NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2287 8.3144 121.7894 55.9308 33.4222 174.8423 2 E 4.0477 8.2757 123.8341 53.8122 30.6018 174.9563 3 S 4.3701 8.7822 122.2074 57.8270 66.4009 174.7692 4 A 4.0312 8.5105 124.4647 55.3774 18.2107 179.9645 5 A 4.2639 8.2859 119.9152 54.7102 18.4252 179.6052 6 A 4.0031 7.8244 119.2191 55.0909 18.5762 179.7316 7 K 4.1397 8.6235 119.9035 58.9888 32.1691 178.8866 8 F 4.0759 8.6900 121.3963 61.3113 39.4809 176.9595 9 E 4.0291 8.3361 118.2482 59.4174 29.0212 179.4743 10 R 3.8687 7.9356 117.7758 59.6302 30.3255 178.3577 11 Q 3.8869 7.7937 116.1791 57.9533 28.8068 176.4950 12 H 4.5297 8.0297 113.8739 53.5882 30.9274 172.7303 13 M 4.7403 7.5092 119.1511 54.1279 33.9832 176.6595 14 D 4.7963 8.8006 120.9708 53.3924 42.7629 175.0945 15 S 4.9473 7.4153 116.2064 58.0388 65.0035 171.6862 16 G 4.1011 7.1494 114.5032 44.6041 0.0000 174.9926 17 N 4.8451 8.2725 124.1327 51.0656 40.3909 174.4202 18 S 3.5816 8.2216 120.8431 57.2961 63.6022 173.1397 19 P 4.0190 0.0000 0.0000 62.5990 30.9947 175.0380 *22 S 4.3875 8.1167 111.8702 58.7746 64.5291 175.2310 23 S 4.1849 8.3549 120.1708 59.9110 63.9616 175.1414 24 N 4.6095 8.1532 118.2521 54.0812 39.3175 175.4090 25 Y 4.0510 8.1247 119.0079 62.2270 38.7818 177.4891 26 C 4.0608 8.5867 116.9981 60.0719 38.5480 176.0297 27 N 4.4856 8.1723 117.6417 56.1291 38.1777 177.0990 28 L 4.2135 7.6266 119.9247 57.5444 41.9479 179.2036 29 M 3.8233 7.7000 118.7906 58.3487 31.6886 178.7031 30 M 4.0870 8.3767 119.0974 57.6115 31.9088 178.0952 31 C 4.5730 7.3681 120.3852 60.9933 31.9683 174.8401 32 C 3.9393 8.0932 119.5252 62.7126 31.0865 174.5359 33 R 4.3027 7.9237 115.2340 55.8906 29.3490 176.4011 34 K 3.8858 7.8804 115.9276 58.2998 29.9906 176.2065 35 M 4.5343 8.4067 116.2703 55.3963 32.3822 177.2246 36 T 4.9194 7.6501 107.5017 60.4353 69.5079 172.9652 37 Q 4.6927 8.2061 120.2689 56.3959 30.2818 175.6782 38 G 4.0895 9.7591 115.7222 45.8062 0.0000 173.3941 39 K 3.3436 6.4870 115.8921 55.7215 34.7636 174.2801 40 C 4.8652 8.5210 117.1671 55.5896 41.0980 173.7187 41 K 4.2405 8.5664 126.3302 55.6129 32.2717 174.2226 42 P 4.7117 0.0000 0.0000 65.4738 31.7237 176.0575 43 V 5.0152 7.5779 116.6311 61.4545 34.9532 173.4050 44 N 4.8532 9.2620 123.9689 52.7158 42.7477 173.0037 45 T 4.9182 7.9259 120.5964 61.6420 72.2351 172.6729 46 F 4.7338 8.6476 123.8505 55.6614 41.9949 174.6402 47 V 4.6568 9.3955 123.5640 61.7763 33.6300 175.5769 48 H 5.6768 9.0892 123.0614 55.1944 30.2796 174.9501 49 E 4.7284 8.0018 119.4843 55.1897 30.8346 175.9398 50 S 4.5096 8.2626 114.5384 58.0239 65.2421 174.6272 51 L 3.9970 7.9107 121.4567 58.4956 41.6683 179.4643 52 A 3.9905 7.9504 119.9946 55.4001 18.2287 179.2053 53 D 4.2952 7.8320 116.0018 57.3808 41.1104 179.0091 54 V 3.8096 8.0086 118.8482 65.9463 31.6012 178.3334 55 K 3.8995 8.6154 118.4900 59.3390 31.8294 179.1464 56 A 3.9469 8.3112 121.2376 54.9704 18.1041 179.6171 57 V 3.6277 7.6554 116.8423 66.1879 31.2474 176.8546 58 C 3.6596 7.9744 114.0739 57.8673 40.0510 174.5693 59 S 4.3521 7.8196 116.1073 59.7650 63.7639 174.7458 60 Q 4.5381 8.0727 124.5127 55.0684 28.9289 175.5998 61 K 4.0861 8.6412 125.0614 57.6294 33.1529 177.3876 62 K 4.1587 8.6197 127.5162 56.5916 33.0220 176.8866 63 V 4.4740 8.1650 115.9713 60.1347 36.6321 174.3667 64 T 4.2136 8.2710 119.7711 63.0361 69.4200 175.8686 65 C 4.6414 9.1048 123.7968 56.6242 40.8678 175.1983 66 K 3.8027 8.8355 121.2256 59.1743 31.6551 177.9033 67 N 4.6978 8.1271 114.8983 52.5432 37.3623 176.1252 68 G 4.0062 7.9444 109.2475 46.3025 0.0000 174.8049 69 Q 4.2428 8.2989 118.9962 56.3713 29.1819 176.2128 70 T 4.7670 8.1969 108.0803 61.7514 69.3451 173.7431 71 N 5.0295 8.1079 117.3986 53.9609 38.3152 174.1324 72 C 5.3575 7.5185 115.3718 56.8834 44.2501 172.8295 73 Y 5.0585 8.8541 118.4453 56.3214 42.1827 173.8664 74 Q 5.1214 9.0700 124.4551 54.0412 31.1007 175.3699 75 S 4.5738 8.8791 122.4506 58.1655 63.2160 174.5119 76 K 4.0733 9.8464 124.3753 59.6816 32.8326 177.2781 77 S 4.9220 7.7652 114.8517 56.4097 65.7339 173.7680 78 T 4.4251 8.1603 111.3794 61.9525 69.9710 173.6943 79 M 5.0560 9.1329 121.1109 53.6559 37.1419 174.8755 80 R 4.7030 9.5831 121.3385 55.7651 31.3148 175.8275 81 I 5.1555 8.7773 117.0750 59.3711 42.2586 174.2610 