NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2092 8.0333 110.9235 61.3976 70.3281 174.6952 5 Y 3.7513 8.2169 120.4951 59.0767 37.7090 176.9828 6 S 4.3094 8.4568 115.1310 61.8208 63.3808 175.4156 7 Y 4.1261 7.8361 123.5842 60.1012 38.5511 177.7212 8 L 3.6524 7.6945 119.1937 58.1180 41.4568 179.9160 9 F 4.5574 8.2633 117.5574 60.0332 38.8117 177.8473 10 R 4.1083 7.7497 116.0214 59.1072 29.6111 178.7018 11 M 3.9240 8.0181 119.6940 58.0981 31.9023 178.7186 12 I 3.6856 7.8158 119.9293 64.6859 37.2074 178.7763 13 S 4.2999 7.8943 115.3621 61.4877 62.5862 176.4130 14 H 4.1508 8.0806 121.0534 59.4404 29.7179 177.2646 15 E 3.9507 8.4488 120.6161 59.3910 29.1179 179.2190 16 M 3.9961 8.4584 119.3036 58.2911 32.0975 178.4848 17 K 3.8385 7.7468 119.3443 59.7280 32.3262 178.7650 18 Q 3.8641 7.8777 117.9386 58.7585 28.6131 178.3292 19 K 3.7270 8.3781 120.8649 59.5711 32.1169 178.2534 20 A 3.8094 8.1089 120.9390 55.4985 18.1967 179.3978 21 D 4.2009 7.9299 117.1459 57.3974 40.6100 178.8123 22 Q 3.8931 8.3662 119.5314 59.0889 29.3670 178.2854 23 K 4.0016 8.1313 119.5712 59.3338 32.1063 178.9563 24 L 4.0855 7.9221 120.6257 58.3482 41.8133 178.5734 25 E 4.2994 8.3953 117.4787 58.2446 29.1983 178.6086 26 Q 4.0585 8.2291 117.9562 57.4838 28.9032 177.0188 27 F 4.6381 7.7370 117.1783 56.1898 39.9139 174.5980 28 D 4.5221 8.1246 116.9435 55.6277 39.5657 173.6647 29 I 4.5974 7.6538 117.2388 58.9889 40.7115 176.6771 30 T 4.7222 8.1533 116.8606 59.9031 71.4017 175.4785 31 N 4.1298 8.4348 118.6357 56.9641 38.9836 176.4760 32 E 4.0431 8.1325 119.3906 59.6388 29.6245 179.2850 33 Q 4.1663 8.3271 118.2125 58.7977 28.6982 179.0030 34 G 3.6016 8.2842 107.1688 48.2081 0.0000 175.5441 35 H 4.3906 8.3669 118.7427 58.7014 28.5866 178.0983 36 T 3.9448 8.0757 117.6312 66.6531 68.3190 176.4791 37 L 4.1629 8.1815 120.9162 58.0547 41.7606 179.9389 38 G 3.8044 8.4697 105.5269 47.9273 0.0000 175.0486 39 Y 4.1443 8.6509 122.1567 60.5977 38.6726 178.1075 40 L 3.9195 8.1513 118.8055 57.9646 41.8012 178.4129 41 Y 4.1492 8.3064 118.6091 60.5018 38.7882 177.5589 42 A 4.2024 7.6923 118.7540 52.7035 19.4735 176.9482 43 H 4.9895 7.3870 114.0759 54.5253 30.0753 175.3877 44 Q 4.1569 8.3784 120.6041 58.9418 29.5495 179.2513 45 Q 3.7699 7.2921 115.6006 58.5156 29.1289 178.3786 46 D 4.7298 8.1363 115.5709 53.1322 42.6739 176.6274 47 G 3.9649 8.3759 107.4760 46.1103 0.0000 172.9695 48 L 4.9460 8.3933 124.6393 52.8995 44.6347 176.0888 49 T 4.9437 8.9849 114.2504 59.1516 72.3913 175.7089 50 Q 3.9872 8.4392 119.7699 59.2020 28.6194 179.0720 51 N 4.2744 8.0576 116.8223 56.4117 38.6845 176.7315 52 D 4.3902 7.9559 120.1147 57.6590 40.9867 179.1648 53 I 3.4404 7.7428 119.7458 64.1499 37.0966 178.3553 54 A 3.9165 8.1190 121.7006 55.1269 18.1174 179.9005 55 K 3.8517 8.0624 116.7115 59.5988 31.9276 179.5875 56 A 3.8592 7.6201 119.7825 54.5303 18.2774 178.8402 57 L 4.0597 7.6098 115.1266 54.0024 42.9543 176.4129 58 Q 3.4533 7.5323 117.1498 57.1470 26.3988 172.7707 59 R 4.6870 7.8254 114.5649 53.6815 34.7479 176.3983 60 T 4.3781 8.1359 110.3217 60.9435 71.1301 175.9855 61 G 3.5949 8.4595 107.9358 47.4214 0.0000 174.1196 62 P 4.2496 0.0000 0.0000 65.7105 31.2682 178.5608 63 T 3.8158 7.6685 115.5606 66.4427 68.3683 176.7034 64 V 3.5414 7.5536 119.5647 65.9971 31.6697 177.7213 65 S 4.2370 8.2659 113.0904 61.7226 62.1650 176.0688 66 N 4.3622 8.4470 119.1504 56.1583 38.2854 177.3705 67 L 3.9699 8.1020 120.4665 57.9634 41.7973 179.5955 68 L 4.0162 8.2785 119.2066 57.7737 41.5082 179.6295 69 R 3.8916 7.9541 118.4023 59.3220 29.8038 178.0977 70 N 4.2865 7.8930 115.6771 56.7427 39.3454 