NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4819 8.3049 120.3305 55.4745 33.3209 174.4032 2 M 4.5399 8.5718 123.2387 52.8490 34.7396 170.0020 3 V 4.3647 8.2839 121.7372 60.8416 34.2510 174.2347 4 W 4.6539 8.9580 135.0000 57.5865 31.1226 175.3187 5 T 4.1715 8.3583 123.9175 61.4534 66.9883 172.7117 6 P 4.4737 0.0000 0.0000 63.6188 32.2552 175.9796 7 V 4.1773 7.1026 118.5273 61.1054 33.1596 175.1036 8 N 4.6473 8.4335 122.8546 52.6291 37.9787 174.8355 9 N 4.9946 8.1404 125.2783 52.6676 39.7364 174.7308 10 K 3.8939 8.0538 115.6195 56.4528 32.8263 176.4070 11 M 4.8850 7.9377 120.6533 53.7984 35.5034 175.1563 12 F 4.9897 8.5355 117.0249 57.3224 41.1523 176.5661 13 E 3.5142 8.4126 121.8513 57.1515 27.8021 175.2957 14 T 3.8332 8.3244 121.9237 66.4372 68.9185 174.3029 15 F 4.5723 9.0651 124.0529 57.6568 36.7313 176.1748 16 S 4.5767 8.1962 114.3809 59.9557 63.0424 174.3432 17 Y 4.4343 8.2618 117.7094 58.1711 38.2064 175.2028 18 L 4.6552 7.6964 120.7074 52.1110 43.4434 174.5409 19 P 4.4248 0.0000 0.0000 62.1044 31.6399 174.6306 20 P 4.3579 0.0000 0.0000 62.7131 31.8264 176.3105 21 L 4.0502 8.3473 122.5077 54.6272 42.2085 177.9883 22 T 4.2184 8.2252 114.1351 61.2592 71.1069 175.2520 23 D 4.3417 8.5220 120.8431 57.5196 40.7622 178.7048 24 E 3.9680 8.1108 119.3877 59.2371 29.6866 178.8152 25 Q 3.8916 7.9461 118.1020 58.8547 28.7936 178.4722 26 I 3.6957 7.9584 120.7688 64.4823 37.1603 178.2776 27 A 4.0461 8.1901 121.2321 55.1894 18.1701 179.5696 28 A 3.9770 7.9852 119.3081 55.3348 18.3994 179.9198 29 Q 4.0856 8.1384 116.7229 59.0357 28.8089 179.0905 30 V 3.7103 8.1493 119.3148 66.2338 31.6428 177.5545 31 D 4.4404 8.3346 118.7010 57.7092 40.5555 178.3167 32 Y 4.2294 8.1251 119.6872 60.8576 38.9361 178.2568 33 I 3.7713 7.9113 120.5732 64.5738 37.3343 178.6669 34 V 3.5462 7.9074 118.6777 65.9198 31.1710 177.9260 35 A 3.9686 8.3432 119.5976 54.3164 18.2478 178.2612 36 N 4.1317 7.0063 112.4391 52.1190 38.8477 175.8808 37 G 3.7785 7.2069 107.9142 45.6879 0.0000 173.9172 38 W 4.9208 7.3740 118.5207 56.1828 30.6380 176.1286 39 I 4.4639 8.9872 123.5003 59.4348 37.8187 173.9854 40 P 4.9065 0.0000 0.0000 63.1681 32.8823 174.8263 41 C 5.0310 8.8546 120.3018 58.4837 35.5923 172.3540 42 L 5.3418 8.7494 123.5525 53.1743 44.4760 175.1930 43 E 5.6466 9.1497 121.1390 54.8123 33.9186 174.7803 44 F 5.6050 9.4991 116.4769 55.3675 42.2649 173.1339 45 A 4.5170 8.8428 121.7772 50.3344 21.5139 176.7555 46 T 4.5194 8.5773 111.0278 61.5516 71.0099 174.4738 47 D 4.8281 7.0592 120.9114 54.7343 41.1542 178.7335 48 H 4.2994 8.9397 128.2905 56.8671 28.4507 174.8029 49 G 2.9356 8.2388 112.8128 45.0685 0.0000 172.7198 50 F 5.1193 7.3926 116.9656 54.8385 42.7312 174.8491 51 V 4.2014 8.4245 122.7855 63.9098 32.3330 174.4127 52 Y 4.9327 8.6378 123.6833 56.6471 42.0095 173.4557 53 R 4.8166 8.7340 117.3342 55.3334 32.2801 174.5485 54 E 4.4384 9.7823 124.8496 57.9100 30.7585 176.8910 55 H 4.6959 8.2602 112.2573 56.7046 29.6539 174.3034 56 H 4.3716 7.4370 115.9130 55.5761 31.9567 172.7201 57 N 4.8837 7.9589 119.1483 52.5776 40.3209 175.0604 58 S 4.3568 7.5102 113.6859 56.6339 64.1545 171.7126 59 P 4.2571 0.0000 0.0000 64.4068 31.2922 177.1535 60 G 3.9178 8.7519 109.9421 45.7813 0.0000 172.0869 61 Y 4.3652 7.3152 120.6608 55.7451 40.0790 174.6067 62 Y 4.5953 7.0170 123.2410 56.4712 42.2790 174.5996 63 D 4.1981 8.4314 124.1126 54.8647 41.5547 177.6210 64 G 4.2930 8.6287 109.5585 45.5541 0.0000 174.9040 65 R 3.8836 7.5923 118.6156 58.9833 30.3369 176.9153 66 Y 4.4423 7.6862 114.8265 57.4793 38.5590 174.8066 67 W 5.0397 8.5805 123.7514 55.0976 32.6693 175.1560 68 T 4.0963 8.1550 117.6979 63.3035 68.9277 