NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7660 8.0932 114.6875 57.7312 63.8363 174.2941 2 L 3.8157 8.5260 127.4439 57.5473 41.5418 179.2360 3 F 4.2873 7.8746 119.8335 61.0592 39.2369 176.5296 4 E 3.6106 7.7766 116.4441 58.2326 29.7718 178.4102 5 L 4.0192 8.2061 122.0445 58.0931 42.1823 179.0258 6 G 3.6504 8.4082 106.0355 47.7877 0.0000 175.3964 7 K 3.8528 7.6182 121.6671 59.4872 32.0777 178.8468 8 M 4.0596 8.3701 119.3989 58.3158 31.7975 178.8651 9 I 3.6039 7.7478 120.1412 63.9803 37.1045 178.1230 10 L 4.1345 8.0732 122.8886 57.8352 41.7535 178.9932 11 Q 3.5316 7.9199 116.7833 58.8005 28.5317 178.7569 12 E 4.2520 8.1545 118.9033 59.7367 30.0906 179.0652 13 T 4.2128 8.4365 109.8990 63.7272 69.0227 176.4454 *15 G 4.2088 7.5878 107.3031 44.4711 0.0000 172.0493 16 K 4.4794 7.7007 119.3121 53.7694 34.5858 175.2325 17 N 4.5173 8.4817 120.0087 53.3292 39.5411 173.5840 18 P 4.4445 0.0000 0.0000 65.7657 31.5091 177.9773 19 A 4.1223 8.1324 118.7073 55.4360 18.0213 179.4849 20 K 3.9540 8.2449 116.0985 59.9834 32.4507 178.9328 21 S 4.2243 7.8904 115.3473 59.8188 62.8036 175.1638 22 Y 4.9995 8.3291 117.0866 57.7246 39.6264 177.0268 23 G 3.7791 8.8539 110.1341 47.9555 0.0000 173.0563 24 A 4.5021 7.7830 122.1515 50.8250 20.7939 174.6870 25 Y 4.7588 9.4210 124.0648 57.9657 42.4614 174.8684 26 G 3.6281 8.0013 118.0162 47.0739 0.0000 172.8376 27 C 4.6053 9.7879 116.7731 57.7777 41.0495 174.1953 28 N 4.5554 8.9364 115.6577 53.6746 40.2577 174.1165 29 C 4.5416 8.4343 115.9780 59.7825 39.7280 171.7003 30 G 3.8126 8.5706 113.1545 45.0426 0.0000 172.4184 31 V 3.7453 7.9833 114.3502 62.6498 32.4747 177.3205 32 L 3.8307 8.4870 119.6912 54.1605 39.4508 172.5191 33 G 4.4179 8.1069 109.2391 45.2239 0.0000 173.1630 34 R 4.3354 8.3954 119.0942 56.4680 30.7520 175.4990 35 G 4.3030 9.2593 107.3447 44.5457 0.0000 172.2842 36 K 4.3331 8.3965 122.0349 55.3969 32.4264 174.9479 37 P 4.5428 0.0000 0.0000 63.2080 31.1250 176.8901 38 K 3.8586 8.9349 122.9113 59.1824 32.3820 176.0424 39 D 4.4661 7.3967 115.4978 51.3359 41.9417 175.1721 40 A 3.9496 8.7872 119.8442 55.9953 17.9258 179.7954 41 T 3.7514 7.9438 113.4303 66.9707 68.5923 176.0713 42 D 4.4618 9.0042 120.1751 57.4322 41.0738 178.4582 43 R 3.9045 8.1858 118.7890 59.4309 30.0356 178.0056 44 C 4.1658 8.1799 116.2215 60.7007 41.4642 175.9458 45 C 4.0909 7.9784 117.5342 59.6516 36.2516 175.6033 46 Y 4.0516 8.0905 121.5664 60.8553 38.4273 178.1535 47 V 3.6998 8.8719 120.0002 66.1519 31.4996 177.4918 48 H 3.9915 8.2800 118.0765 59.2421 29.5274 177.4567 49 K 3.7051 7.7261 118.8225 59.5413 32.2258 178.3950 50 C 4.3342 7.9618 116.8629 60.0405 39.8434 175.2917 51 C 4.2232 8.0448 119.3699 59.9525 43.3200 175.0650 52 Y 4.1169 7.9125 117.2075 60.7096 37.1075 178.4599 53 K 4.0136 7.8167 119.6371 58.9811 32.0356 178.8281 *57 K 4.2844 7.8437 117.8093 55.9579 33.9191 175.7947 58 L 4.3113 7.1864 117.3319 54.6801 42.1955 176.4910 59 T 4.5130 8.3141 111.1356 61.5818 71.6697 172.2307 60 G 4.2832 9.2457 117.1242 46.0141 0.0000 172.7937 61 C 4.8635 7.7420 113.5590 52.6403 40.4819 172.1423 *67 D 5.1904 8.2002 119.1402 53.7048 41.3962 174.3523 68 P 4.0949 0.0000 0.0000 66.0365 31.7431 179.7605 69 K 4.1751 8.9114 120.4159 56.6454 31.7154 180.2318 70 K 4.6522 7.9919 112.8066 56.0300 34.0603 175.7303 71 D 4.5320 8.6728 122.1803 53.8427 40.8443 176.4097 72 R 4.2639 8.6303 123.2066 56.0122 30.8072 175.2989 73 Y 4.9306 7.5089 116.5986 56.2551 41.0553 173.8686 74 S 5.1422 8.5806 116.4704 57.7165 65.3075 172.8631 75 Y 5.2617 8.1159 118.9168 56.3872 40.3802 173.2647 76 S 4.6614 9.7072 115.8245 56.4188 67.1394 173.1264 77 W 5.2671 8.8798 130.6512 55.9389 29.8771 175.0290 78 K 4.2598 8.8160 126.5033 55.1059 33.0716 176.7973 79 D 4.0367 8.9829 126.1846 55.9230 38.1592 173.6865 80 K 2.0000 6.8537 109.1241 56.9393 30.2522 175.9659 81 T 4.3893 6.0700 112.2771 61.5403 72.1468 173.5798 82 I 4.7723 8.3381 125.8598 60.6674 38.1276 175.5590 83 V 4.3814 9.2754 125.3703 61.4841 34.1181 173.5156 84 C 5.1841 8.9143 125.6874 55.9794 41.7856 174.4252 85 G 3.9653 8.0873 108.7406 45.3503 0.0000 173.0337 86 E 4.4626 8.6016 119.0637 56.7215 30.0243 176.6476 87 N 4.9689 8.6526 113.7163 52.7756 44.0072 173.6410 88 N 4.4140 8.3147 111.7783 50.3635 36.5391 