NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 K 4.2956 8.3149 122.1457 54.4759 33.3465 174.9008 7 L 4.5271 8.2990 115.2007 54.4310 42.8061 174.2727 8 H 5.0178 9.1969 115.7145 53.7575 32.4275 172.8912 9 K 4.4824 8.4644 121.0668 56.4112 32.9134 176.1308 10 E 4.8727 9.0124 122.7740 53.7160 33.6009 173.8159 11 P 4.9591 0.0000 0.0000 63.0495 32.1778 175.3592 12 A 4.9142 8.5737 123.2453 51.1223 23.0763 175.4537 13 T 4.6016 8.5172 115.4449 61.2591 71.5846 173.9236 14 L 4.2203 8.6784 128.6813 55.9191 42.3122 175.6902 15 I 4.3272 8.6673 127.2210 62.2827 38.5511 175.9189 16 K 4.5339 7.6317 120.2855 55.4151 35.5048 173.7243 17 A 4.6707 8.6668 130.0770 51.6395 19.9505 176.7311 18 I 4.2541 8.3351 124.0464 62.6671 38.9331 175.4713 19 D 4.4925 7.4334 119.2780 52.7221 41.0419 175.6599 20 G 3.8500 9.2601 105.7243 48.0858 0.0000 173.6394 21 D 5.0476 8.2608 115.6662 52.8190 41.4176 175.5321 22 T 5.1376 7.9945 114.8819 62.4380 72.6003 173.4004 23 V 4.8876 8.8323 118.2305 59.7179 36.7808 174.1530 24 K 5.1456 9.3019 123.0136 55.0392 34.2062 175.6339 25 L 5.2521 9.0720 123.5195 53.1672 46.7631 175.1830 26 M 4.8256 9.1500 122.4246 54.8995 33.6188 174.2552 27 Y 4.9961 9.0913 128.1536 55.8556 41.8763 175.6288 28 K 3.5663 9.3022 127.6840 57.5308 29.6636 176.2140 29 G 3.9555 8.3433 103.8631 45.4840 0.0000 173.3148 30 Q 4.8702 7.9451 118.5894 53.1477 31.5632 173.2667 31 P 4.9941 0.0000 0.0000 63.4277 32.0361 175.4276 32 M 4.9383 9.4058 123.1198 53.8219 37.0066 173.7996 33 T 4.9004 8.3874 115.6127 60.9342 69.7583 173.1697 34 F 5.0436 9.5021 127.0305 55.6385 42.1495 174.3165 35 R 5.0632 8.9572 123.1237 54.1708 32.6466 174.8190 36 L 4.3560 8.7234 127.3265 54.6155 41.9240 177.2192 37 L 3.9081 8.6934 124.9085 55.6255 42.8688 177.9283 38 L 4.5272 8.8014 119.8662 55.3118 39.2015 174.0150 39 V 5.0930 7.3396 110.4050 59.7766 36.2756 174.5526 40 D 5.0425 9.0619 121.6317 53.0499 44.3745 174.6823 41 T 4.7562 9.1442 116.5568 59.5676 71.3641 172.6091 42 P 4.5440 0.0000 0.0000 62.5500 32.3084 176.0663 43 E 4.1586 9.3425 124.3659 56.4015 30.2851 177.4502 44 T 4.4683 8.4291 114.3863 62.4549 72.1585 175.2754 45 K 4.3598 8.4613 119.5727 56.3310 30.5120 179.3116 46 H 4.1320 8.3524 133.2243 55.1823 28.7292 172.3337 47 P 4.3303 0.0000 0.0000 64.7323 31.6075 176.8768 48 K 4.5806 6.7602 117.5591 54.9051 33.1467 176.0078 49 K 3.8128 8.1187 124.6758 54.6149 36.7127 177.9949 50 G 3.9205 6.1589 113.4507 43.4920 0.0000 173.3215 51 V 3.8722 7.9289 118.1833 63.5024 30.9278 175.6172 52 E 4.5595 9.1709 128.2075 54.3079 31.9065 175.7800 53 K 3.8640 8.2991 123.3963 58.1777 32.5759 176.6689 54 Y 4.0851 7.9815 122.9256 59.3662 35.9383 171.2447 55 G 3.5804 8.4350 108.3028 47.4605 0.0000 174.2359 56 P 4.2885 0.0000 0.0000 65.1281 31.2397 178.5458 57 E 4.0688 8.1882 115.7906 59.2183 29.8001 178.7832 58 A 4.0168 8.4288 122.1086 55.0038 18.3707 179.6990 59 S 4.0694 8.3390 113.5004 61.8543 62.8668 176.9222 60 A 4.0072 8.0825 123.3970 54.8849 18.0064 179.4496 61 F 3.9654 8.4701 119.2013 61.8692 39.4663 177.4439 62 T 3.9079 8.1615 115.3469 66.4478 68.1610 176.3781 63 K 3.8701 8.3052 121.6132 59.4980 32.2291 178.8418 64 K 3.8588 8.1926 118.8059 59.6610 31.7780 178.9247 65 M 3.8251 7.6783 116.9325 58.8587 32.3178 178.3401 66 V 3.8198 8.0028 112.5029 64.0368 31.5898 178.5112 67 E 3.9839 8.3246 118.0451 59.1320 29.4252 177.5036 68 N 4.5636 7.9942 113.4360 53.4412 38.9791 175.2938 69 A 4.4308 7.2669 121.9860 51.7193 19.2893 178.1322 70 K 4.1873 8.9647 120.6699 58.6050 32.6155 178.2844 71 K 4.6859 8.4286 117.5617 54.5556 36.1969 175.5615 72 I 4.9389 8.3975 124.7587 59.6476 39.9196 174.4165 73 E 5.1610 9.3112 125.3011 54.6270 33.6639 175.1616 74 V 4.7184 8.7037 115.5688 59.4774 35.3962 174.6044 75 E 4.9041 9.0274 124.4826 54.4751 32.2366 175.0295 76 F 4.7071 8.8816 