NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2020 8.1727 122.0606 56.3412 34.0673 173.9935 2 V 4.5305 8.3019 127.7181 60.9010 32.0178 174.5524 3 F 4.3615 9.4225 128.2162 57.1906 40.0031 175.7291 4 G 3.7721 9.1909 109.7751 46.1114 0.0000 174.7042 5 R 3.2367 8.7797 120.3668 59.6278 30.1829 179.7305 6 C 4.3254 8.0829 115.5999 59.5548 35.8795 175.5087 7 E 3.9171 8.1386 120.7779 59.3297 29.2557 178.5702 8 L 3.6414 8.2322 120.4208 57.7671 41.9752 178.4770 9 A 3.9227 8.0278 120.6680 55.3465 18.2197 179.5392 10 A 3.8993 8.1698 118.8749 55.1569 18.4154 179.7928 11 A 3.9208 7.9835 119.3105 55.5326 18.4694 179.7962 12 M 3.8489 8.3211 117.7134 58.1916 31.9462 178.9183 13 K 3.8637 8.2860 120.1455 59.5373 32.1940 178.8075 14 R 3.8677 7.9415 117.9260 59.4865 29.9720 177.1860 15 H 4.6282 7.8364 113.4456 55.5133 28.7121 175.9022 16 G 3.8922 7.8939 108.7671 45.7642 0.0000 175.0021 17 L 3.6953 7.7781 121.2464 55.9201 41.9149 176.6014 18 D 4.6371 8.0284 118.6884 55.3234 41.4795 174.7230 19 N 4.3795 9.0534 124.8723 54.3047 38.4655 172.7766 20 Y 4.2292 8.2645 117.3432 58.3302 39.1547 175.7750 21 R 3.6342 9.1106 124.9453 57.2045 27.8572 177.1638 22 G 3.7227 8.2319 104.2746 45.5711 0.0000 173.5764 23 Y 4.3748 8.0048 118.8752 55.7974 38.7247 175.8704 24 S 4.8303 8.5392 119.8266 57.8006 64.1850 174.8364 25 L 4.2935 8.9832 123.3112 58.7407 41.5808 179.6839 26 G 3.8620 8.3136 104.8789 47.8272 0.0000 175.1459 27 N 4.4977 8.3243 118.7228 56.1937 38.5330 177.5023 28 W 3.8966 7.9362 119.7354 59.6262 29.1315 178.6874 29 V 3.5710 8.0838 118.3207 66.0090 30.9749 177.2236 30 C 2.6029 8.2099 118.3106 59.0057 43.3251 175.3911 31 A 3.8941 7.9651 122.0988 55.1974 17.8775 179.4937 32 A 4.0712 7.9308 120.6513 54.3525 18.3902 179.5848 33 K 2.5058 7.7518 118.3888 59.4044 31.8695 178.7529 34 F 4.5440 7.1463 115.0667 59.1116 39.0746 177.6377 35 E 4.3065 8.2557 118.8216 58.4818 29.8173 177.5167 36 S 4.5475 7.9554 109.6456 56.4923 64.4773 173.4628 37 N 3.9525 8.7105 118.2644 54.7300 37.7469 174.0311 38 F 4.0597 7.9391 110.3290 57.8604 36.7770 173.8642 39 N 5.2790 8.0367 120.9581 52.0447 39.1761 175.9743 40 T 4.0337 9.0017 117.7512 64.4781 68.9254 175.5815 41 Q 4.3662 8.4704 119.1415 55.6712 29.2691 175.6385 42 A 4.3436 7.9295 122.1624 52.4455 19.4008 177.0529 43 T 5.0162 8.2956 110.9188 60.2144 72.4536 173.3020 44 N 4.8629 8.5810 120.7277 51.9784 43.3942 173.6562 45 R 4.4414 8.6062 125.0827 56.2946 31.0539 175.6580 46 N 4.9180 9.2383 124.3933 52.1633 40.1975 176.5249 47 T 3.8714 8.5776 111.0716 64.7472 68.8894 174.8990 48 D 4.4742 8.0040 118.9254 53.5979 39.6933 176.9809 49 G 3.9251 8.1127 109.6532 45.1796 0.0000 173.9291 50 S 4.5439 8.2810 114.9368 58.5516 64.9099 173.2067 51 T 5.0084 8.9507 115.8114 61.9331 72.7079 172.9871 52 D 5.5218 8.9850 124.5507 53.2025 43.5511 175.1658 53 Y 5.0013 8.9990 119.4200 57.6260 42.2050 176.6911 54 G 4.2469 9.2898 111.1821 45.5867 0.0000 173.4605 55 I 3.9895 8.2731 116.3420 62.7397 37.9530 177.4489 56 L 4.6737 7.8158 117.3850 53.5920 42.6804 176.3228 57 Q 3.5993 8.0738 115.7736 57.1565 26.7986 174.3770 58 I 4.2077 8.0098 118.5169 61.2160 39.1556 176.6709 59 N 5.5390 9.0259 125.1544 52.7123 40.5604 175.3837 60 S 4.7558 8.9056 118.6188 59.1720 63.4157 175.2046 61 R 3.7507 9.0086 122.9406 58.4471 30.3870 178.0721 62 W 4.1938 8.0432 117.0068 56.3569 31.6316 176.7199 63 W 4.9751 8.1737 117.1606 57.2287 30.8369 173.7038 64 C 5.6183 8.1031 112.4132 53.7343 43.0547 172.3486 65 N 5.2141 9.0022 119.1851 52.2007 39.7892 174.8312 66 D 4.6512 8.7181 123.9092 52.2761 40.3909 176.7797 67 G 3.9742 8.5144 107.4106 