176.5330 71 L 4.1669 8.0517 120.3783 57.8617 41.7429 179.1854 72 E 4.0058 8.8591 119.6225 59.1713 29.3908 178.6378 73 R 4.2316 7.9646 117.4826 58.2362 29.9827 177.4516 74 K 4.3681 7.9273 116.7392 55.4268 32.3369 176.8594 75 K 4.0386 8.2037 117.9848 57.5773 30.0539 176.7529 76 L 4.5107 7.4060 117.6661 56.3875 42.7914 176.4785 77 I 5.3001 7.6268 110.6183 59.7245 41.3936 173.2361 78 Y 5.1422 8.6243 119.8108 56.0772 41.6870 173.7065 79 R 5.3007 8.6743 115.2175 54.8714 32.8652 173.8824 80 Y 5.0195 8.4124 117.8652 55.2646 42.0577 174.6006 81 V 3.8608 8.5034 121.4542 62.4246 31.5965 175.6526 *89 K 4.0925 8.4663 126.2412 56.3433 33.1977 174.5452 90 N 4.7847 8.3375 122.0185 52.2074 40.3751 174.1212 91 I 4.6763 8.7790 124.5262 59.6237 38.9157 175.4429 92 G 3.8562 8.4970 113.6959 43.9562 0.0000 171.1339 93 L 4.8769 8.3344 123.5816 54.0466 43.3537 176.7395 94 T 4.4847 8.6232 117.0442 61.4363 70.7315 175.8297 95 T 3.8976 8.6229 117.4545 66.8766 68.3639 177.1332 96 S 4.2688 8.1611 115.8230 61.1925 62.9646 176.7049 97 G 3.5359 7.9387 109.1153 47.7267 0.0000 175.8541 98 I 3.7985 7.9968 122.6748 64.0543 37.1580 178.7260 99 K 4.0427 8.3827 119.7675 59.1928 31.5828 179.2466 100 L 3.5780 7.6363 119.9212 57.9544 42.2919 178.8212 101 V 2.1039 7.1659 118.0754 65.4904 31.4083 177.8387 102 E 3.6740 7.7697 118.0310 59.2079 29.2730 179.1478 103 A 4.0114 7.6767 120.6453 55.0214 18.3045 179.4878 104 F 4.3729 7.3529 116.0486 61.1971 38.9345 177.7422 105 T 4.2715 8.0468 115.5110 66.7662 68.2339 176.4888 106 S 4.3137 8.3759 116.0173 61.2270 62.8436 176.8000 107 I 3.6584 7.9038 123.8316 64.3489 36.8464 178.2910 108 F 4.1562 7.9810 118.0176 60.5983 38.8713 177.3026 109 D 4.4381 8.1591 117.9634 57.6209 40.7240 178.7038 110 E 4.0213 8.7603 119.3054 59.8028 29.4847 179.4836 111 M 4.1093 8.0846 118.6702 58.1013 31.9286 178.4132 112 E 3.9693 8.3689 119.5587 59.4357 29.8794 178.9728 113 Q 3.9894 8.2256 118.0419 59.3196 28.5683 178.6724 114 T 3.9522 7.7703 115.6059 66.6372 68.7084 176.4178 115 L 4.1180 7.8246 120.1980 57.7817 41.7782 179.2939 116 V 3.5841 7.9622 119.1056 66.1417 31.3666 177.8583 117 S 4.3493 8.3486 111.1670 59.6797 62.7737 174.7385 118 Q 4.1101 8.3054 123.2063 57.7944 29.0814 175.3105 119 L 4.9199 7.4946 116.1751 51.9917 45.0461 176.4036 120 S 4.4269 8.7683 116.0915 57.8855 65.0092 175.0697 121 E 3.9010 8.5680 121.6153 59.4340 29.2542 178.2356 122 E 4.1991 7.9940 120.1374 58.8994 29.7828 178.2613 123 E 4.1251 8.2853 118.6041 59.6196 29.3696 179.2899 124 N 4.3752 8.1590 116.3206 56.2914 38.2368 177.3521 125 E 3.9736 7.9568 119.5413 59.4034 29.4828 179.4271 126 Q 4.0210 8.3659 118.3202 59.2205 28.9532 178.3387 127 M 4.0173 8.3422 119.4965 58.9466 32.1454 178.4765 128 K 4.0717 8.5151 118.4470 59.0876 32.1778 179.3451 129 A 4.0310 8.2142 121.4277 55.1072 18.2493 179.4566 130 N 4.3178 8.4577 115.2769 56.4269 38.5382 177.6873 131 L 3.9791 7.9119 120.2213 58.0661 41.6540 179.7321 132 T 3.8518 7.7482 115.5859 66.1990 68.2693 176.7638 133 K 3.8601 7.9247 121.5895 59.8493 32.1890 178.6949 134 M 3.9393 8.2226 119.3199 58.4467 31.6392 178.5481 135 L 3.8487 7.9422 119.5968 58.1263 42.3815 179.0336 136 S 4.2497 7.9700 115.4904 61.5225 62.6369 176.6995 137 S 3.6183 8.0404 115.6408 61.0193 62.6121 175.7373 138 L 4.1700 7.3715 120.6578 54.3920 41.7777 176.6260 139 Q 3.9410 8.5811 123.9214 56.3617 29.3008 173.1863 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 4 T 8.03 4.21 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 1.18 0.00 0.00 5 Y 8.22 3.75 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.31 0.00 4.16 