NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 4.2383 8.1844 122.4922 55.2095 43.2124 176.0106 30 H 4.6119 8.6029 124.3831 54.6027 32.1120 171.5862 31 C 4.9588 9.4590 125.3188 55.1939 42.2322 172.9756 32 V 4.4972 7.2680 115.1238 59.9724 36.2484 176.8817 33 G 3.8640 8.2401 109.0791 47.6529 0.0000 174.6638 34 D 5.0473 8.4508 117.2567 55.0015 41.0125 175.2960 35 T 5.2703 7.5293 107.0843 60.0202 72.5468 172.9141 36 Y 5.0495 8.4025 119.3876 54.4732 41.6880 172.6360 37 P 4.8726 0.0000 0.0000 62.7191 32.6801 175.6642 38 S 4.4870 9.4061 117.2459 58.5296 65.8431 173.9051 39 N 3.9743 9.6358 124.4422 54.6253 35.8735 173.7997 40 D 4.4636 8.7009 111.5528 54.7159 39.8514 172.3399 41 R 4.6097 7.8403 112.9528 54.7563 32.7141 172.2344 42 C 5.1629 8.3554 114.8634 55.4715 42.0843 174.4182 43 C 4.9048 8.3385 119.8471 55.1344 43.5703 172.8355 44 H 4.9238 8.4664 119.0357 55.3087 29.1855 175.3877 45 E 4.4893 8.8662 122.8296 56.2315 30.5864 176.1577 46 C 4.5881 8.8212 119.0754 57.2603 35.8913 174.0519 47 R 4.6342 8.4357 121.0682 54.2157 32.0246 174.0500 48 P 4.4077 0.0000 0.0000 64.8144 31.8218 177.2852 49 G 4.0523 9.9004 110.3623 45.4355 0.0000 172.6432 50 N 5.4772 7.9119 115.1210 51.3005 42.7886 173.8216 51 G 4.2444 8.7523 107.8061 44.4467 0.0000 171.5412 52 M 4.6741 8.3352 122.1977 55.2406 32.4437 176.0681 53 V 4.1581 8.9788 126.7281 64.8372 33.0304 176.3687 54 S 4.6858 7.5545 113.1823 56.9641 65.9698 174.4919 55 R 4.6136 8.6061 122.3262 55.8215 30.8706 175.0396 56 C 4.7085 9.2199 116.8632 56.1937 41.1084 172.8614 57 S 4.4922 8.7836 112.7240 57.1102 65.5209 174.2538 58 R 3.9433 8.7640 119.0642 59.4922 29.7530 177.7521 59 S 4.7731 7.9469 109.6923 57.7679 64.6936 173.2785 60 Q 4.6066 7.7102 118.4083 54.0532 32.3153 174.5791 61 N 4.9931 8.4891 117.9187 52.7456 39.9208 175.0761 62 T 4.1787 8.5201 117.0650 64.5119 69.5360 173.9557 63 V 4.2970 9.1420 126.0309 61.6511 33.3130 173.6214 64 C 5.4753 8.8018 125.0346 55.3189 42.4605 173.7443 65 R 4.8260 8.8355 119.9639 53.5098 33.9826 173.2215 66 P 4.7682 0.0000 0.0000 63.0051 32.1011 176.9485 67 C 4.3627 8.7742 121.7498 57.1165 36.7589 174.4454 68 G 3.8883 8.5886 112.4220 43.7206 0.0000 170.8053 69 P 4.4004 0.0000 0.0000 64.2479 31.5679 177.3912 70 G 3.8069 9.3008 110.4907 45.1690 0.0000 172.2711 71 F 5.5054 7.9710 116.9649 55.9652 42.9728 173.5163 72 Y 5.1037 8.9781 118.1018 56.2739 42.1923 173.4225 73 N 4.9085 9.8973 119.3222 52.5386 41.8725 174.2621 74 D 5.2373 8.9818 124.5492 52.9666 40.4411 175.7459 75 V 4.6331 7.3762 111.8308 59.2711 36.1861 175.0121 76 V 4.1336 8.3299 122.2116 63.1929 32.0445 175.0863 77 S 4.6516 8.9617 121.1092 57.1500 67.1011 173.9327 78 S 4.7774 8.4108 114.1889 58.3868 63.4472 174.2173 79 K 4.7139 7.7280 117.5225 53.5666 36.2121 174.6970 80 P 4.5243 0.0000 0.0000 62.6642 31.8782 177.0766 81 C 4.5201 8.3394 116.9510 57.2924 40.6995 173.3073 82 K 4.8444 8.4926 120.2970 53.9820 34.5401 174.4632 83 P 4.0964 0.0000 0.0000 62.5242 31.9468 176.2663 84 C 4.5395 8.2868 121.1936 59.9218 28.8348 173.8989 85 T 4.1435 8.6402 119.1515 62.9969 68.9116 174.6370 86 W 4.7040 8.4208 124.7152 55.6325 30.5328 176.9953 87 C 4.5456 8.6855 119.9988 56.6334 35.3130 174.0805 88 N 4.6337 8.5164 122.9005 52.5518 36.6847 175.3407 89 L 4.4382 8.1290 124.2697 56.8419 42.2882 180.0815 90 R 4.0249 7.9452 116.9235 58.9008 30.1941 177.9324 91 S 4.2116 7.8941 111.1386 59.0608 63.6788 174.2217 92 G 3.8558 7.6652 107.5870 45.1438 0.0000 173.8348 93 S 4.7127 8.0549 116.0609 58.4937 63.9174 172.7294 94 E 4.7892 9.2586 124.2284 54.3525 33.7771 174.8299 95 R 4.3939 8.6823 124.4401 56.6932 30.2606 175.4936 96 K 4.2582 9.0306 128.8545 58.3492 32.9654 176.1754 97 Q 4.6522 7.6663 120.1699 53.6960 32.0591 174.2338 98 L 4.3467 8.5522 125.6769 54.7762 42.6057 176.4333 99 C 4.2402 8.4393 122.0129 59.8624 32.7189 172.4815 100 T 