174.5376 69 M 4.5750 8.5504 126.5636 55.2057 33.2917 175.2134 70 W 4.8679 9.5046 135.0000 56.0735 31.3664 176.9094 71 K 3.4603 8.6394 128.9166 57.5190 30.5993 178.2386 72 L 4.9459 8.2884 124.8025 52.7122 45.2686 173.9844 73 P 4.3554 0.0000 0.0000 63.3567 32.0035 177.7068 74 M 4.3258 8.5773 123.6883 53.7484 30.3855 175.4733 75 F 4.3330 7.4225 118.7751 58.7913 40.0104 176.5480 76 G 4.0374 9.1249 112.9553 45.6072 0.0000 173.1387 77 C 4.3132 7.7043 120.7982 59.5892 31.8214 173.1493 78 R 4.5243 8.6382 124.2242 55.6321 31.0202 174.6804 79 D 4.8022 7.8418 119.1170 51.5153 41.8930 174.4028 80 P 4.3155 0.0000 0.0000 66.4401 30.8115 178.1194 81 M 4.0687 8.2717 118.1693 58.1816 31.8700 178.2853 82 Q 3.9715 8.0367 119.5807 59.1978 29.2056 178.6469 83 V 3.5856 7.7704 118.5023 66.1814 31.5695 177.5910 84 L 4.0297 7.9961 118.6063 58.1860 41.4341 179.9327 85 R 3.9821 8.3749 118.0283 59.2587 29.8978 178.9912 86 E 4.1317 8.3744 118.5538 59.2261 29.4138 179.3168 87 I 3.5541 7.8069 120.0746 64.3480 37.1990 178.5984 88 V 3.4867 7.5520 118.7093 65.8079 31.3722 177.9359 89 A 3.9333 8.0651 120.5515 55.1913 18.2946 179.0468 90 C 2.0000 7.5999 117.6739 62.1623 31.3202 176.0583 91 T 3.7508 7.5866 110.9586 64.2396 67.9820 176.3911 92 K 3.8220 7.6407 122.0219 59.2791 32.3109 178.3842 93 A 3.9570 7.6105 120.0860 53.4157 20.0008 177.6392 94 F 4.7256 7.7102 115.5715 55.0983 39.0381 174.0191 95 P 4.6484 0.0000 0.0000 64.0760 31.8568 177.7666 96 D 4.6298 7.9973 116.8865 53.9467 41.4306 175.6531 97 A 4.5876 7.4989 121.1747 50.6744 20.8203 177.1546 98 Y 4.2590 8.2099 117.8186 57.9919 39.1736 175.4116 99 V 5.2422 9.2159 123.9639 61.1352 35.3213 174.3451 100 R 5.0389 9.4240 123.1455 54.3877 33.3250 173.4467 101 L 4.8798 8.0259 123.5344 53.8137 43.9734 175.6445 102 V 4.8316 8.6514 118.2421 59.5162 36.4018 174.1596 103 A 4.9444 8.1333 121.8833 50.4266 22.8555 175.1989 104 F 5.2164 9.1258 119.2926 55.6979 42.6779 174.0031 105 D 5.3785 8.6785 122.1756 52.7378 42.4262 176.6487 106 N 4.7055 9.1336 122.9882 54.3469 38.4538 176.6004 107 Q 4.1391 8.5102 118.4812 59.1884 28.8493 177.7454 108 K 4.0545 8.2418 114.2260 56.9594 32.8189 176.8310 109 Q 3.3639 7.9375 116.9026 55.7341 26.9558 172.5188 110 V 4.4363 7.7843 117.1180 59.9445 34.9017 173.8506 111 Q 4.4141 8.7862 123.5468 56.5531 29.2884 175.5390 112 I 4.2253 7.6857 124.4545 60.9971 39.7416 174.3905 113 M 4.4506 6.7087 117.0239 54.9300 34.0743 173.7245 114 G 4.7858 8.3876 105.6707 47.1534 0.0000 172.4588 115 F 5.0261 7.0899 115.5699 55.2546 41.0760 172.8700 116 L 4.6304 8.8661 123.0646 55.6052 42.0936 176.7760 117 V 4.5365 8.8852 118.2346 61.6266 34.0445 175.7681 118 Q 4.6758 7.8641 121.2037 54.6629 32.2952 173.1948 119 R 4.6543 8.2789 121.7364 53.2150 32.5719 173.5632 120 P 4.1545 0.0000 0.0000 62.6911 32.3013 176.8651 121 K 4.0700 7.6403 122.5716 55.2613 31.3719 176.5638 *127 Q 4.0371 8.2731 122.2409 54.6297 30.1850 173.7381 128 P 4.1445 0.0000 0.0000 62.3779 32.0321 176.9786 129 A 4.1072 8.6982 124.4244 54.4227 18.3115 177.9310 130 N 4.8937 7.9642 110.0655 52.7436 39.0132 175.1975 131 K 4.3555 7.7341 117.5615 56.6930 32.1721 177.6720 132 R 3.8105 7.5702 119.9572 57.4404 30.9142 176.1698 133 S 5.2544 7.7118 112.1857 56.4856 66.3576 174.5945 134 V 4.1007 8.4826 113.7068 61.8017 32.1956 175.1727 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 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.54 0.00 2.02 2.06 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 2.57 2.64 0.00 3 V 8.28 4.36 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.96 4.65 0.00 3.46 3.04 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 5 T 8.36 4.17 4.08 