46.3124 0.0000 174.2806 68 R 4.6991 8.4591 114.6059 56.1087 30.3188 175.9768 69 T 4.4424 7.6252 116.5663 61.0531 68.7855 170.6638 70 P 4.2976 0.0000 0.0000 63.8309 31.9929 177.1412 71 G 3.7686 8.7728 110.0273 45.6176 0.0000 173.5526 72 S 4.0960 7.5035 114.2327 57.5500 64.0610 172.9617 73 R 4.4973 7.8001 120.2927 53.9215 32.9630 176.1164 74 N 5.0641 7.7888 114.8914 52.9115 37.5192 175.0112 75 L 4.2803 8.8244 120.1887 57.5067 42.5631 179.2210 76 C 4.5428 8.9045 114.8452 55.8658 40.7386 173.3419 77 N 4.1790 8.0433 115.9554 53.6208 36.1494 173.8168 78 I 4.6741 8.1445 109.9779 58.3893 41.4223 172.9535 79 P 4.7105 0.0000 0.0000 62.6769 32.0693 178.1748 80 C 3.9636 8.8984 119.5789 60.0067 40.9001 176.7080 81 S 3.8611 7.8779 115.0689 61.1063 62.2839 176.0258 82 A 4.1213 7.8570 123.4094 54.1328 18.2487 178.4763 83 L 4.3112 7.9877 116.6711 55.3862 41.7262 177.7232 84 L 5.5099 7.5341 117.5574 53.6948 42.5236 176.8244 85 S 4.3683 7.7938 113.6471 57.8490 62.9076 174.2142 86 S 4.2392 8.5603 119.1379 60.6101 63.0196 173.7707 87 D 4.6508 7.9322 121.7205 53.3876 40.9534 176.1823 88 I 4.1233 8.3408 120.1152 61.5110 37.8227 177.2433 89 T 3.5196 8.3549 119.5574 67.1696 68.3450 176.0392 90 A 3.9516 7.8534 121.7912 55.1979 18.3883 179.6839 91 S 4.0635 7.9194 113.2533 61.6474 62.8953 176.9713 92 V 3.2788 7.9316 121.2748 65.9677 30.9370 177.8064 93 N 4.1290 8.2655 116.6174 56.4162 38.3066 176.6295 94 C 4.2151 8.3002 119.6666 59.4498 43.4017 175.2773 95 A 4.0609 8.2035 122.7586 55.2573 17.6678 179.7068 96 K 3.5988 7.6982 116.1102 59.4247 32.3602 179.3933 97 K 4.1541 7.5587 118.3782 59.4475 31.9654 179.5070 98 I 2.7589 7.3362 120.2877 63.9000 36.4317 178.5883 99 V 4.0798 8.2851 118.9916 63.5921 30.5225 177.3543 100 S 4.6326 7.8032 115.0093 59.1480 62.9185 174.6941 101 D 4.4194 7.9378 120.8098 55.3288 41.1596 175.0410 102 G 3.4910 6.4209 112.1970 46.0165 0.0000 174.3822 103 N 4.8399 8.1567 116.4166 51.8798 39.8670 175.6419 104 G 3.8632 7.8533 107.3386 45.8744 0.0000 175.6277 105 M 4.0650 7.4925 120.3955 56.1432 31.8063 177.8907 106 N 4.7508 7.8063 116.1016 55.6512 38.9087 176.0374 107 A 3.8421 7.4689 121.0350 54.4217 18.6063 177.8811 108 W 4.5187 8.3231 116.6013 55.3661 29.3780 177.0929 109 V 3.7119 8.4929 124.7256 66.1002 30.9995 177.5479 110 A 4.0338 8.1753 119.9567 54.6220 18.2009 179.2247 111 W 3.9986 8.3686 126.5704 60.6755 30.6660 177.9484 112 R 3.4907 8.1692 117.1350 59.5348 29.6613 177.8836 113 N 4.4855 8.3468 114.6957 54.9396 38.7338 176.0801 114 R 4.3880 7.7645 116.1740 55.3985 32.7665 175.3175 115 C 4.7182 7.6145 113.8041 57.7427 42.4465 174.2806 116 K 3.2398 6.7440 120.5104 57.6682 31.6516 176.9536 117 G 3.8628 8.8223 114.1098 45.6356 0.0000 173.0005 118 T 4.3973 7.4221 109.7677 60.2046 71.1146 176.1170 119 D 4.7031 8.1725 120.8433 53.8166 37.9855 176.5413 120 V 4.1539 7.8323 116.6317 63.6920 32.1896 177.3932 121 Q 4.1122 8.3311 118.9375 58.8412 28.8268 177.6717 122 A 3.9548 7.9959 121.9604 55.0244 18.0374 179.3528 123 W 4.3242 8.2316 116.2142 58.4213 29.4747 177.0131 124 I 4.5218 7.6523 111.6674 60.2878 37.4634 175.5250 125 R 4.1522 7.5991 120.6043 57.9203 30.2338 177.0318 126 G 4.0426 8.9105 110.3729 45.6044 0.0000 174.4592 127 C 4.3927 7.5991 116.7261 56.3816 40.8386 173.4068 128 R 4.1219 8.4791 126.9889 55.6982 29.4915 176.7421 *129 L 4.1567 8.3612 124.7315 54.5103 41.6104 173.4498 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.20 0.00 1.79 1.77 0.00 1.36 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.16 7.81 2 V 8.30 4.53 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 0.95 0.00 0.00 0.99 0.00 0.00 3 F 9.42 4.36 0.00 3.00 2.81 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 4 G 9.19 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 5 R 8.78 3.24 0.00 2.08 1.99 0.00 3.61 0.00 0.00 3.