NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2815 8.3044 120.3504 55.4793 33.2304 174.4244 2 L 3.5444 8.8951 122.8481 52.4342 39.7202 171.1933 3 M 4.1145 7.4860 115.4184 52.7023 34.8343 173.3528 4 P 4.4626 0.0000 0.0000 63.3816 31.6984 175.7358 5 R 4.3595 8.4053 113.9067 56.5677 30.9214 176.1430 6 R 4.7556 7.2940 114.7257 54.6635 33.9865 174.1630 7 M 4.5267 7.8703 114.7897 54.6553 35.7476 175.7313 8 K 3.8928 8.8775 122.9150 58.6710 32.5369 177.0754 9 Y 4.8267 7.4410 113.7609 56.1009 41.1692 175.7498 10 R 4.2814 8.7092 121.4746 58.0245 30.8503 177.2334 11 K 4.6524 7.7941 114.8723 54.4560 35.9384 175.0155 12 Q 4.7299 8.1087 118.3410 54.1398 32.8159 178.1618 13 Q 4.6193 8.2560 120.6670 54.1856 27.9688 178.4743 14 R 4.6776 8.6502 126.9665 57.0167 30.3517 171.7979 15 G 3.0770 9.0292 106.5407 44.3528 0.0000 173.7342 *19 G 3.6838 8.1528 115.7255 45.4353 0.0000 172.3902 20 A 4.3313 7.6032 133.6911 52.6142 22.5771 178.6686 21 T 4.0415 8.2667 110.5270 64.5786 70.4371 172.5547 22 K 4.3887 8.9570 127.9917 54.8526 34.7286 175.4864 23 G 4.0440 7.9213 103.8891 43.2269 0.0000 174.4154 24 G 3.6986 8.3570 102.0404 47.0251 0.0000 173.2517 25 D 4.8335 7.0608 113.6654 50.0395 39.3116 175.4190 26 Y 3.2092 6.8275 116.8004 56.6816 39.5247 173.3136 27 V 2.9133 7.1708 115.5293 62.8759 32.3169 177.9174 28 A 3.8733 8.5848 125.6675 53.2729 17.6283 177.4066 29 F 4.2140 7.8631 112.5308 58.2703 43.5321 180.5129 30 G 4.3981 8.5879 115.7752 45.2455 0.0000 172.6824 31 D 4.9004 8.9224 114.0190 54.7066 46.9286 175.0139 32 Y 4.8903 8.4847 115.7988 56.2093 41.7110 174.9993 33 G 4.7724 9.3614 110.9107 44.2666 0.0000 170.5569 34 L 5.3943 8.7942 121.5876 53.1674 44.4190 175.4070 35 V 4.8363 9.2004 126.8379 60.1749 33.9648 175.6310 36 A 4.4973 8.8230 125.1776 52.2055 19.3906 177.7858 37 L 4.8782 7.9042 117.3892 54.4660 43.3739 176.4392 38 E 4.7336 7.8275 114.7351 54.3414 32.1887 175.6216 39 P 5.2383 0.0000 0.0000 62.4250 31.3132 175.8084 40 A 3.7172 8.6614 117.6896 51.8743 18.0029 177.5229 41 W 5.7415 7.8288 119.4004 55.8750 30.7074 175.8400 42 I 4.8656 8.2989 122.9363 59.7241 39.7965 175.3887 43 T 4.8583 9.9728 117.2691 60.4183 70.3608 175.7597 44 A 4.1559 8.6803 123.7998 54.4537 18.3049 179.7709 45 Q 4.0780 8.0320 116.4958 58.1206 28.9383 177.9118 46 Q 4.1527 7.5425 117.4930 58.3284 29.2819 177.6839 47 I 3.9306 7.9289 120.8083 64.5679 37.1580 177.6172 48 E 3.9592 8.2566 118.8857 59.7746 29.2294 178.9933 49 A 3.9703 7.8646 120.1150 55.0929 18.4216 179.2237 50 A 4.0449 8.1750 118.9542 54.4546 18.8922 179.6775 51 R 3.8825 8.3210 118.0334 59.7313 30.0986 179.1687 52 V 3.6405 8.3230 117.8249 64.5907 31.2129 177.9256 53 A 4.0286 7.2189 119.4286 55.2460 18.4742 179.1931 54 M 3.8073 7.6632 117.0217 58.0829 32.1019 181.4916 55 V 4.0166 7.2563 118.4841 60.9117 31.1951 176.8393 56 R 4.4331 7.2942 118.7713 59.2529 34.3605 175.7128 57 H 4.2975 7.8677 116.0387 58.0008 30.2747 175.8075 58 F 5.1265 7.3988 112.2328 55.7050 38.8026 174.5307 59 R 4.0086 8.1849 126.5822 59.6785 30.7023 177.4709 60 R 4.6373 7.8571 116.2431 55.3787 30.4253 175.6202 61 G 3.6859 8.5745 107.8887 44.7092 0.0000 173.0838 62 G 4.3677 6.8784 106.5587 42.9415 0.0000 174.3388 63 K 4.4604 7.3350 121.4250 52.8819 30.2454 174.4753 64 I 4.4089 7.8975 127.1969 60.3755 38.3567 175.3884 65 F 4.6180 9.9240 128.1776 55.8193 40.6603 175.8723 66 I 4.3725 7.8323 119.1621 58.6251 36.3185 176.6038 67 R 4.2255 7.9097 119.7797 57.5705 30.4109 176.2331 68 I 4.6020 7.2370 112.7204 59.1778 40.6961 174.2801 69 F 4.6511 8.0694 118.1530 56.6553 41.7523 171.0303 70 P 4.5436 0.0000 0.0000 61.9843 31.5784 175.1121 71 D 4.6533 8.3104 122.2621 52.4437 41.5300 175.1799 72 K 4.2764 8.0069 121.9338 54.3499 33.1290 173.6672 73 P 3.8742 0.0000 0.0000 63.1717 31.8680 175.1996 74 Y 4.7046 8.8245 126.0165 56.3543 40.7010 174.4585 75 T 4.7554 7.3242 121.3216 61.8601 72.5946 173.1139 76 K 4.2100 7.8462 