NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1380 8.2649 123.5675 51.8801 20.1299 175.8491 3 R 4.5052 7.7875 120.2797 54.0073 33.7581 172.9757 4 Y 5.4346 8.5483 118.7426 56.2108 42.7668 174.1046 5 I 5.2567 9.1088 115.3867 59.4036 41.1686 174.0273 6 N 5.3627 9.2766 121.7896 52.2733 40.8469 174.1819 7 I 4.6486 8.8200 123.2124 59.8177 40.7570 174.6270 8 T 4.9281 8.6702 123.6867 61.6277 72.7320 173.1295 9 L 4.7793 8.7486 126.7556 53.6285 42.3298 177.6504 10 E 3.8801 8.8844 125.1833 59.3459 29.8218 178.9500 11 K 4.0583 8.9475 119.0426 59.5757 32.2970 178.5170 12 R 3.9313 8.2006 116.1856 57.0895 30.2077 176.6772 13 G 3.7708 7.9872 105.5170 46.8917 0.0000 173.6119 14 V 4.4524 7.5668 118.1331 60.9880 34.4405 174.4299 15 T 5.2590 8.5323 123.3159 61.8921 72.2466 172.5568 16 C 5.0529 9.0882 118.7351 56.3608 33.9795 172.3253 17 K 5.2168 8.9873 119.7486 54.5864 34.9555 174.5279 18 A 5.3167 9.2199 127.9683 49.8647 22.8426 174.8744 19 L 4.1409 8.8575 124.1845 54.6908 43.3646 175.6771 20 L 4.6197 8.5286 129.6525 54.0973 42.8065 177.7492 21 L 4.4096 8.5964 129.6798 53.5327 40.3863 177.4821 22 D 4.3982 7.7516 119.6444 57.2761 41.7563 178.7310 23 D 4.4134 8.1777 117.7643 56.1075 39.5846 177.5841 24 V 4.1058 7.6643 109.7947 60.7643 33.4230 175.5533 25 A 4.9107 8.2380 123.1190 49.5696 19.0467 175.1673 26 P 4.2796 0.0000 0.0000 65.7403 31.8871 178.9262 27 R 3.8847 8.5507 117.9837 59.1232 29.9775 179.1749 28 T 3.4226 8.5024 115.9605 66.4388 68.3389 176.8833 29 S 4.2107 8.2681 117.4331 61.5639 62.8460 176.7745 30 K 3.9720 8.1297 121.8437 59.4277 31.7491 178.4891 31 A 4.0741 7.7717 119.7550 55.3268 18.5703 179.6095 32 V 3.5940 7.9500 116.5436 65.8087 31.7199 177.6727 33 W 4.2054 8.5988 128.4984 61.0164 30.2884 177.6577 34 D 4.4861 8.4420 116.8355 56.8462 40.3381 177.8060 35 A 4.2961 7.4982 118.6433 51.4900 19.6512 177.3620 36 L 4.1159 6.7373 117.4616 53.7595 42.3122 175.5463 37 P 4.7617 0.0000 0.0000 62.7669 32.9044 175.3344 38 Q 4.6611 8.8446 119.7713 54.2606 32.1139 174.5561 39 S 5.1640 8.5355 117.6746 57.0997 65.6970 172.5369 40 S 4.5648 9.0870 119.5577 56.9372 66.6027 173.1617 41 Q 4.1908 8.6923 123.0268 56.4381 28.7942 177.1548 42 V 4.1000 7.8292 125.7207 61.3840 32.9512 175.5172 43 F 4.8544 8.4638 119.7143 56.0565 43.3420 173.2083 44 H 4.9866 8.9674 122.0644 54.8022 30.9365 175.1111 45 G 3.9441 8.7520 112.9470 46.2347 0.0000 173.4688 46 K 4.6613 8.7333 120.9533 56.2357 33.8128 176.8659 47 Y 4.6068 7.4407 115.3362 57.7228 39.8535 176.7386 48 A 4.6072 7.2455 119.3682 51.0269 20.6712 178.7693 49 R 3.7799 7.9572 119.8394 57.4667 29.4844 178.4560 50 N 4.1422 5.9704 114.2417 51.6279 37.0689 174.1922 51 E 4.8836 7.6038 120.7879 54.1191 34.0880 174.5579 52 I 5.0307 8.5194 119.1768 59.7025 41.4907 173.4982 53 Y 5.5107 8.5415 120.0399 56.4957 41.8824 172.5448 54 N 5.8400 9.5682 117.2405 51.1594 41.5002 172.9540 55 L 5.4309 8.7155 117.8177 53.2429 44.6685 176.7496 56 V 4.7093 8.9897 116.4292 58.5964 36.2331 173.5271 57 P 4.7128 0.0000 0.0000 62.2971 31.9970 176.2524 58 A 3.8481 8.2777 124.6935 52.7675 18.1959 177.6290 59 F 4.7754 7.7495 113.8712 56.8164 40.1831 175.8091 60 A 4.4434 7.4821 123.0062 50.8491 19.0661 175.4597 61 P 4.4553 0.0000 0.0000 64.9954 31.6900 177.3338 62 K 4.6453 7.5057 114.4710 54.7429 34.4318 175.7086 63 E 4.0895 8.5777 120.8281 55.8552 29.9852 176.4831 64 P 4.0564 0.0000 0.0000 63.4748 31.7767 177.6357 65 G 3.7748 7.2391 108.3972 43.9615 0.0000 172.6963 66 A 4.0982 8.1622 120.8793 51.6955 18.8046 177.0610 67 E 4.3912 8.9907 121.6359 56.3648 32.9647 174.5544 68 N 4.0512 8.8081 125.8176 54.6405 37.5584 173.6726 69 T 4.6943 7.5919 105.2911 61.5806 70.4390 173.6341 70 T 4.6051 