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 0.00 7 Y 7.84 4.13 0.00 2.99 3.13 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 8 L 7.69 3.65 0.00 1.54 1.42 0.72 0.94 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 9 F 8.26 4.56 0.00 3.19 3.02 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 10 R 7.75 4.11 0.00 2.03 2.36 0.00 2.79 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 11 M 8.02 3.92 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.97 0.00 12 I 7.82 3.69 2.01 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 1.52 0.69 0.97 0.00 0.00 13 S 7.89 4.30 0.00 4.13 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 14 H 8.08 4.15 0.00 3.29 3.51 0.00 5.59 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 15 E 8.45 3.95 0.00 2.12 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 0.00 2.53 2.49 0.00 16 M 8.46 4.00 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 17 K 7.75 3.84 0.00 1.83 2.00 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.64 7.81 18 Q 7.88 3.86 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 19 K 8.38 3.73 0.00 1.86 2.00 0.00 1.49 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 A 8.11 3.81 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 21 D 7.93 4.20 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 3.89 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 23 K 8.13 4.00 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 24 L 7.92 4.09 0.00 1.78 1.67 0.73 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.40 4.30 0.00 2.11 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 2.42 2.46 0.00 26 Q 8.23 4.06 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 27 F 7.74 4.64 0.00 3.24 3.13 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 28 D 8.12 4.52 0.00 2.85 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 29 I 7.65 4.60 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.29 0.86 0.00 0.00 30 T 8.15 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 1.25 0.00 0.00 31 N 8.43 4.13 0.00 2.73 2.83 0.00 0.00 6.88 7.65 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 32 E 8.13 4.04 0.00 2.06 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 2.42 2.43 0.00 33 Q 8.33 4.17 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 34 G 8.28 3.60 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 0.00 0.00 0.00 35 H 8.37 4.39 0.00 3.38 3.40 0.00 5.63 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 36 T 8.08 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 37 L 8.18 4.16 0.00 2.03 1.78 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.47 3.80 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 0.00 0.00 0.00 39 Y 8.65 4.14 0.00 3.21 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 40 L 8.15 3.92 0.00 1.91 1.75 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.31 4.15 0.00 2.95 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 42 A 7.69 4.20 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 43 H 7.39 4.99 0.00 2.48 3.00 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.38 4.16 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 45 Q 7.29 3.77 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 46 D 8.14 4.73 0.00 2.66 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 47 G 8.38 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 48 L 8.39 4.95 0.00 1.70 1.62 0.95 0.70 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 49 T 8.98 4.94 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 1.20 0.00 0.00 50 Q 8.44 3.99 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 51 N 