121.3677 55.7185 36.2826 174.5546 77 K 4.1468 8.6421 126.7030 54.7392 33.0281 174.1872 78 P 4.1433 0.0000 0.0000 63.9045 31.1876 175.1053 79 L 3.4847 7.6255 121.8209 53.4649 42.3191 177.5895 80 E 3.8766 8.8481 120.7305 56.6421 27.2321 174.5687 81 V 4.1503 7.1832 113.0298 59.8108 32.7665 176.4092 82 R 4.1994 8.3094 120.4622 55.3135 30.3600 175.5856 83 M 3.7863 8.4348 118.8539 55.6054 32.7559 177.9686 84 G 3.8421 9.0496 108.2234 46.2229 0.0000 173.3597 85 K 3.7049 8.8728 116.0004 57.7674 28.6544 176.0247 86 G 3.7644 8.4083 103.8209 44.6169 0.0000 172.9475 87 K 4.3677 8.0532 119.3472 54.5850 33.4128 175.5523 88 G 3.8450 8.0469 114.9372 41.9566 0.0000 172.0430 89 N 4.6302 8.2942 117.3399 51.9746 39.8208 175.5635 90 V 3.6710 8.4462 123.5971 64.1011 31.6152 175.2758 91 E 4.5693 9.6166 126.8317 55.5309 31.3377 175.6302 92 G 4.0943 6.8247 105.8231 46.6722 0.0000 171.0453 93 Y 5.1904 7.9298 115.8134 56.2189 41.9613 175.6530 94 V 5.3030 8.6687 114.0008 58.7367 36.7268 174.2217 95 A 4.5536 8.4129 124.5993 50.8976 20.8498 177.1471 96 V 4.5719 8.2152 122.5385 62.0417 30.2469 173.6248 97 V 4.1329 8.2328 123.7174 61.5724 33.0563 174.7889 98 K 4.8991 8.4380 125.7585 53.3737 36.5331 173.2652 99 P 4.1436 0.0000 0.0000 64.0557 31.4744 174.5928 100 G 3.9141 7.8162 110.0849 45.6521 0.0000 173.7253 101 R 3.5476 7.3998 115.8630 50.8981 31.0182 174.9184 102 V 4.0815 8.7299 127.7563 63.0599 31.8683 175.5107 103 M 4.2589 9.5116 129.1779 57.9424 32.9474 176.5018 104 F 5.8735 8.4454 114.5612 54.9917 44.1772 173.0753 105 E 6.3000 8.4511 116.0937 57.0540 31.1407 176.7816 106 V 4.8026 7.6191 116.6651 62.5148 34.2719 174.3658 107 A 5.1908 7.9727 120.3533 54.4257 21.0784 176.7710 108 G 3.9036 10.2782 108.5781 45.8939 0.0000 173.6254 109 V 4.2269 7.3350 115.8270 60.8544 34.5844 172.9686 110 T 3.7487 8.3992 119.4286 62.5572 67.7497 174.0984 111 E 3.2378 8.8859 128.3051 59.4516 29.2600 179.0994 112 E 3.9573 7.8983 116.4580 59.4199 29.5021 178.8481 113 Q 4.1674 8.2954 119.1489 58.3194 28.9103 177.3960 114 A 4.3897 7.3519 118.6866 53.4391 18.1300 178.7997 115 M 4.2119 7.6855 118.6253 57.9688 32.2783 177.4609 116 E 4.2436 7.9092 116.2183 57.2281 30.0226 177.3129 117 A 4.3025 7.8118 119.2320 53.9614 20.0395 178.5134 118 L 4.3541 7.3273 115.8677 56.1070 42.2905 178.9566 119 R 3.9449 8.1779 118.4796 58.9214 30.1544 178.4127 120 I 3.8554 7.6759 119.3078 64.3751 37.2216 177.6397 121 A 3.9168 8.0620 121.1736 55.3561 17.7582 179.3713 122 G 3.7598 7.5229 103.0158 46.4500 0.0000 175.2780 123 H 4.4219 8.2313 118.1618 58.4691 28.6852 177.6338 124 K 4.1773 7.5879 116.2285 56.7220 32.4845 176.6460 125 L 4.8161 7.1511 120.4045 51.9471 43.9462 175.7227 126 P 4.4255 0.0000 0.0000 64.2613 31.4288 175.3329 127 I 4.6577 6.9752 110.6749 58.6009 40.9761 174.4781 128 K 4.4201 8.3364 119.5840 56.2549 33.5780 176.7301 129 T 4.9362 8.2310 113.5935 60.1381 72.8231 172.2189 130 K 4.7089 8.4925 120.5493 55.4565 35.9998 175.3452 131 I 5.3101 8.1051 120.5779 59.0400 40.1095 174.6923 132 V 4.1850 7.6806 114.9759 61.9140 35.0845 172.5598 133 R 4.9745 7.8762 121.1386 54.9216 32.0957 176.8061 134 R 4.4123 7.9964 118.7411 56.6904 32.2159 177.6184 135 D 4.0535 8.2315 113.7255 56.3395 37.7218 178.1783 136 A 4.1419 8.8139 122.4255 53.5133 18.6611 178.8380 137 Y 3.8247 7.2543 110.7521 58.6001 38.0527 176.6392 138 D 3.9387 7.8740 121.1857 55.9233 38.2581 172.7665 139 E 4.2386 7.8456 125.7405 54.2268 29.3101 174.5982 140 A 4.1515 8.0869 122.0809 51.1691 21.1107 176.2755 141 Q 4.1489 9.0838 120.8217 57.2561 28.7673 177.6531 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 8.30 4.28 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 L 8.90 3.54 0.00 1.95 1.78 1.07 0.75 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 3 M 7.49 4.11 0.00 1.83 0.