8.5605 116.1456 60.7611 70.7281 174.5793 71 V 4.5735 8.2554 117.8805 61.4054 33.1414 175.4983 72 T 5.3274 7.6969 109.3238 59.5414 66.9088 172.3943 73 P 4.4744 0.0000 0.0000 63.4368 32.7036 177.3285 74 I 4.5898 8.7706 115.2335 57.9913 41.1811 173.0934 75 P 4.6250 0.0000 0.0000 64.6887 31.6292 177.1526 76 G 4.0719 9.5747 111.9307 45.0445 0.0000 172.9883 77 D 4.8130 8.2149 120.6199 54.3033 42.2756 175.4640 78 V 4.9455 8.6373 122.4509 61.3914 34.0812 174.1281 79 C 5.6693 9.6370 125.2122 58.1590 32.3665 172.1735 80 Y 5.2060 8.8583 122.0094 55.9402 41.4883 174.2701 81 F 5.0276 9.0347 124.5867 55.9188 42.8087 174.0200 82 T 4.7134 8.3605 119.5689 62.4420 69.7619 174.0042 83 F 5.4148 9.4752 124.5032 56.0649 44.2275 173.6892 84 T 4.9522 9.2424 110.2700 59.8480 71.4774 175.6871 85 S 4.1045 8.5203 117.5529 62.0975 63.0351 177.4091 86 N 4.3429 7.7797 116.0188 56.3492 38.5560 176.2942 87 D 4.4768 8.0409 117.0623 56.8872 41.0484 177.3036 88 L 4.0112 7.7514 118.9192 56.5541 43.0900 178.2550 89 K 4.4439 7.9182 121.7156 53.2597 30.2464 178.2063 90 T 4.8505 7.3916 113.7177 58.6590 72.2897 174.2734 91 P 4.2117 0.0000 0.0000 65.8970 31.4472 178.9562 92 S 4.1046 8.0540 110.7395 61.3257 62.6421 174.9992 93 H 4.2666 8.2973 117.4225 55.8180 29.3301 175.9830 94 G 4.2395 7.5432 104.9715 46.3877 0.0000 174.7231 95 Y 3.9871 7.7008 120.6015 59.9256 36.7427 179.7518 *104 V 3.9957 8.5476 119.7641 60.9706 33.5149 176.5571 105 Q 4.8768 8.2685 123.3390 54.2199 32.7668 175.5159 106 T 4.8135 8.3156 116.8330 62.9573 70.3854 173.8175 107 I 4.9780 9.0967 126.6887 59.4366 41.0678 174.4569 108 V 4.5249 8.6903 125.9894 61.1082 34.0289 173.6627 109 D 5.4087 8.8569 127.7879 52.9549 43.0133 174.6885 110 L 5.3583 8.8350 126.4246 53.1366 43.9314 175.4524 111 A 5.4269 9.5639 125.9499 50.1136 22.6875 174.5986 112 V 4.8704 9.0619 121.6291 61.1602 34.5641 174.2464 113 F 5.1445 9.2682 127.1898 56.3494 40.1759 175.7244 114 Y 4.7970 8.8279 122.1123 57.1756 39.2699 175.3193 115 G 3.9829 7.4799 107.3532 44.3741 0.0000 170.5040 116 R 4.5050 8.1101 115.2843 54.6881 32.3425 174.5154 117 N 4.1624 8.4951 111.3130 54.9563 35.4921 174.0048 118 N 5.1667 7.8680 113.3467 51.4994 41.6251 175.8895 119 L 4.9775 8.3364 121.0088 53.1340 45.4813 176.3368 120 L 4.9803 9.0562 125.8114 53.3257 40.4999 174.3189 121 L 5.0076 7.9793 121.8088 53.4346 45.6008 173.9971 122 N 4.6643 8.9667 123.0273 50.9433 41.1894 175.0700 123 G 3.7457 8.3445 106.0397 46.2636 0.0000 174.7534 124 D 4.4287 8.2126 120.7322 56.8096 40.9577 177.5739 125 T 4.5885 7.8770 103.2910 60.4141 71.5123 173.9304 126 G 3.8520 7.7048 108.9572 43.8264 0.0000 175.2461 127 W 4.7631 8.5142 124.4925 56.6502 29.4934 175.7287 128 V 4.6124 8.9324 124.5089 60.0118 30.7276 172.5278 129 P 4.7453 0.0000 0.0000 62.2113 32.3996 175.5529 130 G 3.4397 8.8182 110.5030 44.0741 0.0000 172.2610 131 N 5.0520 8.4158 120.8406 51.9419 39.7200 174.6976 132 V 4.3906 8.4029 125.9543 62.3706 31.6415 175.4403 133 F 5.1005 9.1894 122.6008 56.6116 39.9020 174.5764 134 A 5.0025 7.1351 120.1030 51.0839 22.9692 174.8000 135 T 5.0136 8.6410 113.6890 60.0834 70.6835 173.2449 136 I 4.3612 8.8533 130.9793 61.8666 37.0874 176.3271 137 V 4.4738 9.0128 119.7047 61.3268 33.8222 175.8928 138 E 4.4716 7.9255 119.9436 55.4401 33.8565 175.9969 139 G 4.4170 9.0221 111.3388 45.8629 0.0000 175.1714 140 L 4.0479 8.0961 122.8855 57.9833 42.6453 177.9638 141 D 4.5771 8.3437 118.0312 57.7325 41.1276 179.3647 142 E 3.9502 7.6886 115.6921 56.9337 29.0155 178.7460 *144 A 4.1037 8.1889 123.7356 52.2300 20.7310 179.8272 145 A 3.9853 8.1003 117.2988 55.2827 18.3370 179.7511 146 A 3.9171 8.0323 119.2696 55.4556 18.3619 179.7132 147 C 3.9017 7.6604 114.8059 