82 T 5.0720 8.5878 118.4645 61.8350 71.8875 172.7570 83 D 4.9469 9.7700 128.1749 53.5721 42.9320 174.1599 84 C 5.6495 9.3898 123.9742 55.3656 38.4928 173.2331 85 R 5.3935 9.0007 122.1492 54.0990 34.0526 174.4918 86 E 4.1826 9.1372 124.5642 56.3515 30.4424 176.6191 87 T 4.2777 8.2979 116.8810 60.6424 70.4237 176.0722 88 G 3.6444 8.7080 111.4995 48.8915 0.0000 175.2420 89 S 4.2101 7.8688 114.0546 60.0229 63.2019 174.2282 90 S 4.3825 7.7170 116.7022 57.5027 62.5737 173.5413 91 K 4.4422 8.6568 126.6948 55.1679 34.7120 175.0389 92 Y 4.3066 8.7682 125.4019 57.3894 38.9875 174.2617 93 P 2.9700 0.0000 0.0000 63.2867 32.5997 176.5558 94 N 4.4838 8.6497 121.0520 52.5230 37.0431 175.1588 95 C 4.1733 7.8087 114.2572 57.2342 35.9860 173.3048 96 A 5.0818 8.7560 127.3807 50.2616 21.3895 174.8736 97 Y 5.1774 9.7532 118.2116 56.1228 42.4663 174.9600 98 K 4.5162 9.4589 124.3611 55.3961 33.8468 175.2597 99 T 5.0040 8.5887 124.7605 63.2275 69.8876 174.6806 100 T 4.6155 8.8049 122.1910 62.1605 72.7443 172.8487 101 Q 4.9380 8.7759 125.9108 55.1670 30.2017 175.5420 102 V 4.6089 9.0563 116.2199 59.9366 37.1871 174.0479 103 E 5.1424 8.7032 120.2513 55.0361 31.8007 175.6207 104 K 4.7141 8.7603 123.0502 55.0480 37.5602 175.6267 105 H 5.0589 9.6541 119.2964 55.3184 29.9993 174.8159 106 I 4.9416 8.9383 114.7264 59.2044 40.9970 174.3126 107 I 4.8321 8.6547 124.6771 59.7103 39.9029 175.0534 108 V 4.7376 8.6339 119.7143 59.2450 35.7778 174.6744 109 A 4.8502 8.8597 125.7085 51.5409 20.2551 175.6367 110 C 5.3716 9.3473 120.0585 55.2128 42.5107 173.7027 111 G 4.0900 9.1888 109.9183 45.7127 0.0000 172.6308 112 G 4.0164 9.2362 107.1294 44.4110 0.0000 172.8079 113 K 4.4007 8.0244 117.1658 53.7299 34.3524 174.8942 114 P 4.3787 0.0000 0.0000 61.8725 32.1542 176.0524 115 S 4.4211 8.4091 114.4197 58.9775 62.6117 173.3634 116 V 4.5349 8.4409 119.9268 58.3595 36.0244 173.4506 117 P 4.4644 0.0000 0.0000 63.1465 31.3944 177.5321 118 V 4.5170 8.7383 116.0697 61.4347 34.0750 175.4774 119 H 5.1502 7.9394 116.1820 54.4666 33.5065 172.2233 120 F 4.8152 8.9888 124.4070 57.2740 39.5679 174.7332 121 D 4.5535 8.6195 127.2315 56.1277 41.8162 175.7449 122 A 4.5852 6.4097 117.8034 51.7394 22.2330 174.7514 123 S 5.3197 8.8709 113.2143 56.7041 66.3624 174.7049 124 V 4.1479 8.7871 120.6065 62.1818 31.5247 174.7821 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 K 8.31 4.23 0.00 1.74 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.28 4.05 0.00 2.13 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 2.38 2.37 0.00 3 S 8.78 4.37 0.00 4.10 3.98 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 0.00 0.00 0.00 4 A 8.51 4.03 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 5 A 8.29 4.26 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 6 A 7.82 4.00 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 7 K 8.62 4.14 0.00 1.87 2.03 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.30 7.81 8 F 8.69 4.08 0.00 3.21 3.27 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 9 E 8.34 4.03 0.00 2.28 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 2.46 2.55 0.00 10 R 7.94 3.87 0.00 1.79 2.00 0.00 3.43 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 11 Q 7.79 3.89 0.00 1.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 12 H 8.03 4.53 0.00 1.86 2.75 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.51 4.74 0.00 2.11 2.19 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 2.75 2.65 0.00 14 D 8.80 4.80 0.00 2.80 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 15 S 7.42 4.95 0.00 3.94 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 16 G 7.15 4.10 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 0.00 17 N 8.27 4.85 0.00 2.64 2.62 0.00 0.00 6.86 7.63 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 18 S 8.22 3.58 0.00 3.89 3.59 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 19 P 0.00 4.02 0.00 1.72 0.53 0.00 3.19 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.00 *22 S 8.12 4.39 0.00 4.05 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 23 S 8.35 4.18 0.00 4.03 4.07 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 24 N 8.15 4.61 0.00 2.85 2.85 0.00 0.00 6.84 7.56 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 25 Y 8.12 4.05 0.00 3.12 3.01 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 0.00 0.00 0.00 26 C 8.59 4.06 0.00 3.15 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 27 N 8.17 4.49 0.00 2.91 2.92 0.00 0.00 7.16 6.74 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 28 L 7.63 4.21 0.00 1.48 1.58 0.