NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3249 8.3144 122.0576 56.1760 32.1827 175.2560 3 K 4.2026 8.7035 124.6437 55.2730 34.0273 175.4553 4 I 4.3311 9.2419 129.4910 61.5570 38.3349 174.7301 5 I 4.5515 8.6227 127.6169 59.5970 39.1228 174.9722 6 E 4.8525 8.6580 126.7089 54.9706 32.3452 174.2940 7 T 4.6913 10.0255 121.3528 60.6085 70.6383 174.0481 8 Q 4.2418 8.6468 124.6437 56.8327 29.2118 176.7188 9 R 4.2771 7.9744 116.2395 56.2561 30.6290 175.9769 10 A 5.0263 7.1463 120.0763 49.0885 21.8160 174.4740 11 P 4.3769 0.0000 0.0000 62.3847 32.0028 177.2177 12 G 3.6949 8.4306 110.4885 45.0591 0.0000 173.1081 13 A 4.0062 8.2765 124.3589 51.5631 18.1862 177.5297 14 I 3.7581 8.1468 126.0455 62.9540 38.2316 178.4848 15 G 4.2932 7.2667 114.0103 44.2669 0.0000 171.9284 16 P 4.5543 0.0000 0.0000 60.4799 30.1549 174.5378 17 Y 4.8410 6.6560 117.8112 56.7734 40.9965 175.3540 18 V 4.3800 8.1227 114.4789 59.9239 33.9042 176.2857 19 Q 4.3516 8.7891 121.6121 59.1679 29.6808 176.6980 20 G 4.6807 7.9207 103.6365 44.9814 0.0000 172.2415 21 V 5.0500 8.7492 120.5987 59.6248 34.9931 173.8407 22 D 5.0868 9.5553 124.2730 52.8138 42.7148 176.3039 23 L 4.3896 8.9788 126.1179 54.4568 41.9665 177.3035 24 G 4.4168 8.2352 114.5325 45.3770 0.0000 175.2714 25 S 4.4917 7.9674 114.2235 59.2711 65.0775 172.9594 26 M 5.1642 7.9001 119.6531 53.6951 35.9417 173.6506 27 V 4.9381 9.0523 125.4334 61.1632 34.7486 173.8994 28 F 5.2863 9.1741 126.6667 55.9698 41.3552 174.8034 29 T 5.0580 8.5858 113.7958 59.8481 70.7905 174.7301 30 S 4.3067 8.7443 119.7752 58.4698 63.9768 174.5063 31 G 3.7824 8.4878 108.7746 46.5477 0.0000 172.8764 32 Q 4.8243 9.3747 126.1653 54.4878 30.6612 175.1071 33 I 4.8552 8.1532 116.3305 57.3853 40.7361 174.3739 34 P 4.6741 0.0000 0.0000 62.6519 30.5658 174.7802 35 V 4.3936 6.9354 124.6969 62.9144 30.8718 175.4299 *37 P 4.4176 0.0000 0.0000 62.9533 33.0433 178.6520 38 Q 4.2248 8.2494 116.4482 57.4321 28.4423 180.8902 39 T 4.2028 7.8901 106.3734 61.0187 69.6322 175.6200 40 G 3.9108 8.1037 108.9915 46.1170 0.0000 173.1523 41 E 4.4350 7.7276 118.5009 55.0046 30.7476 175.7936 42 I 4.8820 8.2004 121.7527 57.9041 38.8094 174.2827 43 P 4.4050 0.0000 0.0000 62.6873 31.8755 176.2164 44 A 4.2257 8.4016 122.4567 54.2221 19.4601 178.2441 45 D 4.6595 7.8416 115.2555 53.4296 43.2747 177.3251 46 V 3.6331 8.4053 126.7168 65.1335 31.2177 178.6107 47 Q 3.9702 8.5784 118.2042 59.0079 28.2897 178.3004 48 D 4.3876 8.0251 120.3200 56.8830 41.0009 178.4100 49 Q 3.9729 8.3526 118.6633 58.8641 28.7469 178.8255 50 A 3.9435 8.2618 121.8943 55.1852 18.4495 179.4934 51 R 3.7506 7.6215 117.2523 59.5862 30.0766 178.5043 52 L 3.9346 7.9086 119.9706 58.0723 42.0318 178.8611 53 S 4.0707 8.2500 115.4096 61.6820 62.7907 176.3328 54 L 3.4388 7.5692 121.3233 58.0702 41.2041 179.4153 55 E 4.0357 8.2979 118.3061 59.8698 29.4593 179.4780 56 N 4.3583 8.2324 116.3323 55.9975 38.6852 177.7147 57 V 3.6503 7.9472 119.9184 65.8165 31.7084 177.6906 58 K 3.8438 8.3624 119.5810 59.7530 31.9880 178.0783 59 A 4.0320 8.2869 121.0542 55.6587 17.8940 179.7651 60 I 3.7570 7.4624 116.5967 64.2668 37.1943 178.9367 61 V 3.6525 7.7308 118.8082 66.0225 31.4194 178.2850 62 V 4.0730 8.6360 119.4909 65.4813 31.1520 177.7740 63 A 4.2115 8.0914 119.1062 54.4113 18.2617 178.4572 64 A 4.3629 7.4276 116.1247 52.1943 