172.0699 *90 P 4.4377 0.0000 0.0000 62.6041 34.0191 179.4870 91 C 4.2237 8.2732 118.3263 60.0726 45.3934 175.7699 92 L 3.9708 8.5033 120.7523 57.5725 41.2387 179.3239 93 K 3.8025 8.3502 120.1682 59.4888 32.2944 178.4693 94 E 4.0680 8.1394 116.7436 58.1547 29.5415 178.6611 95 L 3.8997 7.5210 121.9763 58.2340 42.0001 177.6959 96 C 3.4075 7.7078 118.4192 59.5481 44.4893 175.4460 97 E 3.5094 8.1172 120.0110 59.3577 28.9493 178.8420 98 C 4.3031 8.0077 116.5512 60.1773 41.5796 175.7681 99 D 4.3447 8.4865 120.7936 57.1928 40.3601 178.6850 100 K 3.7358 8.9244 120.9052 59.5133 32.1015 178.3882 101 A 3.9609 8.0815 121.1982 55.3556 18.2947 180.0603 102 V 3.4493 7.8723 117.2826 64.5887 31.4550 178.5318 103 A 3.7680 8.0064 121.4390 54.9772 18.1887 179.6641 104 I 3.7961 7.8709 118.5044 64.7145 36.9628 177.8551 105 C 4.4107 8.0071 119.5770 59.0855 38.1948 175.3376 106 L 3.9300 8.2440 120.9758 57.5376 41.1433 179.3415 107 R 3.8678 7.9951 118.5843 59.6964 29.8102 178.4241 108 E 4.0973 8.9504 118.5036 58.5258 29.3451 178.1780 109 N 5.0737 7.6338 114.4981 52.7830 39.3848 176.4131 110 L 4.1670 8.1004 121.9170 57.8181 41.8749 179.8699 111 G 3.7336 8.2802 106.7833 47.9953 0.0000 173.9620 112 T 4.4466 7.7041 107.3070 60.9000 69.3415 173.8522 113 Y 3.8933 7.8742 124.8132 58.4602 39.2330 174.4888 114 N 5.0550 9.1230 125.9468 51.3761 40.8382 175.0059 115 K 4.0615 8.8732 126.2372 59.2849 32.3362 179.0639 116 K 4.1077 8.1875 117.0998 58.8131 32.5169 177.0809 117 Y 4.4217 7.3136 116.7845 58.1101 38.6833 177.6758 118 R 3.7615 7.9925 120.8031 59.1253 30.1620 176.3288 119 Y 4.6170 7.2082 113.3265 57.0382 39.4776 173.7146 120 H 5.0249 8.5453 119.2453 54.6564 32.9417 172.4863 121 L 4.3633 8.2107 128.0636 55.0187 44.6275 175.7514 122 K 4.4359 8.6161 126.7892 53.9784 32.7766 173.0727 123 P 4.0380 0.0000 0.0000 66.6210 31.2867 177.7294 *125 F 4.5475 7.8138 114.4000 56.5322 40.5821 175.5790 126 C 4.6691 8.2145 119.3426 55.6197 34.1486 173.8427 127 K 4.2126 8.3599 123.9010 55.8643 33.6371 176.1581 *129 K 4.3658 8.3443 119.4131 56.5072 33.1066 175.7392 130 A 4.6619 8.5061 126.6213 50.7386 20.2775 177.0708 131 D 4.6076 8.6299 121.5867 53.2948 41.6473 174.7911 132 P 4.2315 0.0000 0.0000 63.1726 31.8504 177.1570 133 C 4.4428 8.7135 121.4147 56.8837 44.5659 172.9685 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 S 8.09 4.77 0.00 3.95 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 2 L 8.53 3.82 0.00 1.80 1.82 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 F 7.87 4.29 0.00 3.20 3.06 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 4 E 7.78 3.61 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.47 0.00 5 L 8.21 4.02 0.00 2.01 1.90 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.41 3.65 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 0.00 7 K 7.62 3.85 0.00 1.57 1.74 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 8 M 8.37 4.06 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.89 0.00 9 I 7.75 3.60 1.99 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 1.19 0.61 0.85 0.00 0.00 10 L 8.07 4.13 0.00 1.68 1.77 0.94 0.35 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 11 Q 7.92 3.53 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 1.69 2.27 0.00 12 E 8.15 4.25 0.00 1.98 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 0.00 2.54 2.46 0.00 13 T 8.44 4.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *15 G 7.59 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 16 K 7.70 4.48 0.00 1.85 1.59 0.00 1.59 0.00 0.00 1.34 0.00 0.00 2.63 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.16 1.24 7.81 17 N 8.48 4.52 0.00 2.74 2.70 0.00 0.00 7.07 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 18 P 0.00 4.44 0.00 2.25 2.15 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 19 A 8.13 4.12 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 0.00 0.00 0.00 0.00 0.00 20 K 8.24 3.95 0.00 1.82 2.11 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.56 7.81 21 S 7.89 4.22 0.00 2.80 2.65 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 22 Y 8.33 5.00 0.00 3.02 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 23 G 8.85 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.78 4.50 