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.70 3.82 0.00 0.76 1.05 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.67 0.00 30 M 8.38 4.09 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 C 7.37 4.57 0.00 3.08 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 32 C 8.09 3.94 0.00 2.94 2.91 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 33 R 7.92 4.30 0.00 2.03 2.10 0.00 3.62 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 34 K 7.88 3.89 0.00 1.89 1.92 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.44 7.81 35 M 8.41 4.53 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 36 T 7.65 4.92 4.45 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 1.46 0.00 0.00 37 Q 8.21 4.69 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 38 G 9.76 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 39 K 6.49 3.34 0.00 1.72 1.58 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.29 7.81 40 C 8.52 4.87 0.00 3.19 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 41 K 8.57 4.24 0.00 1.84 1.75 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.71 0.00 2.16 2.15 0.00 3.63 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 2.15 2.15 0.00 43 V 7.58 5.02 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 0.87 0.00 0.00 0.99 0.00 0.00 44 N 9.26 4.85 0.00 2.62 2.27 0.00 0.00 6.92 6.84 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 45 T 7.93 4.92 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 0.84 0.00 0.00 46 F 8.65 4.73 0.00 2.97 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 47 V 9.40 4.66 2.19 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 1.20 0.00 0.00 1.11 0.00 0.00 48 H 9.09 5.68 0.00 3.27 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.00 4.73 0.00 2.06 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 2.45 2.29 0.00 50 S 8.26 4.51 0.00 4.07 4.01 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 0.00 0.00 0.00 51 L 7.91 4.00 0.00 1.86 1.76 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 3.99 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 53 D 7.83 4.30 0.00 2.90 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 54 V 8.01 3.81 2.32 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 1.22 0.00 0.00 1.11 0.00 0.00 55 K 8.62 3.90 0.00 1.90 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.73 7.81 56 A 8.31 3.95 1.37 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 57 V 7.66 3.63 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 1.15 0.00 0.00 1.03 0.00 0.00 58 C 7.97 3.66 0.00 2.80 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 59 S 7.82 4.35 0.00 3.81 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 60 Q 8.07 4.54 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 61 K 8.64 4.09 0.00 1.85 1.83 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.47 7.81 62 K 8.62 4.16 0.00 1.56 1.44 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.99 1.51 7.81 63 V 8.16 4.47 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 0.68 0.00 0.00 0.81 0.00 0.00 64 T 8.27 4.21 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 1.21 0.00 0.00 65 C 9.10 4.64 0.00 3.11 3.15 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 66 K 8.84 3.80 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 N 8.13 4.70 0.00 2.78 2.87 0.00 0.00 6.12 7.00 0.00 0.00 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 G 7.94 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.30 4.24 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 70 T 8.20 4.77 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 1.21 0.00 0.00 71 N 8.11 5.03 0.00 2.98 3.04 0.00 0.00 6.03 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 72 C 7.52 5.36 0.00 3.07 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 73 Y 8.85 5.06 0.00 2.81 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 74 Q 9.07 5.12 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 75 S 8.88 4.57 0.00 3.95 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 76 K 9.85 4.07 0.00 1.86 2.01 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.45 7.81 77 S 7.77 4.92 0.00 3.80 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 78 T 8.16 4.43 4.19 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 1.01 0.00 0.00 79 M 9.13 5.06 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 80 R 9.58 4.70 0.00 1.76 1.90 0.00 3.07 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 81 I 8.78 5.16 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 1.02 0.00 0.00 82 T 8.59 5.