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 22 V 7.51 4.27 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 0.85 0.00 0.00 0.92 0.00 0.00 23 E 8.47 4.04 0.00 1.96 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 2.33 2.33 0.00 24 G 10.75 4.16 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 0.00 25 F 6.90 6.07 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.97 4.91 0.00 3.81 3.76 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 27 A 8.60 5.36 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.73 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 29 L 7.89 4.46 0.00 1.47 1.58 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.24 3.83 1.86 0.00 0.00 0.59 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 0.46 0.90 0.00 0.00 31 D 7.69 4.64 0.00 2.63 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 32 D 8.88 4.38 0.00 2.68 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 N 8.06 4.43 0.00 2.98 2.89 0.00 0.00 6.66 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 34 D 8.35 4.68 0.00 2.63 2.54 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 35 L 8.73 4.17 0.00 1.76 1.56 0.95 0.85 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 36 Y 8.96 4.35 0.00 3.16 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 37 R 8.14 4.96 0.00 1.95 1.89 0.00 3.26 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 38 W 9.53 5.41 0.00 3.41 3.24 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 39 E 9.51 5.31 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 40 V 8.81 5.00 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 1.02 0.00 0.00 1.01 0.00 0.00 41 L 9.60 5.23 0.00 1.70 1.65 0.96 0.51 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 42 I 9.21 5.15 2.16 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.04 0.00 0.00 43 I 8.91 4.48 1.99 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 1.24 0.59 1.00 0.00 0.00 44 G 9.15 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.65 0.00 2.17 2.08 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 46 P 0.00 4.37 0.00 2.25 2.23 0.00 3.91 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 2.12 2.00 0.00 47 D 8.59 4.80 0.00 2.83 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 48 T 7.13 4.76 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 1.38 0.00 0.00 49 L 8.12 3.61 0.00 1.19 0.42 0.63 0.64 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 50 Y 7.76 4.75 0.00 3.29 3.20 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 0.00 0.00 0.00 51 E 7.82 4.32 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 52 G 9.08 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 0.00 0.00 0.00 53 G 8.29 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 54 V 7.24 5.02 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 0.64 0.00 0.00 0.95 0.00 0.00 55 F 9.33 4.96 0.00 3.17 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 56 K 9.61 5.11 0.00 1.83 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 A 9.05 5.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.16 5.29 0.00 2.98 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.93 4.79 0.00 1.51 1.39 0.49 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.42 4.92 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 1.22 0.00 0.00 61 F 9.38 4.62 0.00 2.63 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 62 P 0.00 4.49 0.00 2.49 2.16 0.00 3.80 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 2.22 2.11 0.00 63 K 8.71 3.68 0.00 1.69 1.78 0.00 1.30 0.00 0.00 0.65 0.00 0.00 2.68 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.23 7.81 64 D 8.00 4.90 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.32 4.49 0.00 3.17 3.20 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 0.00 0.00 0.00 66 P 0.00 3.94 0.00 2.13 1.19 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 67 L 7.93 4.19 0.00 1.87 1.83 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.73 4.66 0.00 1.77 1.73 0.00 3.28 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 1.67 1.76 0.00 69 P 0.00 2.97 0.00 1.50 0.87 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 70 P 0.00 4.18 0.00 1.10 0.49 0.00 2.67 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 71 K 8.32 4.43 0.00 1.54 1.59 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.18 7.81 72 M 8.19 4.97 0.00 1.82 1.58 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 73 K 8.62 4.86 0.00 1.75 1.51 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.58 7.81 74 F 9.30 4.35 0.00 3.03 3.12 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 75 I 8.92 4.02 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 0.90 0.00 0.00 76 T 8.01 3.96 4.61 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 0.00 0.00 0.00 1.29 0.00 0.00 77 E 8.75 4.10 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 78 I 7.98 4.62 1.44 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 0.95 0.48 0.21 0.00 0.00 79 W 8.63 4.63 0.00 3.27 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 80 H 7.33 4.02 0.00 2.89 2.72 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 3.86 0.00 1.89 1.94 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 82 N 8.20 4.61 0.00 2.68 2.95 0.00 0.00 6.56 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 83 V 7.25 4.65 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 0.85 0.00 0.00 0.76 0.00 0.00 84 D 8.58 4.68 0.00 2.92 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 85 K 8.37 4.05 0.00 1.76 1.93 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 86 N 8.70 4.45 0.00 2.90 2.87 0.00 0.00 7.24 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 87 G 8.30 4.21 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 88 D 8.15 4.82 0.00 2.73 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 89 V 8.40 4.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.98 0.00 0.00 90 C 9.08 4.66 0.00 2.92 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 91 I 7.72 4.65 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.81 0.00 0.00 92 S 8.70 4.30 0.00 4.26 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 93 I 7.93 3.75 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.33 0.92 0.00 0.00 94 L 7.58 4.67 0.00 1.57 1.45 0.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.23 4.92 0.00 3.35 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.77 4.52 0.00 2.00 1.94 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 2.41 2.37 0.00 97 P 0.00 4.82 0.00 2.20 1.79 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 *107 P 0.00 4.42 0.00 2.34 2.36 0.00 3.42 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 1.96 2.10 0.00 108 E 8.16 4.34 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 109 E 8.23 4.69 0.00 1.83 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 2.25 2.20 0.00 110 R 7.72 5.04 0.00 1.79 1.89 0.00 3.07 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 111 W 8.97 4.69 0.00 3.50 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 0.00 112 L 7.02 4.40 0.00 0.94 1.07 0.77 0.97 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 0.00 113 P 0.00 4.40 0.00 1.87 2.04 0.00 3.48 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 114 I 7.06 3.80 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.14 0.79 0.00 0.00 115 H 7.24 4.27 0.00 2.20 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.13 4.69 4.33 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 1.28 0.00 0.00 117 V 8.55 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.66 0.00 0.00 118 E 8.29 4.09 0.00 2.19 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 2.52 2.56 0.00 119 T 7.70 3.86 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 1.07 0.00 0.00 120 I 7.68 3.68 1.97 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 1.62 0.94 0.76 0.00 0.00 121 M 8.23 3.77 0.00 1.06 1.70 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 2.50 0.00 122 I 8.04 3.70 2.05 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 1.58 0.78 0.92 0.00 0.00 123 S 7.90 4.11 0.00 4.00 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 0.00 124 V 7.99 3.52 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 0.98 0.00 0.00 0.85 0.00 0.00 125 I 8.34 3.72 1.90 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 1.76 1.14 0.97 0.00 0.00 126 S 8.11 4.18 0.00 4.01 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 0.00 127 M 7.86 4.21 0.00 2.15 2.16 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 2.46 2.67 0.00 128 L 7.39 4.15 0.00 1.69 1.50 0.67 -0.06 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 0.00 129 A 7.98 4.49 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 0.00 130 D 7.55 4.70 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 131 P 0.00 4.43 0.00 2.40 2.26 0.00 3.94 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.