62.8735 27.8676 176.1234 148 Q 4.1821 7.6880 118.8911 59.0294 28.3560 178.0502 149 D 4.4743 7.8500 118.3046 57.0919 41.5107 178.0544 150 I 4.1943 7.8561 122.1738 63.3181 36.9071 177.6063 151 W 4.4496 8.2014 125.8528 59.1260 30.4545 176.5912 *153 G 3.6596 7.8962 105.3654 45.1533 0.0000 173.6045 154 G 3.8831 8.3235 105.6106 45.4614 0.0000 173.8415 155 A 4.6072 8.1197 118.3761 51.3418 19.7478 176.7169 156 R 4.0692 7.8991 116.1333 58.0469 30.4003 176.0766 157 D 4.3611 8.6948 120.1152 54.9736 38.9675 172.4679 158 E 4.6354 7.9596 120.4710 54.9076 31.8966 174.8575 159 T 4.9261 8.2422 121.7903 61.6175 72.8841 172.2308 160 L 4.9571 8.8524 128.3800 53.8230 44.1032 175.0626 161 T 5.1190 8.8341 123.1532 61.8123 72.0705 172.7867 162 F 5.2803 9.5194 125.9832 56.0152 41.1983 175.2008 163 S 4.9403 9.1102 117.2528 56.4279 66.9271 173.4993 164 R 4.1861 8.3008 120.1811 56.2418 30.4259 175.9678 165 A 4.5266 8.9295 128.6237 51.4427 19.9839 177.9438 166 E 4.2170 8.7865 117.3463 56.1947 29.9341 174.0975 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 2 A 8.26 4.14 1.12 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 0.00 0.00 3 R 7.79 4.51 0.00 1.36 1.08 0.00 2.21 0.00 0.00 2.73 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 4 Y 8.55 5.43 0.00 2.98 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 5 I 9.11 5.26 2.20 0.00 0.00 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 1.58 1.55 1.30 0.00 0.00 6 N 9.28 5.36 0.00 2.64 2.75 0.00 0.00 6.85 7.09 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 7 I 8.82 4.65 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.38 0.00 0.00 8 T 8.67 4.93 4.15 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 1.24 0.00 0.00 9 L 8.75 4.78 0.00 1.51 1.70 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.88 3.88 0.00 1.92 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 2.48 2.35 0.00 11 K 8.95 4.06 0.00 1.77 2.12 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.38 7.81 12 R 8.20 3.93 0.00 1.80 1.94 0.00 3.37 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 13 G 7.99 3.77 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 0.00 0.00 0.00 14 V 7.57 4.45 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 1.11 0.00 0.00 0.95 0.00 0.00 15 T 8.53 5.26 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 1.19 0.00 0.00 16 C 9.09 5.05 0.00 3.18 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 17 K 8.99 5.22 0.00 1.83 1.66 0.00 1.58 0.00 0.00 1.38 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.60 7.81 18 A 9.22 5.32 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 19 L 8.86 4.14 0.00 1.87 1.57 0.45 0.31 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 20 L 8.53 4.62 0.00 1.76 1.51 1.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.60 4.41 0.00 1.80 1.60 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.75 4.40 0.00 2.56 2.65 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 23 D 8.18 4.41 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 4.11 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 0.71 0.00 0.00 0.92 0.00 0.00 25 A 8.24 4.91 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 26 P 0.00 4.28 0.00 2.23 2.41 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 27 R 8.55 3.88 0.00 1.95 1.91 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 28 T 8.50 3.42 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 0.42 0.00 0.00 29 S 8.27 4.21 0.00 4.03 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 0.00 30 K 8.13 3.97 0.00 1.89 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 31 A 7.77 4.07 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 32 V 7.95 