NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4900 8.1633 118.3342 55.2837 33.6981 173.1437 2 L 5.4908 8.3297 118.3860 52.2875 43.2684 175.1435 3 R 4.6573 8.7285 123.2840 54.8238 33.5581 174.7657 4 T 4.9419 8.3426 116.2249 61.2710 68.8373 173.6936 5 M 5.0717 9.1806 127.3805 53.1179 37.2860 173.9928 6 L 3.5822 8.7107 122.8397 56.0731 42.2895 176.1615 7 K 4.3514 8.6561 128.7195 58.2789 33.8851 176.1553 8 S 4.9840 8.1951 112.6765 57.2830 67.0761 173.5588 9 K 5.1794 8.3222 119.9919 56.7810 36.1761 174.3374 10 I 4.6035 8.3434 129.3119 60.2147 37.9933 174.2782 11 H 4.6390 9.2481 129.4781 55.7874 30.7977 175.5394 12 R 4.3303 8.6806 125.1176 57.2201 27.3426 176.4582 13 A 4.4016 7.4465 117.7606 52.3752 19.9096 177.4231 14 T 4.9081 8.5561 116.7450 61.6328 70.5357 175.0154 15 V 3.4463 8.9315 126.6201 63.7128 31.6207 176.0409 16 T 4.0051 8.5356 125.8277 65.9086 67.8675 175.9992 17 C 5.1252 7.2537 115.3797 57.7757 33.9475 171.4407 18 A 4.5025 8.0382 115.1898 51.8278 21.5132 175.9223 19 D 4.4796 8.3205 122.4479 52.6376 44.1488 175.3361 20 L 4.0346 9.0304 129.0049 58.5101 42.9178 177.0462 21 H 4.7526 8.4706 113.4660 55.5100 30.0563 170.0359 22 Y 3.2943 8.4305 130.1392 57.0264 39.8275 169.2172 23 V 4.3897 7.3136 125.7228 61.6873 33.6014 174.7297 24 G 4.2824 8.7817 110.5972 45.1594 0.0000 176.7033 25 S 3.1467 7.8376 117.7999 58.5853 64.0040 173.8915 26 V 5.7261 5.7066 117.4414 60.2191 34.3365 173.0755 27 T 4.9509 8.4822 118.4081 60.5649 70.2679 173.4991 28 I 4.9504 8.8647 127.8373 58.8006 40.4535 174.7756 29 D 4.6523 8.7753 124.3160 54.4309 41.6698 176.7786 30 A 3.9954 8.6440 128.8138 55.8433 18.3760 179.1620 31 D 4.3483 8.7465 117.3542 57.7505 40.9058 179.3320 32 L 4.0557 8.3434 119.6184 58.0262 41.5995 179.4627 33 M 4.1993 7.9781 118.2324 58.2820 31.8665 178.4678 34 D 4.2864 8.1969 118.9165 57.1330 40.9145 178.4659 35 A 3.8470 8.1728 121.2593 55.1349 18.3661 178.1535 36 A 4.2113 8.4382 115.4777 51.1561 18.9660 176.5598 37 D 4.2740 7.9155 113.6728 54.9918 39.2815 172.1058 38 L 4.9213 9.0292 121.8682 52.6013 46.0259 175.8787 39 L 4.6016 8.9211 123.0055 52.4081 43.3695 176.0024 40 E 3.7994 8.7861 123.5993 58.4641 29.4895 175.3455 41 G 3.8091 10.4751 117.3392 45.8046 0.0000 170.9060 42 E 4.7184 8.1623 121.3027 54.7132 33.2713 174.4266 43 Q 4.5609 9.2103 128.5323 57.0597 29.7074 175.7241 44 V 4.7497 10.5409 125.5243 61.4820 35.3373 174.0451 45 T 5.1822 9.2292 123.6152 62.0068 71.3857 173.4344 46 I 5.0577 8.4892 125.4952 59.6032 40.8562 174.9287 47 V 4.7259 8.5906 119.3532 59.5819 35.1419 174.2632 48 D 4.7568 8.5765 126.5550 53.2586 41.3488 176.8332 49 I 3.6991 8.8268 128.9743 64.7424 37.0606 177.9512 50 D 4.5327 8.4028 120.8226 56.7742 40.8785 176.6967 51 N 4.9473 8.4752 114.2776 51.9245 38.0777 174.1942 52 G 3.9992 8.6541 104.3923 46.8814 0.0000 174.0042 53 A 4.3207 7.6581 120.3812 51.9845 20.0238 178.2338 54 R 4.8538 8.2413 117.9243 55.5754 33.5127 174.7254 55 L 4.9314 8.7853 123.6547 52.7440 46.1946 176.0325 56 V 4.7904 8.0870 119.1749 61.9437 34.0410 174.0643 57 T 4.7210 9.0900 122.1912 61.4417 71.7575 171.7566 58 Y 5.3193 8.8853 121.1999 55.6388 40.5009 173.8603 59 A 5.0216 8.6780 120.2714 50.1353 22.4755 175.1315 60 I 4.8040 9.0201 122.6905 59.4297 40.4086 175.2806 61 T 4.2498 8.5267 123.8022 64.0183 68.8242 174.5570 62 G 4.1345 9.6495 116.0732 44.3638 0.0000 172.0650 63 E 4.3174 8.5205 119.8443 55.8880 31.0518 177.0744 64 R 4.4259 8.6403 123.8398 57.0947 30.9814 178.9745 65 G 4.1755 9.3027 108.3004 46.8433 0.0000 175.7597 66 S 4.1740 8.3972 114.3065 58.9526 62.9848 174.8749 67 G 4.4754 7.9248 109.1251 46.2878 0.0000 173.7283 68 V 3.6989 7.1027 118.3294 63.1309 32.8177 175.6616 69 I 4.8604 8.2561 124.9318 60.5541 40.1549 173.1729 70 G 4.1680 9.0513 113.1642 45.2008 0.0000 170.2394 71 I 4.8465 8.2113 122.9867 59.4386 39.0432 173.7684 72 N 4.8626 9.9077 126.3128 52.6681 39.3901 172.6992 73 G 