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 83 D 9.77 4.95 0.00 2.75 2.68 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 84 C 9.39 5.65 0.00 2.96 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 85 R 9.00 5.39 0.00 1.81 1.84 0.00 3.17 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 86 E 9.14 4.18 0.00 2.12 1.78 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 2.04 1.62 0.00 87 T 8.30 4.28 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 1.21 0.00 0.00 88 G 8.71 3.64 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 0.00 89 S 7.87 4.21 0.00 3.85 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 90 S 7.72 4.38 0.00 3.80 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 91 K 8.66 4.44 0.00 1.96 1.85 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 92 Y 8.77 4.31 0.00 2.92 2.93 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 93 P 0.00 2.97 0.00 1.74 1.23 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 94 N 8.65 4.48 0.00 2.75 2.76 0.00 0.00 6.96 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 95 C 7.81 4.17 0.00 3.07 3.21 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 96 A 8.76 5.08 1.13 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 97 Y 9.75 5.18 0.00 2.92 2.87 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 98 K 9.46 4.52 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.51 7.81 99 T 8.59 5.00 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 1.37 0.00 0.00 100 T 8.80 4.62 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 0.00 101 Q 8.78 4.94 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 102 V 9.06 4.61 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 0.85 0.00 0.00 1.03 0.00 0.00 103 E 8.70 5.14 0.00 1.80 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 2.20 2.30 0.00 104 K 8.76 4.71 0.00 1.74 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 105 H 9.65 5.06 0.00 3.17 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.94 4.94 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 1.14 0.00 0.00 107 I 8.65 4.83 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.83 0.00 0.00 108 V 8.63 4.74 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 0.67 0.00 0.00 0.83 0.00 0.00 109 A 8.86 4.85 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 0.00 110 C 9.35 5.37 0.00 2.82 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 0.00 111 G 9.19 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 0.00 112 G 9.24 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.02 4.40 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81 114 P 0.00 4.38 0.00 2.14 2.02 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 115 S 8.41 4.42 0.00 3.85 3.74 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 0.00 116 V 8.44 4.53 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 0.73 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.46 0.00 0.73 0.86 0.00 3.36 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 1.85 1.84 0.00 118 V 8.74 4.52 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 0.73 0.00 0.00 0.99 0.00 0.00 119 H 7.94 5.15 0.00 3.08 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.99 4.82 0.00 2.75 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 0.00 121 D 8.62 4.55 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.41 4.59 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 0.00 123 S 8.87 5.32 0.00 4.06 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 0.00 124 V 8.79 4.15 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 0.84 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.