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 0.97 0.00 0.00 6 P 0.00 4.47 0.00 2.22 2.18 0.00 3.76 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 1.95 1.95 0.00 7 V 7.10 4.18 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 0.78 0.00 0.00 0.90 0.00 0.00 8 N 8.43 4.65 0.00 2.75 2.78 0.00 0.00 6.65 8.00 0.00 0.00 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 N 8.14 4.99 0.00 2.65 2.64 0.00 0.00 7.26 6.68 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 10 K 8.05 3.89 0.00 1.77 1.18 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.38 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.18 1.14 7.81 11 M 7.94 4.88 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 12 F 8.54 4.99 0.00 3.14 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 13 E 8.41 3.51 0.00 2.15 1.74 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 2.27 2.17 0.00 14 T 8.32 3.83 4.08 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 0.14 0.00 0.00 15 F 9.07 4.57 0.00 3.32 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 16 S 8.20 4.58 0.00 4.18 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 17 Y 8.26 4.43 0.00 3.01 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 18 L 7.70 4.66 0.00 1.86 1.61 0.81 1.09 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 19 P 0.00 4.42 0.00 2.17 2.07 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 1.97 2.00 0.00 20 P 0.00 4.36 0.00 2.08 2.07 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 2.05 2.15 0.00 21 L 8.35 4.05 0.00 1.64 1.54 0.44 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.23 4.22 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 1.19 0.00 0.00 23 D 8.52 4.34 0.00 2.71 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 24 E 8.11 3.97 0.00 2.02 1.92 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 2.35 2.39 0.00 25 Q 7.95 3.89 0.00 2.31 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 7.96 3.70 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.10 0.00 0.00 27 A 8.19 4.05 1.42 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 0.00 0.00 28 A 7.99 3.98 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 29 Q 8.14 4.09 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.91 0.00 30 V 8.15 3.71 2.31 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 1.15 0.00 0.00 1.09 0.00 0.00 31 D 8.33 4.44 0.00 2.97 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 32 Y 8.13 4.23 0.00 3.19 3.37 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 33 I 7.91 3.77 2.17 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 1.71 1.29 1.05 0.00 0.00 34 V 7.91 3.55 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 1.02 0.00 0.00 0.96 0.00 0.00 35 A 8.34 3.97 1.23 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 0.00 0.00 0.00 36 N 7.01 4.13 0.00 1.44 1.42 0.00 0.00 7.03 8.97 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 37 G 7.21 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 0.00 0.00 0.00 38 W 7.37 4.92 0.00 3.36 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 39 I 8.99 4.46 2.09 0.00 0.00 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 1.49 0.80 0.71 0.00 0.00 40 P 0.00 4.91 0.00 2.14 2.21 0.00 3.91 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 8.85 5.03 0.00 3.11 2.76 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 42 L 8.75 5.34 0.00 1.85 1.61 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.15 5.65 0.00 2.08 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 2.31 0.00 44 F 9.50 5.61 0.00 3.02 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 45 A 8.84 4.52 -0.33 