8.06 4.27 0.00 2.71 2.84 0.00 0.00 7.13 8.08 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 52 D 7.96 4.39 0.00 2.90 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 53 I 7.74 3.44 1.99 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 1.62 1.03 0.86 0.00 0.00 54 A 8.12 3.92 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 55 K 8.06 3.85 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 56 A 7.62 3.86 0.76 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 57 L 7.61 4.06 0.00 1.65 1.62 0.64 0.76 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 58 Q 7.53 3.45 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 59 R 7.83 4.69 0.00 1.71 1.75 0.00 3.31 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 60 T 8.14 4.38 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 61 G 8.46 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 0.00 0.00 0.00 62 P 0.00 4.25 0.00 2.27 2.31 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 63 T 7.67 3.82 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 1.21 0.00 0.00 64 V 7.55 3.54 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 1.04 0.00 0.00 0.92 0.00 0.00 65 S 8.27 4.24 0.00 4.03 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 66 N 8.45 4.36 0.00 3.10 2.85 0.00 0.00 7.06 7.60 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 67 L 8.10 3.97 0.00 1.87 1.74 0.96 0.61 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 68 L 8.28 4.02 0.00 1.66 1.72 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.95 3.89 0.00 2.11 2.05 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 70 N 7.89 4.29 0.00 2.78 3.04 0.00 0.00 7.30 7.80 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 71 L 8.05 4.17 0.00 2.08 1.74 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.86 4.01 0.00 2.10 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 0.00 2.35 2.54 0.00 73 R 7.96 4.23 0.00 1.89 2.15 0.00 3.31 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 1.67 1.69 0.00 74 K 7.93 4.37 0.00 2.08 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 75 K 8.20 4.04 0.00 1.90 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.56 7.81 76 L 7.41 4.51 0.00 1.83 1.74 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.63 5.30 1.93 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 1.48 0.70 0.94 0.00 0.00 78 Y 8.62 5.14 0.00 3.10 3.10 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 79 R 8.67 5.30 0.00 1.79 1.83 0.00 3.00 0.00 0.00 3.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 80 Y 8.41 5.02 0.00 3.07 3.13 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 81 V 8.50 3.86 2.14 0.00 0.00 0.00 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 0.97 0.00 0.00 *89 K 8.47 4.09 0.00 1.82 1.69 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 90 N 8.34 4.78 0.00 1.44 2.22 0.00 0.00 6.45 7.16 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 91 I 8.78 4.68 1.81 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 1.24 0.79 0.89 0.00 0.00 92 G 8.50 3.86 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 0.00 0.00 0.00 93 L 8.33 4.88 0.00 1.68 1.78 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.62 4.48 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 1.48 0.00 0.00 95 T 8.62 3.90 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 96 S 8.16 4.27 0.00 4.05 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 97 G 7.94 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.00 3.80 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.92 1.08 0.00 0.00 99 K 8.38 4.04 0.00 1.91 1.80 