4.0936 10.0866 118.2256 45.6574 0.0000 170.7062 74 A 3.7438 8.2244 126.8783 53.0060 17.0826 179.0088 75 A 4.1647 7.6212 115.9946 53.4582 18.9050 179.3593 76 A 4.0826 7.9055 118.1817 54.6799 18.7219 177.3361 77 H 4.6881 8.4422 112.9125 55.6348 30.4190 173.3795 78 L 3.7616 8.2362 120.3721 55.6037 40.1822 174.4575 79 V 4.3479 7.3141 115.9854 61.4847 32.6595 174.9387 80 H 5.0645 8.0662 120.0371 52.9698 32.6163 171.1983 81 P 4.3839 0.0000 0.0000 63.7233 31.5648 177.3732 82 G 3.9288 8.6527 107.3288 46.1032 0.0000 173.2840 83 D 5.0152 7.5265 119.3627 52.8716 43.1753 175.6253 84 L 4.8830 9.9907 124.4820 54.1582 43.2821 176.3584 85 V 4.9445 8.5557 116.9279 59.4584 36.2429 174.4671 86 I 4.8762 8.4765 120.6176 59.9021 41.3403 174.7567 87 L 5.3125 8.4822 125.7452 53.1907 44.2236 175.6318 88 I 5.0069 9.1420 123.2198 59.4340 41.7261 174.3602 89 A 4.8367 8.8683 127.0722 50.8581 21.8099 175.3378 90 Y 5.0279 8.9286 122.1233 59.1316 40.4635 174.0524 91 A 4.9137 8.2211 123.9772 52.6343 22.0231 176.7084 92 T 4.6041 8.7208 114.0681 62.3230 69.9289 173.7585 93 M 4.8898 9.3178 122.9784 53.6448 37.5507 173.9007 94 D 4.7229 8.6255 119.9655 54.0294 41.9844 176.6372 95 D 4.3351 8.8685 126.2205 57.5146 41.4409 178.6852 96 A 4.1127 7.9076 119.9620 55.2387 17.9800 179.5412 97 R 3.7621 7.9956 115.3536 59.2008 29.9199 178.6236 98 A 3.9370 7.7824 119.5457 56.0832 18.3830 179.2759 99 R 4.0816 7.5872 114.7679 58.0214 30.2463 176.9199 100 T 4.4159 7.1263 113.6144 60.8015 69.4702 173.8945 101 Y 4.7802 8.1809 123.7757 56.9586 41.6049 173.3195 102 Q 4.2483 8.8572 126.9537 53.5568 28.7217 173.4567 103 P 3.8832 0.0000 0.0000 62.1949 32.1438 177.3369 104 R 3.9871 8.4652 124.1658 56.8578 29.4623 174.5858 105 I 4.4881 7.7602 123.7864 59.5376 39.0019 175.2516 106 V 3.9999 8.5378 127.3938 60.9348 33.2859 174.8109 107 F 5.2075 8.0277 126.9804 57.4313 39.8529 175.2880 108 V 4.6529 7.8952 119.8257 59.8802 34.8283 174.7506 109 D 4.4853 8.7065 120.0490 53.5954 41.7769 176.8782 110 A 3.9318 8.3151 125.5248 54.1948 18.3554 177.7985 111 Y 4.8583 8.3156 112.4415 56.9346 38.7192 173.6673 112 N 4.2480 9.2596 123.4243 53.4885 35.5769 173.1356 113 K 4.5359 8.3060 121.3892 57.5044 39.4040 175.4059 *114 P 4.2215 0.0000 0.0000 62.2748 31.3818 178.3035 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 M 8.16 4.49 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 L 8.33 5.49 0.00 1.60 1.64 0.92 0.71 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 3 R 8.73 4.66 0.00 1.79 1.85 0.00 3.14 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 4 T 8.34 4.94 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 1.19 0.00 0.00 5 M 9.18 5.07 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 6 L 8.71 3.58 0.00 1.42 1.52 0.63 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.66 4.35 0.00 2.00 2.10 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.56 7.81 8 S 8.20 4.98 0.00 3.88 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 9 K 8.32 5.18 0.00 1.71 1.54 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.22 7.81 10 I 8.34 4.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.92 0.00 0.00 11 H 9.25 4.64 0.00 3.34 3.53 0.00 5.89 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.68 4.33 0.00 1.92 1.96 0.00 3.15 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.04 0.00 13 A 7.45 4.40 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 14 T 8.56 4.91 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 1.24 0.00 0.00 15 V 8.93 3.45 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 1.12 0.00 0.00 0.99 0.00 0.00 16 T 8.54 4.01 4.29 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 1.21 0.00 0.00 17 C 7.25 5.13 0.00 2.95 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 18 A 8.04 4.50 1.22 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 0.00 0.00 19 D 8.32 4.48 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 