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 46 T 8.58 4.52 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 1.25 0.00 0.00 47 D 7.06 4.83 0.00 2.58 1.58 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 48 H 8.94 4.30 0.00 3.10 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.24 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 0.00 0.00 0.00 50 F 7.39 5.12 0.00 3.12 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 51 V 8.42 4.20 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 0.66 0.00 0.00 0.80 0.00 0.00 52 Y 8.64 4.93 0.00 3.08 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 53 R 8.73 4.82 0.00 1.74 1.93 0.00 3.26 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 54 E 9.78 4.44 0.00 2.18 1.89 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 2.01 2.26 0.00 55 H 8.26 4.70 0.00 3.26 3.36 0.00 5.98 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.44 4.37 0.00 2.33 1.57 0.00 5.67 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 57 N 7.96 4.88 0.00 2.55 2.67 0.00 0.00 6.99 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 58 S 7.51 4.36 0.00 3.98 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 59 P 0.00 4.26 0.00 2.05 2.04 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 60 G 8.75 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 61 Y 7.32 4.37 0.00 2.95 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 62 Y 7.02 4.60 0.00 2.74 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 63 D 8.43 4.20 0.00 1.58 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 0.00 0.00 0.00 64 G 8.63 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 0.00 0.00 0.00 0.00 65 R 7.59 3.88 0.00 1.45 1.64 0.00 3.02 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 66 Y 7.69 4.44 0.00 3.04 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 67 W 8.58 5.04 0.00 3.12 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 68 T 8.16 4.10 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 0.93 0.00 0.00 69 M 8.55 4.58 0.00 2.09 2.04 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 2.72 2.80 0.00 70 W 9.50 4.87 0.00 3.74 3.35 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 71 K 8.64 3.46 0.00 1.65 0.74 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.80 0.21 7.81 72 L 8.29 4.95 0.00 1.61 1.61 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.36 0.00 0.73 1.82 0.00 3.71 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 1.98 2.15 0.00 74 M 8.58 4.33 0.00 2.07 2.01 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 2.75 2.54 0.00 75 F 7.42 4.33 0.00 3.12 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 76 G 9.12 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 77 C 7.70 4.31 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 78 R 8.64 4.52 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 79 D 7.84 4.80 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 80 P 0.00 4.32 0.00 2.33 2.35 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 81 M 8.27 4.07 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 82 Q 8.04 3.97 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 83 V 7.77 3.59 2.27 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 1.06 0.00 0.00 1.02 0.00 0.00 84 L 8.00 4.03 0.00 1.93 1.74 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.37 3.98 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 86 E 8.37 4.13 0.00 2.24 2.18 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 2.59 2.66 0.00 87 I 7.81 3.55 2.03 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 1.37 0.81 0.87 0.00 0.00 88 V 7.55 3.49 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 