4.6649 8.3061 119.2308 59.7574 70.0998 174.2007 101 A 4.2072 8.6058 123.7914 55.0082 18.5330 179.0862 102 T 4.6905 7.8391 103.6735 62.0212 70.0481 173.7525 103 Q 4.6519 7.6392 122.8270 54.7206 32.7323 173.5346 104 D 3.9460 8.1289 125.5404 53.4689 42.3396 175.5208 105 T 3.8862 8.0321 118.1885 64.4754 69.2960 173.6312 106 V 4.1759 8.3670 125.4549 61.7333 33.1083 173.7412 107 C 5.4722 8.7076 125.1939 55.2986 41.0736 173.2750 108 R 4.9162 8.7356 120.7868 54.5075 34.5361 173.8646 109 C 4.9165 8.8467 119.6203 56.5376 38.8710 173.8344 110 R 4.6914 8.5736 119.8647 55.2572 30.9968 175.7090 111 A 4.1295 8.3893 122.2826 53.6958 19.0680 178.1347 112 G 4.0696 9.8596 110.3201 45.3823 0.0000 172.7323 113 T 5.2376 7.3690 108.1357 60.0934 72.5686 173.0179 114 Q 4.5699 9.1958 122.3008 53.7077 32.6914 172.6120 115 P 4.6053 0.0000 0.0000 63.0816 31.9140 175.3714 116 L 4.2543 8.4511 120.4630 56.7868 42.6287 178.4546 117 D 4.7115 7.6327 118.5699 54.1473 42.3232 176.1102 118 S 4.4696 8.4787 113.0487 60.4420 63.3650 174.8829 119 Y 4.2143 8.0164 116.1524 59.9164 38.2129 175.9855 120 K 4.6559 7.7237 118.1855 54.2983 32.3255 173.1568 121 P 4.4703 0.0000 0.0000 64.0073 32.3265 177.2335 122 G 4.2720 8.8578 109.0324 45.1435 0.0000 174.8818 123 V 3.7836 7.8662 120.1090 65.1164 32.1114 174.9730 124 D 5.2487 7.9407 119.7959 52.8243 42.7293 176.2585 125 C 5.5561 8.7985 120.0532 55.1515 41.2351 173.1295 126 A 4.8632 8.9519 120.8012 49.7031 22.3686 174.3903 127 P 4.7966 0.0000 0.0000 62.4888 32.3425 176.2756 128 C 4.3270 8.2887 119.8166 59.2851 28.7406 172.3985 129 P 4.4359 0.0000 0.0000 61.2101 31.8348 174.0690 130 P 3.9509 0.0000 0.0000 64.4915 31.6325 177.0240 131 G 2.3507 8.1582 109.8711 45.3073 0.0000 171.9679 132 H 5.3517 6.7626 115.1890 53.4112 32.4654 172.8490 133 F 5.5456 8.7748 114.0866 55.6350 42.0457 173.6824 134 S 4.6695 9.1474 113.7673 56.5398 65.3241 173.2649 135 P 4.5137 0.0000 0.0000 64.0138 32.0325 176.4729 136 G 3.7343 7.6283 104.6362 45.3325 0.0000 172.3667 137 D 4.5789 8.9224 114.1668 55.6697 40.0183 175.2327 138 N 4.3919 8.2719 111.3579 53.4977 36.3188 174.3461 139 Q 4.0997 7.6755 117.3234 55.2683 29.3843 176.1814 140 A 4.1496 8.1757 124.8393 51.9785 19.2276 176.8414 141 C 4.4268 8.3447 117.9631 59.6110 29.2267 173.4993 142 K 4.5408 7.9352 121.2769 53.4768 35.7584 174.0329 143 P 4.8116 0.0000 0.0000 62.8413 31.9729 176.3078 144 W 4.8822 8.5427 123.7093 57.1052 29.8132 176.3971 145 T 3.9113 8.7345 121.5057 63.5987 68.0544 173.9852 146 N 4.6746 8.7071 126.1913 52.6224 37.2681 174.3070 147 C 4.2886 8.6485 125.4074 62.6266 28.9195 174.3948 148 T 4.5381 7.3502 111.8565 58.9398 67.1061 172.1300 149 L 4.4432 7.4487 129.2340 56.9466 49.5439 175.5314 150 A 3.8275 7.2383 118.3133 55.1889 18.4658 178.1355 *154 T 4.1844 7.4795 118.1295 63.1740 68.7983 174.2373 155 L 4.1172 8.5984 127.4424 57.0846 42.1182 178.2317 156 Q 4.6790 7.6238 116.7383 53.0931 32.2853 173.6882 157 P 4.5952 0.0000 0.0000 62.2859 32.4974 175.8129 158 A 3.9140 7.6941 122.2678 51.6695 19.4166 176.5886 159 S 4.6362 8.3836 113.4824 56.4278 66.6543 174.7819 160 N 4.8794 9.0763 116.9248 55.6666 36.9213 176.5583 161 S 4.9185 7.6892 110.2217 58.7562 64.2155 173.7232 162 S 4.6733 7.6407 113.6934 57.2770 66.2256 173.5375 163 D 4.1915 7.8073 120.6168 53.1626 42.0087 175.7332 164 A 4.1718 8.0210 124.4423 52.0488 19.3956 176.8553 165 I 4.4308 8.2785 120.9465 59.6099 40.4246 176.1360 166 C 4.3490 8.4485 121.5466 59.9693 28.4608 173.9578 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 29 L 8.18 4.24 0.00 1.60 1.64 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.60 4.61 0.00 3.14 3.12 0.00 5.75 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 31 C 9.46 4.96 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 32 V 7.27 4.50 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 0.70 0.00 