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 P 0.00 4.46 0.00 2.32 2.15 0.00 2.74 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 5 R 8.41 4.36 0.00 1.90 2.05 0.00 2.96 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 6 R 7.29 4.76 0.00 1.75 1.81 0.00 3.38 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 7 M 7.87 4.53 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 8 K 8.88 3.89 0.00 1.49 1.10 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 9 Y 7.44 4.83 0.00 2.95 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 10 R 8.71 4.28 0.00 1.83 2.00 0.00 3.16 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 11 K 7.79 4.65 0.00 1.65 1.58 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.37 7.81 12 Q 8.11 4.73 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 13 Q 8.26 4.62 0.00 2.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.17 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 14 R 8.65 4.68 0.00 2.51 2.17 0.00 3.38 0.00 0.00 3.63 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 15 G 9.03 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 0.00 0.00 0.00 *19 G 8.15 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.60 4.33 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 21 T 8.27 4.04 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 22 K 8.96 4.39 0.00 1.71 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 23 G 7.92 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 24 G 8.36 3.70 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 0.00 0.00 0.00 25 D 7.06 4.83 0.00 2.69 2.61 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 0.00 26 Y 6.83 3.21 0.00 2.39 2.30 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 27 V 7.17 2.91 2.41 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 1.14 0.00 0.00 1.26 0.00 0.00 28 A 8.58 3.87 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 0.00 0.00 0.00 0.00 0.00 29 F 7.86 4.21 0.00 2.60 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 G 8.59 4.40 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 0.00 31 D 8.92 4.90 0.00 3.01 2.86 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 0.00 0.00 0.00 32 Y 8.48 4.89 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 33 G 9.36 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 5.39 0.00 1.86 1.65 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.20 4.84 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 0.80 0.00 0.00 0.98 0.00 0.00 36 A 8.82 4.50 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 37 L 7.90 4.88 0.00 1.73 1.68 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.83 4.73 0.00 2.00 1.85 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 2.15 2.24 0.00 39 P 0.00 5.24 0.00 2.14 2.10 0.00 3.31 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 40 A 8.66 3.72 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 41 W 7.83 5.74 0.00 3.26 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 42 I 8.30 4.87 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 1.48 1.00 1.04 0.00 0.00 43 T 9.97 4.86 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 1.12 0.00 0.00 44 A 8.68 4.16 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 0.00 0.00 45 Q 8.03 4.08 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 46 Q 7.54 4.15 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 47 I 7.93 3.93 1.97 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 1.57 0.86 1.07 0.00 0.00 48 E 8.26 3.96 0.00 2.21 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 0.00 2.34 2.43 0.00 49 A 7.86 3.97 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 50 A 8.17 4.04 1.10 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 0.00 0.00 51 R 8.32 3.88 0.00 2.21 2.26 0.00 3.19 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 52 V 8.32 3.64 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 0.83 0.00 0.00 0.92 0.00 0.00 53 A 7.22 4.03 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 54 