125.7684 57.5771 40.2157 175.6614 77 D 4.9639 8.5357 120.8130 53.3893 43.2077 175.8475 78 K 4.4642 8.6743 117.5380 57.2496 33.9107 177.6697 79 G 4.2174 8.2410 111.4371 44.9564 0.0000 173.7570 80 Q 4.1116 8.5859 121.7963 56.4768 29.3252 176.8715 81 R 4.3860 8.4023 118.1916 57.1046 30.9841 176.2442 82 T 5.0358 7.4468 106.5730 59.7484 71.9865 173.3009 83 D 4.7863 8.3844 122.8791 51.7003 41.7294 177.0683 84 K 3.7665 8.3201 117.0685 59.7941 32.4694 177.0421 85 Y 4.2675 7.9574 115.4178 57.7714 38.0331 176.1491 86 G 3.9145 8.3576 108.6218 45.3740 0.0000 173.8877 87 R 4.2936 8.2431 119.5458 55.1053 31.7071 176.4318 88 G 3.3262 8.3867 111.1934 46.1249 0.0000 172.4109 89 L 5.3660 8.9228 124.5318 53.1146 43.1490 175.6275 90 A 4.5300 8.4242 124.9087 50.7795 23.6359 173.9950 91 Y 4.7665 8.7179 117.5691 57.2688 39.5923 175.1063 92 I 4.7909 8.6073 125.1580 59.7225 39.9750 174.1736 93 Y 5.1570 9.1742 123.9804 56.0524 41.1660 174.5543 94 A 4.8601 8.9857 125.6662 50.0795 21.4868 176.1685 95 D 4.3768 9.8434 125.3632 56.0427 39.0507 175.5307 96 G 3.9555 8.3077 104.3382 45.4760 0.0000 173.3955 97 K 4.4793 7.9385 120.4977 54.8711 33.5920 175.5209 98 M 3.9162 8.5343 123.5319 55.0308 33.0814 176.9667 99 V 3.6591 8.6620 127.4804 66.1955 31.6239 177.7189 100 N 4.3741 7.9950 115.8226 56.2480 38.4069 176.8643 101 E 3.9253 8.0901 120.0239 59.0111 29.9433 178.2115 102 A 4.0745 8.0986 120.8773 55.3322 18.3627 179.5781 103 L 3.4882 8.0191 117.1954 57.8866 41.7445 180.0027 104 V 3.7281 7.4680 118.2017 66.0645 31.2592 178.0459 105 R 3.9322 8.2009 117.7737 59.1134 29.9790 177.5747 106 Q 4.2635 7.7436 115.2435 55.0820 29.0960 175.9515 107 G 3.8823 8.0608 108.7243 46.8717 0.0000 174.7666 108 L 4.6327 7.7795 116.9761 53.9307 42.3883 176.2537 109 A 4.7955 7.5194 119.1684 50.6920 22.1327 175.8768 110 K 4.8686 8.4171 118.5430 54.7523 36.0714 175.5918 111 V 4.2631 8.7902 122.2834 63.1126 32.2722 175.0057 112 A 4.2797 9.0036 128.1240 50.5691 23.3067 174.8030 113 Y 3.2287 7.3410 113.7378 58.9811 35.1133 173.3820 114 V 3.7680 7.0884 118.5242 61.8808 31.3058 174.0356 115 Y 4.8749 7.9060 125.3898 55.6137 39.2214 176.1281 116 K 4.4936 8.6794 124.9559 56.0725 32.7181 175.2110 117 P 4.6589 0.0000 0.0000 63.4386 31.8152 177.1812 118 N 4.9553 8.0708 118.5573 52.3068 37.1335 175.2179 119 N 5.1869 7.6041 111.9812 52.7488 38.6731 177.6696 120 T 3.8551 8.5927 118.4170 67.8709 68.8017 175.0284 121 H 4.8533 8.0801 116.3372 55.7844 29.0766 176.6398 122 E 3.9955 8.4302 123.3738 59.7276 29.2795 179.0351 123 Q 3.9877 8.0477 117.5244 59.0150 28.8275 177.8241 124 H 4.0920 8.2550 118.8271 59.5065 29.8281 177.1775 125 L 3.9965 8.0822 120.5770 57.7855 41.3720 179.7324 126 R 3.8834 8.3937 118.5531 58.8994 30.0798 178.9311 127 K 3.8543 8.2626 119.7076 59.7579 32.2074 179.1160 128 S 4.1077 7.9909 115.3984 61.4197 62.6161 176.2912 129 E 3.9348 8.4850 122.1712 59.0786 29.2732 178.7055 130 A 3.7173 8.0700 121.0015 54.9660 18.3258 179.3702 131 Q 3.7784 7.8746 117.3515 59.3723 29.1503 178.3295 132 A 3.9910 8.0317 121.7228 55.1022 18.2676 179.8667 133 K 3.4809 7.8533 117.3481 59.2407 31.8398 179.8175 134 K 3.9174 7.9402 118.1434 59.6464 32.5960 178.2688 135 E 4.1391 8.3348 117.5995 55.6778 30.0847 176.3340 136 K 4.1419 7.8701 117.3592 56.0858 30.4731 175.4466 137 L 4.3123 8.2428 118.2018 55.4773 44.4787 178.4125 138 N 3.5318 9.4549 118.8303 54.0501 38.2492 176.0974 139 I 3.0468 5.4200 124.5519 64.7068 37.4522 176.7262 140 W 4.8417 8.0008 118.3411 56.5408 29.1460 176.6691 141 S 4.4441 8.1686 120.0352 58.5526 62.6664 173.9460 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 *6 K 8.31 4.30 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 L 8.30 4.53 0.00 1.89 1.78 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.20 5.02 0.00 3.21 