0.00 0.88 0.00 0.00 33 G 8.24 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 34 D 8.45 5.05 0.00 2.65 2.72 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 0.00 0.00 0.00 35 T 7.53 5.27 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 1.15 0.00 0.00 36 Y 8.40 5.05 0.00 2.96 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 37 P 0.00 4.87 0.00 2.11 2.10 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 38 S 9.41 4.49 0.00 3.95 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 39 N 9.64 3.97 0.00 2.87 2.86 0.00 0.00 7.03 8.06 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 40 D 8.70 4.46 0.00 2.78 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 41 R 7.84 4.61 0.00 1.97 1.94 0.00 2.84 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 42 C 8.36 5.16 0.00 2.72 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 43 C 8.34 4.90 0.00 1.23 2.39 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 44 H 8.47 4.92 0.00 3.06 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.87 4.49 0.00 2.04 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 0.00 2.51 2.62 0.00 46 C 8.82 4.59 0.00 2.99 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 47 R 8.44 4.63 0.00 1.74 1.86 0.00 3.32 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 48 P 0.00 4.41 0.00 2.06 2.04 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 49 G 9.90 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 0.00 0.00 0.00 0.00 50 N 7.91 5.48 0.00 2.79 2.66 0.00 0.00 6.64 7.29 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 51 G 8.75 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 0.00 0.00 0.00 0.00 52 M 8.34 4.67 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 53 V 8.98 4.16 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 0.80 0.00 0.00 0.89 0.00 0.00 54 S 7.55 4.69 0.00 3.89 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 55 R 8.61 4.61 0.00 1.73 2.02 0.00 3.07 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 56 C 9.22 4.71 0.00 3.11 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 57 S 8.78 4.49 0.00 3.96 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 58 R 8.76 3.94 0.00 1.79 2.01 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 59 S 7.95 4.77 0.00 3.84 3.78 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 60 Q 7.71 4.61 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 61 N 8.49 4.99 0.00 2.62 2.76 0.00 0.00 6.98 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 62 T 8.52 4.18 4.32 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 1.45 0.00 0.00 63 V 9.14 4.30 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 0.78 0.00 0.00 0.99 0.00 0.00 64 C 8.80 5.48 0.00 2.87 2.96 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 65 R 8.84 4.83 0.00 1.60 1.72 0.00 3.28 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 66 P 0.00 4.77 0.00 1.93 2.00 0.00 3.67 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 2.03 2.13 0.00 67 C 8.77 4.36 0.00 2.94 3.24 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 68 G 8.59 3.89 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 0.00 69 P 0.00 4.40 0.00 2.11 2.05 0.00 3.76 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 2.07 2.13 0.00 70 G 9.30 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 71 F 7.97 5.51 0.00 3.01 2.92 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 72 Y 8.98 5.10 0.00 3.19 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 73 N 9.90 4.91 0.00 2.67 2.63 0.00 0.00 7.29 8.18 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 74 D 8.98 5.24 0.00 2.92 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 75 V 7.38 4.63 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 0.74 0.00 0.00 0.96 0.00 0.00 76 V 8.33 4.13 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 