M 7.66 3.81 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 55 V 7.26 4.02 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 0.71 0.00 0.00 0.98 0.00 0.00 56 R 7.29 4.43 0.00 1.97 1.91 0.00 3.29 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 57 H 7.87 4.30 0.00 2.94 2.93 0.00 5.83 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 58 F 7.40 5.13 0.00 3.20 3.17 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 59 R 8.18 4.01 0.00 1.86 2.11 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 60 R 7.86 4.64 0.00 1.80 1.91 0.00 3.22 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 61 G 8.57 3.69 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 0.00 0.00 0.00 62 G 6.88 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 0.00 0.00 0.00 0.00 63 K 7.34 4.46 0.00 1.70 1.70 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.03 0.78 7.81 64 I 7.90 4.41 1.92 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 1.63 0.88 1.13 0.00 0.00 65 F 9.92 4.62 0.00 3.06 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 66 I 7.83 4.37 1.47 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 1.22 0.53 0.62 0.00 0.00 67 R 7.91 4.23 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.26 0.00 68 I 7.24 4.60 1.85 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 0.93 0.61 0.90 0.00 0.00 69 F 8.07 4.65 0.00 2.76 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 70 P 0.00 4.54 0.00 1.95 1.94 0.00 3.42 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 1.40 1.80 0.00 71 D 8.31 4.65 0.00 2.64 2.60 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 72 K 8.01 4.28 0.00 1.66 1.60 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.85 1.12 7.81 73 P 0.00 3.87 0.00 1.81 1.82 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 74 Y 8.82 4.70 0.00 2.74 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 75 T 7.32 4.76 4.05 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 1.08 0.00 0.00 76 K 7.85 4.21 0.00 1.46 1.33 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.29 7.81 77 K 8.64 4.15 0.00 1.75 1.69 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 78 P 0.00 4.14 0.00 2.16 2.04 0.00 3.60 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 2.10 2.11 0.00 79 L 7.63 3.48 0.00 1.65 1.54 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.85 3.88 0.00 2.13 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 2.19 2.31 0.00 81 V 7.18 4.15 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 0.94 0.00 0.00 82 R 8.31 4.20 0.00 1.91 1.93 0.00 3.07 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 83 M 8.43 3.79 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 84 G 9.05 3.84 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 0.00 0.00 0.00 85 K 8.87 3.70 0.00 1.93 1.98 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.36 7.81 86 G 8.41 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 0.00 0.00 0.00 87 K 8.05 4.37 0.00 1.68 1.67 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.37 7.81 88 G 8.05 3.84 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 0.00 0.00 0.00 89 N 8.29 4.63 0.00 2.65 2.71 0.00 0.00 7.06 7.57 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 90 V 8.45 3.67 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 0.50 0.00 0.00 0.91 0.00 0.00 91 E 9.62 4.57 0.00 1.60 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 2.30 2.30 0.00 92 G 6.82 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 93 Y 7.93 5.19 0.00 2.85 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 94 V 8.67 5.30 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 0.67 0.00 0.00 0.37 0.00 0.00 95 A 8.41 4.55 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 96 V 8.22 4.57 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 0.96 0.00 0.00 0.93 0.00 0.00 97 V 8.23 4.13 2.28 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 