3.59 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 0.99 0.00 0.00 0.58 0.00 0.00 33 W 8.60 4.21 0.00 3.54 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 34 D 8.44 4.49 0.00 2.84 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 35 A 7.50 4.30 0.93 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 0.00 0.00 36 L 6.74 4.12 0.00 1.17 1.42 0.80 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.76 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 38 Q 8.84 4.66 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 39 S 8.54 5.16 0.00 3.83 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 40 S 9.09 4.56 0.00 4.01 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 41 Q 8.69 4.19 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 1.88 1.34 0.00 42 V 7.83 4.10 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 0.61 0.00 0.00 0.89 0.00 0.00 43 F 8.46 4.85 0.00 1.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.97 4.99 0.00 3.30 3.35 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.75 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 0.00 0.00 0.00 46 K 8.73 4.66 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 47 Y 7.44 4.61 0.00 3.08 3.11 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 0.00 0.00 0.00 0.00 48 A 7.25 4.61 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 49 R 7.96 3.78 0.00 1.87 1.90 0.00 3.23 0.00 0.00 3.28 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 50 N 5.97 4.14 0.00 2.48 1.62 0.00 0.00 6.68 8.52 0.00 0.00 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 E 7.60 4.88 0.00 1.63 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 1.99 1.47 0.00 52 I 8.52 5.03 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.89 0.00 0.00 53 Y 8.54 5.51 0.00 3.41 3.11 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 0.00 0.00 0.00 0.00 54 N 9.57 5.84 0.00 3.03 3.08 0.00 0.00 7.14 6.26 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 55 L 8.72 5.43 0.00 1.62 1.63 0.39 0.93 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 56 V 8.99 4.71 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 0.88 0.00 0.00 1.24 0.00 0.00 57 P 0.00 4.71 0.00 1.99 2.01 0.00 3.78 0.00 0.00 3.71 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 58 A 8.28 3.85 1.22 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 59 F 7.75 4.78 0.00 3.05 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 60 A 7.48 4.44 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 61 P 0.00 4.46 0.00 2.06 2.15 0.00 3.70 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 2.05 2.11 0.00 62 K 7.51 4.65 0.00 1.78 1.70 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.42 7.81 63 E 8.58 4.09 0.00 1.99 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 2.36 2.22 0.00 64 P 0.00 4.06 0.00 1.90 1.87 0.00 3.76 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 0.00 65 G 7.24 3.77 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 0.00 0.00 0.00 66 A 8.16 4.10 1.22 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 67 E 8.99 4.39 0.00 1.87 1.65 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 2.23 2.22 0.00 68 N 8.81 4.05 0.00 3.10 2.86 0.00 0.00 6.97 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 69 T 7.59 4.69 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 1.24 0.00 0.00 70 T 8.56 4.61 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 1.10 0.00 0.00 71 V 8.26 4.57 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 0.83 0.00 0.00 0.39 0.00 0.00 72 T 7.70 5.33 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 1.20 0.00 0.00 73 P 0.00 4.47 0.00 0.51 1.32 0.00 3.72 