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.46 4.48 0.00 1.56 1.74 0.00 1.40 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.22 7.81 10 E 9.01 4.87 0.00 2.05 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 0.00 2.27 2.16 0.00 11 P 0.00 4.96 0.00 1.96 1.99 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 12 A 8.57 4.91 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 13 T 8.52 4.60 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 1.22 0.00 0.00 14 L 8.68 4.22 0.00 1.65 1.58 0.92 1.08 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 15 I 8.67 4.33 1.97 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 1.15 0.84 0.94 0.00 0.00 16 K 7.63 4.53 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 A 8.67 4.67 1.25 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 0.00 0.00 18 I 8.34 4.25 2.08 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 1.38 0.92 0.91 0.00 0.00 19 D 7.43 4.49 0.00 2.79 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 20 G 9.26 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 0.00 0.00 0.00 21 D 8.26 5.05 0.00 2.84 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 22 T 7.99 5.14 4.39 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 1.26 0.00 0.00 23 V 8.83 4.89 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 0.72 0.00 0.00 0.96 0.00 0.00 24 K 9.30 5.15 0.00 1.69 1.77 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 25 L 9.07 5.25 0.00 1.69 1.52 0.24 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.15 4.83 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 27 Y 9.09 5.00 0.00 3.31 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 28 K 9.30 3.57 0.00 1.54 1.61 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.87 7.81 29 G 8.34 3.96 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 0.00 0.00 0.00 30 Q 7.95 4.87 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 31 P 0.00 4.99 0.00 2.14 2.16 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 9.41 4.94 0.00 1.72 2.07 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.51 0.00 33 T 8.39 4.90 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 1.21 0.00 0.00 34 F 9.50 5.04 0.00 3.09 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 35 R 8.96 5.06 0.00 1.84 1.74 0.00 3.33 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 36 L 8.72 4.36 0.00 1.59 1.62 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.69 3.91 0.00 0.96 1.33 0.32 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.80 4.53 0.00 2.02 1.86 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.34 5.09 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 0.78 0.00 0.00 0.97 0.00 0.00 40 D 9.06 5.04 0.00 2.73 2.42 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 41 T 9.14 4.76 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 1.21 0.00 0.00 42 P 0.00 4.54 0.00 2.08 2.08 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 43 E 9.34 4.16 0.00 2.10 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 0.00 2.38 2.37 0.00 44 T 8.43 4.47 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 45 K 8.46 4.36 0.00 2.07 0.99 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 H 8.35 4.13 0.00 3.19 3.17 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 47 P 0.00 4.33 0.00 2.10 2.13 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 48 K 6.76 4.58 0.00 1.36 1.68 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 49 K 8.12 3.81 0.00 1.88 1.53 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.37 7.81 50 G 6.16 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 51 V 7.93 3.87 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 0.78 0.00 0.00 0.98 0.00 0.00 52 E 9.17 4.56 0.00 1.91 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 2.25 2.45 0.00 53 K 