0.98 0.00 0.00 0.96 0.00 0.00 89 A 8.07 3.93 1.54 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 90 C 7.60 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 91 T 7.59 3.75 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 1.15 0.00 0.00 92 K 7.64 3.82 0.00 1.86 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 93 A 7.61 3.96 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 94 F 7.71 4.73 0.00 2.80 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 95 P 0.00 4.65 0.00 2.11 2.10 0.00 3.25 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 96 D 8.00 4.63 0.00 2.65 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 97 A 7.50 4.59 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 98 Y 8.21 4.26 0.00 2.17 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 99 V 9.22 5.24 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 1.00 0.00 0.00 0.89 0.00 0.00 100 R 9.42 5.04 0.00 1.88 2.03 0.00 2.32 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 101 L 8.03 4.88 0.00 1.53 0.78 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.65 4.83 1.59 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 0.48 0.00 0.00 0.61 0.00 0.00 103 A 8.13 4.94 1.21 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 0.00 0.00 104 F 9.13 5.22 0.00 2.98 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 0.00 105 D 8.68 5.38 0.00 2.34 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 0.00 106 N 9.13 4.71 0.00 2.93 3.05 0.00 0.00 6.31 7.39 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 0.00 107 Q 8.51 4.14 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.24 4.05 0.00 1.75 1.86 0.00 1.94 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 109 Q 7.94 3.36 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 110 V 7.78 4.44 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 0.51 0.00 0.00 0.90 0.00 0.00 111 Q 8.79 4.41 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 112 I 7.69 4.23 1.22 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 -0.62 0.00 0.00 113 M 6.71 4.45 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 114 G 8.39 4.79 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 0.00 0.00 0.00 0.00 115 F 7.09 5.03 0.00 3.25 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 0.00 116 L 8.87 4.63 0.00 1.76 1.70 1.08 0.28 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 0.00 117 V 8.89 4.54 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 0.76 0.00 0.00 0.94 0.00 0.00 118 Q 7.86 4.68 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 119 R 8.28 4.65 0.00 1.57 1.66 0.00 3.16 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 120 P 0.00 4.15 0.00 1.70 1.89 0.00 2.65 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.53 0.00 121 K 7.64 4.07 0.00 1.72 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 *127 Q 8.27 4.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.14 0.00 128 P 0.00 4.14 0.00 2.13 2.00 0.00 3.58 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 2.10 2.12 0.00 129 A 8.70 4.11 1.31 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 0.00 0.00 0.00 130 N 7.96 4.89 0.00 2.80 2.91 0.00 0.00 6.04 7.13 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 0.00 131 K 7.73 4.36 0.00 1.73 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 132 R 7.57 3.81 0.00 1.20 0.66 0.00 2.89 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 133 S 7.71 5.25 0.00 3.89 3.97 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 0.00 134 V 8.48 4.10 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 0.58 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.