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 100 L 7.64 3.58 0.00 1.69 1.36 0.96 0.55 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 0.00 101 V 7.17 2.10 1.63 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 0.15 0.00 0.00 0.71 0.00 0.00 102 E 7.77 3.67 0.00 2.04 1.87 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 2.14 2.34 0.00 103 A 7.68 4.01 1.18 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 0.00 104 F 7.35 4.37 0.00 3.08 3.02 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 0.00 105 T 8.05 4.27 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 1.30 0.00 0.00 106 S 8.38 4.31 0.00 4.16 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 0.00 107 I 7.90 3.66 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.14 0.62 0.00 0.00 108 F 7.98 4.16 0.00 3.23 3.10 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 0.00 109 D 8.16 4.44 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 0.00 110 E 8.76 4.02 0.00 2.16 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 2.34 2.39 0.00 111 M 8.08 4.11 0.00 2.10 2.30 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 2.68 2.51 0.00 112 E 8.37 3.97 0.00 2.15 2.17 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 2.34 2.43 0.00 113 Q 8.23 3.99 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 114 T 7.77 3.95 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 1.21 0.00 0.00 115 L 7.82 4.12 0.00 1.91 1.73 0.95 0.86 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 0.00 116 V 7.96 3.58 2.24 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 0.99 0.00 0.00 1.01 0.00 0.00 117 S 8.35 4.35 0.00 3.97 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 0.00 118 Q 8.31 4.11 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 119 L 7.49 4.92 0.00 1.86 1.66 0.94 0.94 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 0.00 120 S 8.77 4.43 0.00 4.05 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 0.00 121 E 8.57 3.90 0.00 2.06 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 2.38 2.38 0.00 122 E 7.99 4.20 0.00 2.08 1.93 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 2.55 2.27 0.00 123 E 8.29 4.13 0.00 2.31 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 0.00 2.35 2.37 0.00 124 N 8.16 4.38 0.00 3.07 2.87 0.00 0.00 6.97 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 0.00 125 E 7.96 3.97 0.00 2.14 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 2.34 2.58 0.00 126 Q 8.37 4.02 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 127 M 8.34 4.02 0.00 2.31 2.12 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 2.64 2.68 0.00 128 K 8.52 4.07 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 129 A 8.21 4.03 1.38 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 0.00 0.00 0.00 130 N 8.46 4.32 0.00 2.77 2.89 0.00 0.00 7.03 7.19 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 0.00 131 L 7.91 3.98 0.00 1.72 1.67 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.75 3.85 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 1.19 0.00 0.00 133 K 7.92 3.86 0.00 1.83 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 134 M 8.22 3.94 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 135 L 7.94 3.85 0.00 1.55 1.85 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.97 4.25 0.00 4.07 3.87 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 0.00 137 S 8.04 3.62 0.00 4.00 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 0.00 138 L 7.37 4.17 0.00 1.80 1.74 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.58 3.94 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.