4.03 0.00 1.86 1.75 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.47 4.75 0.00 3.20 3.32 0.00 6.08 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.43 3.29 0.00 3.15 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 23 V 7.31 4.39 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 0.94 0.00 0.00 0.89 0.00 0.00 24 G 8.78 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 25 S 7.84 3.15 0.00 3.58 2.63 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 26 V 5.71 5.73 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.85 0.00 0.00 27 T 8.48 4.95 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 1.28 0.00 0.00 28 I 8.86 4.95 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.91 0.00 0.00 29 D 8.78 4.65 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 4.00 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 31 D 8.75 4.35 0.00 2.80 2.75 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 32 L 8.34 4.06 0.00 1.83 1.71 0.93 1.05 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 33 M 7.98 4.20 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 34 D 8.20 4.29 0.00 2.70 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 35 A 8.17 3.85 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 36 A 8.44 4.21 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 37 D 7.92 4.27 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 4.92 0.00 1.56 1.50 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.92 4.60 0.00 1.61 1.59 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.79 3.80 0.00 1.96 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 2.36 2.41 0.00 41 G 10.48 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 42 E 8.16 4.72 0.00 2.22 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 2.22 2.23 0.00 43 Q 9.21 4.56 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 10.54 4.75 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 0.96 0.00 0.00 1.05 0.00 0.00 45 T 9.23 5.18 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 1.32 0.00 0.00 46 I 8.49 5.06 1.87 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 1.22 1.02 0.90 0.00 0.00 47 V 8.59 4.73 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 0.78 0.00 0.00 0.95 0.00 0.00 48 D 8.58 4.76 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.83 3.70 2.02 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 1.22 0.53 0.91 0.00 0.00 50 D 8.40 4.53 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.48 4.95 0.00 2.76 2.83 0.00 0.00 7.07 6.63 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 52 G 8.65 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 0.00 0.00 0.00 53 A 7.66 4.32 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 54 R 8.24 4.85 0.00 1.66 1.84 0.00 3.16 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 55 L 8.79 4.93 0.00 1.58 1.52 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.09 4.79 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 0.81 0.00 0.00 0.95 0.00 0.00 57 T 9.09 4.72 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 1.19 0.00 0.00 58 Y 8.89 5.32 0.00 3.09 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 59 A 8.68 5.02 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 60 I 9.02 4.80 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.97 0.00 0.00 61 T 8.53 4.25 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 1.23 0.00 0.00 62 G 9.65 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.52 4.32 0.00 2.07 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 0.00 2.37 2.34 0.00 64 R 8.64 4.43 0.00 1.92 1.97 0.00 3.32 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 65 G 9.30 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 66 S 8.40 4.17 0.00 3.97 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 67 G 7.92 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 0.00 0.00 0.00 0.00 68 V 7.10 3.70 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 0.97 0.00 0.00 0.93 0.00 0.00 69 I 8.26 4.86 2.01 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 1.16 0.47 0.91 0.00 0.00 70 G 9.