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 25 Y 9.42 4.76 0.00 3.13 2.85 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 26 G 8.00 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 27 C 9.79 4.61 0.00 3.05 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 28 N 8.94 4.56 0.00 3.00 2.86 0.00 0.00 7.01 7.70 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 29 C 8.43 4.54 0.00 3.39 3.44 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 30 G 8.57 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 31 V 7.98 3.75 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 0.76 0.00 0.00 0.94 0.00 0.00 32 L 8.49 3.83 0.00 1.87 1.90 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.11 4.42 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 0.00 34 R 8.40 4.34 0.00 1.68 1.62 0.00 2.31 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 35 G 9.26 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.40 4.33 0.00 1.82 1.75 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.36 7.81 37 P 0.00 4.54 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 38 K 8.93 3.86 0.00 0.93 0.74 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 0.42 7.81 39 D 7.40 4.47 0.00 2.92 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 40 A 8.79 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 41 T 7.94 3.75 4.32 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 0.76 0.00 0.00 42 D 9.00 4.46 0.00 2.95 2.78 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 0.00 0.00 0.00 0.00 43 R 8.19 3.90 0.00 2.03 1.93 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 44 C 8.18 4.17 0.00 3.09 3.06 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 45 C 7.98 4.09 0.00 3.13 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 46 Y 8.09 4.05 0.00 3.16 3.06 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 47 V 8.87 3.70 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 1.03 0.00 0.00 1.05 0.00 0.00 48 H 8.28 3.99 0.00 3.19 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.73 3.71 0.00 1.59 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 50 C 7.96 4.33 0.00 3.09 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 51 C 8.04 4.22 0.00 3.09 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 52 Y 7.91 4.12 0.00 2.93 2.92 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 53 K 7.82 4.01 0.00 2.03 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 *57 K 7.84 4.28 0.00 1.72 2.15 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 58 L 7.19 4.31 0.00 1.87 1.51 0.93 0.62 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 59 T 8.31 4.51 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 1.20 0.00 0.00 60 G 9.25 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 0.00 0.00 0.00 0.00 61 C 7.74 4.86 0.00 3.10 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 *67 D 8.20 5.19 0.00 2.70 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 68 P 0.00 4.09 0.00 1.62 0.49 0.00 3.48 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 1.55 1.55 0.00 69 K 8.91 4.18 0.00 1.63 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 70 K 7.99 4.65 0.00 1.78 1.89 0.00 1.43 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.81 7.81 71 D 8.67 4.53 0.00 2.92 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 72 R 8.63 4.26 0.00 1.81 1.86 0.00 3.66 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 73 Y 7.51 4.93 0.00 3.02 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 74 S 8.58 5.14 0.00 3.91 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 75 Y 8.12 5.26 0.00 3.11 3.06 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 76 S 9.71 4.66 0.00 3.88 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 77 W 8.88 5.27 0.00 3.38 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 78 K 8.82 4.26 0.00 1.77 1.62 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.37 7.81 79 D 8.98 4.04 0.00 2.64 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 80 K 6.85 2.00 0.00 1.56 1.60 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.27 7.81 81 T 6.07 4.39 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 1.15 0.00 0.00 82 I 8.34 4.77 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.97 0.77 