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 6 C 8.08 4.33 0.00 3.01 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 7 E 8.14 3.92 0.00 2.05 2.29 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 2.61 2.40 0.00 8 L 8.23 3.64 0.00 1.38 1.31 0.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.03 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 10 A 8.17 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.98 3.92 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 12 M 8.32 3.85 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 13 K 8.29 3.86 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.94 3.87 0.00 1.77 1.98 0.00 3.22 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 15 H 7.84 4.63 0.00 3.04 3.13 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.89 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 17 L 7.78 3.70 0.00 1.39 0.54 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.03 4.64 0.00 2.64 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 19 N 9.05 4.38 0.00 2.98 2.80 0.00 0.00 6.40 6.92 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 20 Y 8.26 4.23 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.11 3.63 0.00 2.35 2.19 0.00 3.51 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.73 0.00 22 G 8.23 3.72 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 0.00 0.00 0.00 23 Y 8.00 4.37 0.00 3.32 2.54 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 24 S 8.54 4.83 0.00 4.10 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 25 L 8.98 4.29 0.00 2.08 1.83 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.31 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 27 N 8.32 4.50 0.00 2.91 2.63 0.00 0.00 6.94 7.71 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 28 W 7.94 3.90 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 29 V 8.08 3.57 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 1.24 0.00 0.00 1.02 0.00 0.00 30 C 8.21 2.60 0.00 2.49 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 31 A 7.97 3.89 1.07 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 32 A 7.93 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 2.51 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.04 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.15 4.54 0.00 3.03 2.95 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 35 E 8.26 4.31 0.00 1.99 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 0.00 2.60 2.55 0.00 36 S 7.96 4.55 0.00 4.15 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 37 N 8.71 3.95 0.00 2.74 2.83 0.00 0.00 7.18 6.61 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 38 F 7.94 4.06 0.00 3.39 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 39 N 8.04 5.28 0.00 2.80 2.88 0.00 0.00 6.97 6.52 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 40 T 9.00 4.03 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 41 Q 8.47 4.37 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 42 A 7.93 4.34 1.32 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 0.00 0.00 0.00 43 T 8.30 5.02 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 1.28 0.00 0.00 44 N 8.58 4.86 0.00 2.77 2.67 0.00 0.00 6.61 7.03 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 45 R 8.61 4.44 0.00 1.77 1.81 0.00 3.24 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 46 N 9.24 4.92 0.00 