0.90 0.00 0.00 0.95 0.00 0.00 77 S 8.96 4.65 0.00 3.87 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 78 S 8.41 4.78 0.00 3.60 3.65 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 0.00 0.00 0.00 0.00 79 K 7.73 4.71 0.00 1.58 1.60 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.32 7.81 80 P 0.00 4.52 0.00 1.98 1.91 0.00 3.63 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 1.98 2.06 0.00 81 C 8.34 4.52 0.00 2.81 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 82 K 8.49 4.84 0.00 1.09 1.58 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.17 7.81 83 P 0.00 4.10 0.00 1.81 1.58 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 84 C 8.29 4.54 0.00 2.47 2.59 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 85 T 8.64 4.14 4.16 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 1.24 0.00 0.00 86 W 8.42 4.70 0.00 3.22 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 87 C 8.69 4.55 0.00 3.03 3.05 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 88 N 8.52 4.63 0.00 2.82 2.89 0.00 0.00 7.05 6.17 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 89 L 8.13 4.44 0.00 1.76 1.72 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.95 4.02 0.00 1.79 1.98 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 91 S 7.89 4.21 0.00 4.18 4.14 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 92 G 7.67 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 S 8.05 4.71 0.00 3.99 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 94 E 9.26 4.79 0.00 1.87 1.77 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 2.23 2.40 0.00 95 R 8.68 4.39 0.00 1.84 1.86 0.00 3.17 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 96 K 9.03 4.26 0.00 1.79 1.92 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.37 7.81 97 Q 7.67 4.65 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 98 L 8.55 4.35 0.00 1.53 1.54 0.90 0.89 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 99 C 8.44 4.24 0.00 2.78 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 0.00 100 T 8.31 4.66 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 1.29 0.00 0.00 101 A 8.61 4.21 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 0.00 102 T 7.84 4.69 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 0.00 103 Q 7.64 4.65 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 104 D 8.13 3.95 0.00 1.68 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 0.00 0.00 0.00 105 T 8.03 3.89 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 1.12 0.00 0.00 106 V 8.37 4.18 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 1.01 0.00 0.00 0.92 0.00 0.00 107 C 8.71 5.47 0.00 2.88 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 0.00 108 R 8.74 4.92 0.00 1.68 1.75 0.00 3.36 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 109 C 8.85 4.92 0.00 2.88 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 0.00 110 R 8.57 4.69 0.00 1.94 2.22 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 111 A 8.39 4.13 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 0.00 112 G 9.86 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 0.00 0.00 0.00 113 T 7.37 5.24 4.35 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 1.23 0.00 0.00 114 Q 9.20 4.57 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 115 P 0.00 4.61 0.00 1.96 2.05 0.00 3.69 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 1.97 2.34 0.00 116 L 8.45 4.25 0.00 1.66 1.64 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.63 4.71 0.00 2.69 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 0.00 118 S 8.48 4.47 0.00 3.73 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 0.00 119 Y 8.02 4.21 0.00 3.02 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 0.00 120 K 7.72 4.66 0.00 1.90 1.96 0.00 1.54 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 