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 1.13 0.97 0.00 74 I 8.77 4.59 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.92 0.00 0.00 75 P 0.00 4.63 0.00 2.10 2.11 0.00 3.67 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 2.05 2.19 0.00 76 G 9.57 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 77 D 8.21 4.81 0.00 2.84 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 78 V 8.64 4.95 1.53 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 1.11 0.00 0.00 0.99 0.00 0.00 79 C 9.64 5.67 0.00 3.20 2.53 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 0.00 0.00 0.00 0.00 80 Y 8.86 5.21 0.00 2.88 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 81 F 9.03 5.03 0.00 2.49 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 0.00 0.00 0.00 82 T 8.36 4.71 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 1.19 0.00 0.00 83 F 9.48 5.41 0.00 2.88 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 84 T 9.24 4.95 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 1.26 0.00 0.00 85 S 8.52 4.10 0.00 3.92 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 86 N 7.78 4.34 0.00 2.72 2.89 0.00 0.00 7.11 7.77 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 87 D 8.04 4.48 0.00 2.79 2.46 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 0.00 88 L 7.75 4.01 0.00 1.43 1.41 0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.92 4.44 0.00 1.76 1.63 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.24 7.81 90 T 7.39 4.85 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 1.30 0.00 0.00 91 P 0.00 4.21 0.00 2.18 2.14 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 92 S 8.05 4.10 0.00 3.84 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 93 H 8.30 4.27 0.00 3.46 3.14 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.54 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 95 Y 7.70 3.99 0.00 3.02 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 *104 V 8.55 4.00 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 0.77 0.00 0.00 0.93 0.00 0.00 105 Q 8.27 4.88 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 106 T 8.32 4.81 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 1.23 0.00 0.00 107 I 9.10 4.98 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 1.12 1.01 0.96 0.00 0.00 108 V 8.69 4.52 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 0.24 0.00 0.00 0.32 0.00 0.00 109 D 8.86 5.41 0.00 3.08 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 0.00 110 L 8.84 5.36 0.00 1.82 1.10 0.64 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.56 5.43 1.61 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 0.00 0.00 112 V 9.06 4.87 2.16 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 1.07 0.00 0.00 1.10 0.00 0.00 113 F 9.27 5.14 0.00 3.18 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 0.00 114 Y 8.83 4.80 0.00 2.92 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 0.00 115 G 7.48 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 0.00 0.00 0.00 116 R 8.11 4.51 0.00 1.88 1.93 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 117 N 8.50 4.16 0.00 2.85 2.92 0.00 0.00 6.69 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 0.00 118 N 7.87 5.17 0.00 2.51 3.00 0.00 0.00 6.98 7.85 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 0.00 119 L 8.34 4.98 0.00 1.62 1.66 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 120 L 9.06 4.98 0.00 1.89 2.18 1.28 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.98 5.01 0.00 1.09 1.27 -0.19 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.97 4.66 0.00 1.96 1.42 0.00 0.00 6.50 6.54 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 0.00 123 G 