2.91 2.71 0.00 0.00 6.40 7.02 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 47 T 8.58 3.87 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 1.21 0.00 0.00 48 D 8.00 4.47 0.00 2.78 2.81 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 49 G 8.11 3.93 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 0.00 50 S 8.28 4.54 0.00 3.93 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 51 T 8.95 5.01 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 0.61 0.00 0.00 52 D 8.98 5.52 0.00 2.61 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 53 Y 9.00 5.00 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 54 G 9.29 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 0.00 0.00 0.00 55 I 8.27 3.99 1.87 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 1.28 2.29 0.84 0.00 0.00 56 L 7.82 4.67 0.00 1.75 1.81 0.82 0.69 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 57 Q 8.07 3.60 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.75 0.00 58 I 8.01 4.21 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 1.05 0.00 0.00 59 N 9.03 5.54 0.00 3.01 2.96 0.00 0.00 6.98 7.37 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 60 S 8.91 4.76 0.00 4.00 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 0.00 61 R 9.01 3.75 0.00 1.77 1.68 0.00 2.99 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.93 0.00 62 W 8.04 4.19 0.00 2.03 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 0.00 0.00 0.00 63 W 8.17 4.98 0.00 3.60 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 64 C 8.10 5.62 0.00 3.05 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 65 N 9.00 5.21 0.00 2.83 2.68 0.00 0.00 7.10 9.28 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 66 D 8.72 4.65 0.00 2.79 2.58 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 67 G 8.51 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 0.00 0.00 0.00 68 R 8.46 4.70 0.00 1.88 1.95 0.00 3.03 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 T 7.63 4.44 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 1.13 0.00 0.00 70 P 0.00 4.30 0.00 1.98 1.95 0.00 3.69 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 1.99 2.06 0.00 71 G 8.77 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 72 S 7.50 4.10 0.00 3.94 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 73 R 7.80 4.50 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.75 0.00 74 N 7.79 5.06 0.00 2.76 2.62 0.00 0.00 6.91 6.66 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 75 L 8.82 4.28 0.00 1.68 1.89 0.45 0.90 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 76 C 8.90 4.54 0.00 3.20 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 77 N 8.04 4.18 0.00 2.90 2.89 0.00 0.00 6.71 6.79 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 78 I 8.14 4.67 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.97 0.00 0.00 79 P 0.00 4.71 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 80 C 8.90 3.96 0.00 2.03 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 81 S 7.88 3.86 0.00 4.04 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 82 A 7.86 4.12 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 83 L 7.99 4.31 0.00 1.93 1.80 1.00 0.41 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 84 L 7.53 5.51 0.00 1.78 1.76 1.08 0.96 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 85 S 7.79 4.37 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.56 4.24 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.65 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 88 I 8.34 4.12 1.69 