121 P 0.00 4.47 0.00 2.18 2.08 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 122 G 8.86 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 0.00 0.00 0.00 0.00 123 V 7.87 3.78 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 1.00 0.00 0.00 0.94 0.00 0.00 124 D 7.94 5.25 0.00 2.63 2.57 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 0.00 0.00 0.00 0.00 125 C 8.80 5.56 0.00 3.02 2.97 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 0.00 0.00 0.00 126 A 8.95 4.86 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 0.00 127 P 0.00 4.80 0.00 1.95 2.01 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 128 C 8.29 4.33 0.00 2.92 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 0.00 129 P 0.00 4.44 0.00 2.15 1.94 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 130 P 0.00 3.95 0.00 1.90 1.92 0.00 3.63 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 1.97 2.04 0.00 131 G 8.16 2.35 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 0.00 132 H 6.76 5.35 0.00 2.96 2.99 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.77 5.55 0.00 3.43 3.67 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 0.00 134 S 9.15 4.67 0.00 3.77 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 0.00 135 P 0.00 4.51 0.00 2.15 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 136 G 7.63 3.73 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 0.00 0.00 0.00 137 D 8.92 4.58 0.00 2.78 2.72 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 0.00 0.00 0.00 138 N 8.27 4.39 0.00 2.96 2.92 0.00 0.00 7.01 7.44 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 0.00 139 Q 7.68 4.10 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 140 A 8.18 4.15 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 0.00 141 C 8.34 4.43 0.00 2.68 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 0.00 142 K 7.94 4.54 0.00 1.27 1.60 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.25 7.81 143 P 0.00 4.81 0.00 2.03 2.06 0.00 3.69 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 2.07 2.22 0.00 144 W 8.54 4.88 0.00 3.37 2.99 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 0.00 145 T 8.73 3.91 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 1.24 0.00 0.00 146 N 8.71 4.67 0.00 2.75 2.80 0.00 0.00 7.26 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 0.00 147 C 8.65 4.29 0.00 3.01 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 0.00 148 T 7.35 4.54 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 0.00 149 L 7.45 4.44 0.00 1.57 1.66 0.94 1.14 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 0.00 150 A 7.24 3.83 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 *154 T 7.48 4.18 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 1.12 0.00 0.00 155 L 8.60 4.12 0.00 1.61 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.62 4.68 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 157 P 0.00 4.60 0.00 1.86 1.91 0.00 3.66 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 1.86 1.88 0.00 158 A 7.69 3.91 -0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.38 4.64 0.00 3.98 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 0.00 160 N 9.08 4.88 0.00 3.09 3.28 0.00 0.00 5.63 7.64 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 0.00 161 S 7.69 4.92 0.00 4.11 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 0.00 162 S 7.64 4.67 0.00 3.83 3.94 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 0.00 163 D 7.81 4.19 0.00 1.58 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 0.00 0.00 0.00 0.00 164 A 8.02 4.17 1.06 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 0.00 0.00 165 I 8.28 4.43 1.80 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 1.15 0.71 0.87 0.00 0.00 166 C 8.45 4.35 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.