0.00 0.00 83 V 9.28 4.38 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 1.01 0.00 0.00 0.94 0.00 0.00 84 C 8.91 5.18 0.00 2.87 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.09 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 86 E 8.60 4.46 0.00 1.99 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 2.29 0.00 87 N 8.65 4.97 0.00 2.68 2.88 0.00 0.00 7.11 8.00 0.00 0.00 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 N 8.31 4.41 0.00 3.03 3.26 0.00 0.00 6.26 7.76 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 *90 P 0.00 4.44 0.00 2.22 1.98 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 C 8.27 4.22 0.00 2.97 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 92 L 8.50 3.97 0.00 2.08 1.75 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.35 3.80 0.00 1.76 2.13 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 94 E 8.14 4.07 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 95 L 7.52 3.90 0.00 1.89 1.83 0.70 0.72 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 96 C 7.71 3.41 0.00 1.70 2.72 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 97 E 8.12 3.51 0.00 2.12 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 2.43 2.45 0.00 98 C 8.01 4.30 0.00 3.45 3.25 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 99 D 8.49 4.34 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 0.00 100 K 8.92 3.74 0.00 1.59 1.93 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 101 A 8.08 3.96 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 0.00 102 V 7.87 3.45 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 0.58 0.00 0.00 0.75 0.00 0.00 103 A 8.01 3.77 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 0.00 104 I 7.87 3.80 1.98 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 1.54 0.95 0.95 0.00 0.00 105 C 8.01 4.41 0.00 3.07 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 0.00 106 L 8.24 3.93 0.00 1.52 1.20 -0.10 0.39 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 0.00 107 R 8.00 3.87 0.00 1.97 2.10 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.05 0.00 108 E 8.95 4.10 0.00 2.13 2.00 0.00 0.00 0.00 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 2.61 0.00 109 N 7.63 5.07 0.00 2.90 2.82 0.00 0.00 6.82 6.06 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 0.00 110 L 8.10 4.17 0.00 1.83 1.76 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.28 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 0.00 112 T 7.70 4.45 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 1.25 0.00 0.00 113 Y 7.87 3.89 0.00 3.12 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 0.00 114 N 9.12 5.06 0.00 2.79 2.48 0.00 0.00 6.77 6.52 0.00 0.00 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 K 8.87 4.06 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.67 7.81 116 K 8.19 4.11 0.00 1.60 1.67 0.00 1.09 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.74 0.41 7.81 117 Y 7.31 4.42 0.00 1.86 1.79 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 0.00 118 R 7.99 3.76 0.00 1.72 1.90 0.00 3.02 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 119 Y 7.21 4.62 0.00 3.13 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 0.00 120 H 8.55 5.02 0.00 3.12 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.21 4.36 0.00 1.65 1.56 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.62 4.44 0.00 1.71 1.77 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 0.97 7.81 123 P 0.00 4.04 0.00 1.58 1.99 0.00 3.91 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 1.24 1.79 0.00 *125 F 7.81 4.55 0.00 3.14 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 0.00 126 C 8.21 4.67 0.00 3.05 3.09 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 0.00 127 K 8.36 4.21 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.50 7.81 *129 K 8.34 4.37 0.00 1.68 1.81 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 130 A 8.51 4.66 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 0.00 131 D 8.63 4.61 0.00 2.83 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 0.00 132 P 0.00 4.23 0.00 2.07 2.03 0.00 3.98 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 133 C 8.71 4.44 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.