0.93 0.00 0.00 0.98 0.00 0.00 98 K 8.44 4.90 0.00 1.72 1.84 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.57 7.81 99 P 0.00 4.14 0.00 1.93 2.03 0.00 4.10 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 2.03 2.21 0.00 100 G 7.82 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 0.00 0.00 0.00 101 R 7.40 3.55 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 102 V 8.73 4.08 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 0.85 0.00 0.00 0.82 0.00 0.00 103 M 9.51 4.26 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 104 F 8.45 5.87 0.00 2.94 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 0.00 105 E 8.45 6.30 0.00 2.39 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 2.46 2.34 0.00 106 V 7.62 4.80 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 1.31 0.00 0.00 1.07 0.00 0.00 107 A 7.97 5.19 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 0.00 108 G 10.28 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 0.00 0.00 0.00 109 V 7.33 4.23 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 0.64 0.00 0.00 0.40 0.00 0.00 110 T 8.40 3.75 4.20 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 1.22 0.00 0.00 111 E 8.89 3.24 0.00 2.09 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 2.48 2.95 0.00 112 E 7.90 3.96 0.00 2.20 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 2.30 2.35 0.00 113 Q 8.30 4.17 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 114 A 7.35 4.39 1.15 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 0.00 0.00 115 M 7.69 4.21 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.05 0.00 116 E 7.91 4.24 0.00 1.99 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 2.52 0.00 117 A 7.81 4.30 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 0.00 118 L 7.33 4.35 0.00 1.88 1.75 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.18 3.94 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 120 I 7.68 3.86 1.98 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 1.83 0.66 0.87 0.00 0.00 121 A 8.06 3.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 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 0.00 0.00 0.00 123 H 8.23 4.42 0.00 3.32 3.32 0.00 5.63 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 0.00 124 K 7.59 4.18 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.57 7.81 125 L 7.15 4.82 0.00 1.87 1.54 0.93 0.86 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 0.00 126 P 0.00 4.43 0.00 2.16 2.17 0.00 3.72 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 1.99 2.09 0.00 127 I 6.98 4.66 1.86 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 1.31 0.74 0.96 0.00 0.00 128 K 8.34 4.42 0.00 1.73 1.76 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.43 7.81 129 T 8.23 4.94 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 1.22 0.00 0.00 130 K 8.49 4.71 0.00 1.82 1.66 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 131 I 8.11 5.31 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 1.09 0.00 0.00 132 V 7.68 4.19 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 0.66 0.00 0.00 1.09 0.00 0.00 133 R 7.88 4.97 0.00 1.48 1.52 0.00 3.07 0.00 0.00 3.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 134 R 8.00 4.41 0.00 1.70 1.90 0.00 3.26 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 135 D 8.23 4.05 0.00 2.59 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 0.00 136 A 8.81 4.14 1.29 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 0.00 0.00 137 Y 7.25 3.82 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 3.94 0.00 2.74 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 0.00 139 E 7.85 4.24 0.00 1.59 1.72 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 1.93 2.19 0.00 140 A 8.09 4.15 1.17 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 0.00 141 Q 9.08 4.15 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.