8.30 3.86 0.00 1.62 1.65 0.00 1.15 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.95 7.81 54 Y 7.98 4.09 0.00 3.24 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 55 G 8.43 3.58 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 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.15 2.11 0.00 3.55 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 57 E 8.19 4.07 0.00 2.25 2.29 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 2.74 2.57 0.00 58 A 8.43 4.02 1.36 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 0.00 0.00 59 S 8.34 4.07 0.00 4.02 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 60 A 8.08 4.01 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 61 F 8.47 3.97 0.00 3.21 3.19 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 62 T 8.16 3.91 4.44 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 1.25 0.00 0.00 63 K 8.31 3.87 0.00 1.94 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.56 7.81 64 K 8.19 3.86 0.00 2.02 1.68 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 65 M 7.68 3.83 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 66 V 8.00 3.82 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 0.88 0.00 0.00 1.01 0.00 0.00 67 E 8.32 3.98 0.00 2.01 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 0.00 2.34 2.36 0.00 68 N 7.99 4.56 0.00 2.79 2.82 0.00 0.00 7.01 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 69 A 7.27 4.43 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 70 K 8.96 4.19 0.00 1.92 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81 71 K 8.43 4.69 0.00 1.67 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.40 4.94 2.03 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 1.33 0.96 0.84 0.00 0.00 73 E 9.31 5.16 0.00 1.88 1.76 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 2.19 2.24 0.00 74 V 8.70 4.72 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 0.04 0.00 0.00 0.43 0.00 0.00 75 E 9.03 4.90 0.00 2.18 2.20 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 2.51 2.55 0.00 76 F 8.88 4.71 0.00 3.08 2.95 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 77 D 8.54 4.96 0.00 2.68 2.95 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 78 K 8.67 4.46 0.00 1.94 1.97 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.42 7.81 79 G 8.24 4.22 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 0.00 80 Q 8.59 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 81 R 8.40 4.39 0.00 1.71 1.68 0.00 3.09 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 82 T 7.45 5.04 4.22 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 1.13 0.00 0.00 83 D 8.38 4.79 0.00 2.92 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 84 K 8.32 3.77 0.00 1.55 1.76 0.00 1.22 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 0.23 7.81 85 Y 7.96 4.27 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 87 R 8.24 4.29 0.00 2.03 1.78 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 G 8.39 3.33 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 0.00 89 L 8.92 5.37 0.00 1.57 1.63 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.72 4.77 0.00 3.00 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 92 I 8.61 4.79 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.87 0.00 0.00 93 Y 9.17 5.16 0.00 2.86 2.82 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 94 A 8.99 4.86 1.20 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 0.00 0.00 95 D 9.84 4.38 0.00 2.76 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 96 G 8.31 3.96 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 0.00 0.00 0.00 97 K 7.94 4.48 0.00 1.99 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 98 M 8.53 3.92 0.00 1.93 1.67 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.36 0.00 99 V 