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.21 4.85 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.94 0.00 0.00 72 N 9.91 4.86 0.00 2.49 3.02 0.00 0.00 7.00 7.53 0.00 0.00 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 G 10.09 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 74 A 8.22 3.74 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 75 A 7.62 4.16 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 76 A 7.91 4.08 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 77 H 8.44 4.69 0.00 3.06 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.24 3.76 0.00 1.76 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.31 4.35 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 0.80 0.00 0.00 0.90 0.00 0.00 80 H 8.07 5.06 0.00 3.35 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.69 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 4.38 0.00 2.05 2.16 0.00 3.83 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 2.04 2.17 0.00 82 G 8.65 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 83 D 7.53 5.02 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.99 4.88 0.00 1.48 1.59 0.91 0.75 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 85 V 8.56 4.94 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 0.81 0.00 0.00 0.93 0.00 0.00 86 I 8.48 4.88 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 1.01 0.00 0.00 87 L 8.48 5.31 0.00 1.57 1.55 0.91 0.93 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 88 I 9.14 5.01 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 1.11 0.74 0.51 0.00 0.00 89 A 8.87 4.84 1.19 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 90 Y 8.93 5.03 0.00 2.96 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 91 A 8.22 4.91 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 92 T 8.72 4.60 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 1.23 0.00 0.00 93 M 9.32 4.89 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.47 0.00 94 D 8.63 4.72 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.34 0.00 2.83 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 96 A 7.91 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.00 3.76 0.00 1.68 1.79 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 98 A 7.78 3.94 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 99 R 7.59 4.08 0.00 1.84 1.99 0.00 3.16 0.00 0.00 3.29 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 100 T 7.13 4.42 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 1.23 0.00 0.00 101 Y 8.18 4.78 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.86 4.25 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 103 P 0.00 3.88 0.00 1.74 1.89 0.00 3.51 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 1.86 1.83 0.00 104 R 8.47 3.99 0.00 1.67 1.81 0.00 3.36 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 I 7.76 4.49 1.56 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 1.09 0.61 0.58 0.00 0.00 106 V 8.54 4.00 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 1.03 0.00 0.00 0.83 0.00 0.00 107 F 8.03 5.21 0.00 3.03 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 0.00 108 V 7.90 4.65 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 0.72 0.00 0.00 0.95 0.00 0.00 109 D 8.71 4.49 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.32 3.93 1.05 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 0.00 0.00 0.00 0.00 0.00 111 Y 8.32 4.86 0.00 2.97 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 0.00 112 N 9.26 4.25 0.00 2.86 2.93 0.00 0.00 6.68 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.31 4.54 0.00 1.73 1.80 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.