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 0.72 0.00 0.00 89 T 8.35 3.52 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 1.16 0.00 0.00 90 A 7.85 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.92 4.06 0.00 3.93 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 92 V 7.93 3.28 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.68 0.00 0.00 93 N 8.27 4.13 0.00 2.68 2.79 0.00 0.00 6.71 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.30 4.22 0.00 3.07 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 95 A 8.20 4.06 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 96 K 7.70 3.60 0.00 1.61 1.49 0.00 1.31 0.00 0.00 1.10 0.00 0.00 2.35 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.91 7.81 97 K 7.56 4.15 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.63 7.81 98 I 7.34 2.76 1.45 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.21 0.00 0.00 99 V 8.29 4.08 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.92 0.00 0.00 100 S 7.80 4.63 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.94 4.42 0.00 2.86 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 0.00 102 G 6.42 3.49 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 0.00 103 N 8.16 4.84 0.00 2.74 2.83 0.00 0.00 7.03 7.67 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 0.00 104 G 7.85 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 0.00 105 M 7.49 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.95 0.00 106 N 7.81 4.75 0.00 2.96 3.03 0.00 0.00 6.87 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 0.00 107 A 7.47 3.84 0.73 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 0.00 108 W 8.32 4.52 0.00 3.62 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.49 3.71 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 1.17 0.00 0.00 0.98 0.00 0.00 110 A 8.18 4.03 1.49 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 0.00 111 W 8.37 4.00 0.00 3.31 3.61 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 0.00 112 R 8.17 3.49 0.00 2.10 2.17 0.00 3.35 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 113 N 8.35 4.49 0.00 2.72 2.77 0.00 0.00 6.87 7.31 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 0.00 114 R 7.76 4.39 0.00 1.52 1.08 0.00 2.87 0.00 0.00 2.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 115 C 7.61 4.72 0.00 2.33 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 0.00 116 K 6.74 3.24 0.00 0.79 1.23 0.00 1.63 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.22 1.10 7.81 117 G 8.82 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 0.00 118 T 7.42 4.40 4.30 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 1.24 0.00 0.00 119 D 8.17 4.70 0.00 2.82 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 0.00 120 V 7.83 4.15 2.37 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 1.01 0.00 0.00 1.08 0.00 0.00 121 Q 8.33 4.11 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 122 A 8.00 3.95 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 0.00 123 W 8.23 4.32 0.00 3.56 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 4.52 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 1.51 0.79 1.02 0.00 0.00 125 R 7.60 4.15 0.00 1.94 1.88 0.00 3.11 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 126 G 8.91 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 0.00 127 C 7.60 4.39 0.00 3.11 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 0.00 128 R 8.48 4.12 0.00 1.75 1.86 0.00 3.32 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 *129 L 8.36 4.16 0.00 1.47 1.48 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.