8.66 3.66 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 1.04 0.00 0.00 0.94 0.00 0.00 100 N 7.99 4.37 0.00 2.92 2.92 0.00 0.00 6.79 7.66 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 0.00 101 E 8.09 3.93 0.00 2.01 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 2.30 2.23 0.00 102 A 8.10 4.07 1.64 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 0.00 0.00 103 L 8.02 3.49 0.00 1.84 1.63 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.47 3.73 2.20 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 1.09 0.00 0.00 0.98 0.00 0.00 105 R 8.20 3.93 0.00 2.03 2.10 0.00 3.33 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.74 4.26 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.35 1.80 0.00 107 G 8.06 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 0.00 0.00 0.00 108 L 7.78 4.63 0.00 1.31 1.51 0.45 0.88 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 0.00 109 A 7.52 4.80 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 0.00 110 K 8.42 4.87 0.00 2.11 1.86 0.00 1.31 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.30 7.81 111 V 8.79 4.26 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 0.96 0.00 0.00 112 A 9.00 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.34 3.23 0.00 3.05 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 0.00 114 V 7.09 3.77 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 0.81 0.00 0.00 0.92 0.00 0.00 115 Y 7.91 4.87 0.00 3.06 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 0.00 116 K 8.68 4.49 0.00 1.81 1.80 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.49 7.81 117 P 0.00 4.66 0.00 2.22 2.17 0.00 3.80 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 2.02 2.01 0.00 118 N 8.07 4.96 0.00 3.02 2.88 0.00 0.00 6.64 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 0.00 119 N 7.60 5.19 0.00 2.87 3.00 0.00 0.00 6.10 7.22 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 0.00 120 T 8.59 3.86 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 1.11 0.00 0.00 121 H 8.08 4.85 0.00 2.92 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.43 4.00 0.00 2.16 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 0.00 2.33 2.38 0.00 123 Q 8.05 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.26 4.09 0.00 3.22 3.47 0.00 5.87 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 0.00 125 L 8.08 4.00 0.00 1.92 1.72 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.39 3.88 0.00 2.01 1.95 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 127 K 8.26 3.85 0.00 1.78 2.08 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.61 7.81 128 S 7.99 4.11 0.00 3.98 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 0.00 129 E 8.49 3.93 0.00 2.12 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 0.00 2.18 2.55 0.00 130 A 8.07 3.72 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 0.00 131 Q 7.87 3.78 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 8.03 3.99 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 3.48 0.00 1.47 1.30 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.66 7.81 134 K 7.94 3.92 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.42 7.81 135 E 8.33 4.14 0.00 1.94 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 0.00 2.33 2.48 0.00 136 K 7.87 4.14 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 137 L 8.24 4.31 0.00 1.76 1.69 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.45 3.53 0.00 2.56 1.44 0.00 0.00 7.12 7.30 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 0.00 139 I 5.42 3.05 1.06 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 0.92 -0.10 -0.51 0.00 0.00 140 W 8.00 4.84 0.00 3.41 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 0.00 141 S 8.17 4.44 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.