8.34 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.43 0.00 2.71 2.65 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 0.00 125 T 7.88 4.59 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 1.22 0.00 0.00 126 G 7.70 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 0.00 127 W 8.51 4.76 0.00 3.20 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 0.00 128 V 8.93 4.61 2.38 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 1.18 0.00 0.00 1.08 0.00 0.00 129 P 0.00 4.75 0.00 2.01 1.98 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 130 G 8.82 3.44 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 0.00 0.00 0.00 0.00 131 N 8.42 5.05 0.00 2.82 2.72 0.00 0.00 6.52 7.26 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 0.00 132 V 8.40 4.39 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 0.77 0.00 0.00 0.88 0.00 0.00 133 F 9.19 5.10 0.00 3.10 3.20 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 0.00 134 A 7.14 5.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 5.01 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 1.23 0.00 0.00 136 I 8.85 4.36 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.96 0.00 0.00 137 V 9.01 4.47 2.15 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 0.82 0.00 0.00 1.12 0.00 0.00 138 E 7.93 4.47 0.00 1.86 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 2.28 2.29 0.00 139 G 9.02 4.42 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 0.00 140 L 8.10 4.05 0.00 1.64 1.75 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.34 4.58 0.00 2.76 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 0.00 142 E 7.69 3.95 0.00 2.22 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 2.32 2.30 0.00 *144 A 8.19 4.10 1.57 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 0.00 0.00 145 A 8.10 3.99 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 0.00 146 A 8.03 3.92 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 147 C 7.66 3.90 0.00 1.72 1.83 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 0.00 148 Q 7.69 4.18 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.01 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 149 D 7.85 4.47 0.00 2.66 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 0.00 150 I 7.86 4.19 2.07 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 1.35 1.54 0.95 0.00 0.00 151 W 8.20 4.45 0.00 3.06 3.47 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 0.00 *153 G 7.90 3.66 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 0.00 0.00 0.00 154 G 8.32 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 0.00 155 A 8.12 4.61 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 0.00 156 R 7.90 4.07 0.00 1.78 1.87 0.00 3.52 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 157 D 8.69 4.36 0.00 2.78 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 0.00 158 E 7.96 4.64 0.00 2.02 1.83 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 2.15 2.22 0.00 159 T 8.24 4.93 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 1.22 0.00 0.00 160 L 8.85 4.96 0.00 1.68 1.55 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.83 5.12 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 1.19 0.00 0.00 162 F 9.52 5.28 0.00 3.02 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 0.00 163 S 9.11 4.94 0.00 3.77 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 0.00 164 R 8.30 4.19 0.00 1.42 1.53 0.00 2.71 0.00 0.00 2.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 165 A 8.93 4.53 1.46 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 0.00 0.00 0.00 166 E 8.79 4.22 0.00 2.00 1.73 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.