19.0356 178.1352 65 G 3.8206 8.3927 105.9465 45.2860 0.0000 173.0431 66 L 4.7366 7.8260 119.4705 52.5342 44.8290 175.0268 67 S 5.1156 8.7812 113.9708 55.9382 66.0416 175.1889 68 V 3.5243 8.4081 119.3169 66.1275 30.9384 177.8281 69 G 3.8573 8.0894 106.0953 47.4414 0.0000 173.1977 70 D 4.7362 7.9802 118.9260 54.0341 41.9371 176.2079 71 I 4.3230 7.7619 121.8187 61.4217 37.3627 175.5685 72 I 4.4644 8.8247 118.8333 60.7252 40.2284 175.3464 73 K 5.0986 7.6701 124.0154 55.4252 35.6142 174.4268 74 M 5.8007 9.4020 126.3259 52.8377 36.6011 174.4092 75 T 4.7965 8.3142 116.8035 61.7301 72.2581 173.1657 76 V 4.1823 8.4377 126.9776 61.3486 33.1857 174.2083 77 F 5.3456 9.0087 128.7869 56.4470 40.4582 175.4037 78 I 5.2678 8.9924 117.1300 59.5206 41.0717 176.0103 79 T 4.7066 8.4456 112.3283 62.4016 70.6893 174.1089 80 D 4.5710 7.8297 122.5311 52.0677 43.0565 175.3248 81 L 4.0083 9.2927 129.0180 57.7437 41.2981 179.2389 82 N 4.4857 8.5551 115.9243 55.8627 38.6929 176.0530 83 D 4.6556 8.2829 119.1445 54.8488 41.0809 178.1337 84 F 4.1740 8.3425 122.7126 61.3958 39.6628 176.8120 85 A 3.8909 8.0842 119.9055 55.3271 18.2695 179.6427 86 T 3.7842 7.7730 113.6583 66.8146 68.6348 176.7433 87 I 3.6815 7.7794 121.6737 64.5883 37.0793 177.9881 88 N 4.0575 8.2854 120.0074 57.0897 38.2369 177.9495 89 E 3.9543 7.9883 118.9900 61.1210 29.7822 181.3490 90 V 3.8378 7.6996 119.2989 65.8843 31.6842 177.5995 91 Y 4.0813 8.2099 119.4826 60.4273 38.5839 177.4794 92 K 4.0253 8.4888 120.8222 59.9090 32.3304 178.5440 93 Q 4.0575 8.3586 118.1990 58.9673 28.6351 178.6779 94 F 4.0394 8.5972 121.7956 61.4996 39.3777 177.2917 95 F 3.7965 8.2672 116.7872 60.5921 38.8250 177.2811 96 D 4.4484 8.6701 118.7707 57.7185 40.4357 178.9523 97 E 3.9995 8.2171 117.7195 58.7925 29.4025 178.0128 98 H 4.4389 7.2157 113.5547 54.2037 30.1829 175.4290 99 Q 3.1761 7.5125 118.7392 57.1687 26.4379 174.0660 100 A 4.7321 8.0215 119.8472 49.8717 22.0806 176.8505 101 T 3.5954 8.3534 112.8327 61.5126 69.3267 173.7009 102 Y 3.8538 7.2682 121.2253 57.3399 38.4035 174.2767 103 P 4.6178 0.0000 0.0000 62.2995 32.5904 175.8607 104 T 4.2649 8.5869 111.1153 62.2718 70.2093 173.6511 105 R 5.4508 8.0592 120.6196 56.2697 33.0704 173.9999 106 S 4.8876 8.5800 121.0913 57.0543 66.5203 172.7256 107 C 5.0029 8.2849 121.9741 58.2703 34.1339 173.4591 108 V 4.5089 8.4832 118.7356 59.4958 35.8454 174.5457 109 Q 4.7393 8.6960 125.5999 55.7880 29.4897 175.6906 110 V 4.2877 8.7021 120.6147 59.8292 33.5443 176.6982 111 A 4.0957 8.5839 124.0361 55.1065 18.3766 177.8202 112 R 4.6467 7.4215 112.0292 55.2448 33.1350 173.6429 113 L 4.8211 8.0519 121.2135 51.6931 44.8391 174.3172 114 P 4.2398 0.0000 0.0000 64.6782 31.6356 176.5875 115 K 3.8082 9.4995 119.3271 57.0256 29.7199 174.8548 116 D 4.4495 8.4149 115.0949 55.2575 38.8076 174.6527 117 V 3.8669 7.1720 110.6210 61.7165 32.0041 176.4463 118 K 4.7351 9.7526 120.0002 56.5263 32.9654 176.3294 119 L 4.9123 7.5485 118.4242 55.1371 43.0385 174.0156 120 E 4.9881 9.3185 120.4263 55.0010 33.6485 173.7168 121 I 5.6313 9.3476 127.4904 58.5409 40.7387 174.3420 122 E 5.0940 8.9279 124.4552 54.7790 32.5851 174.6351 123 A 5.2809 8.7353 121.6283 50.5209 23.6099 174.9863 124 I 4.7084 8.6548 119.1849 59.4181 40.7707 174.7298 125 A 5.2534 8.8065 128.5505 50.1810 22.1035 175.3496 126 V 4.7314 8.4171 113.1963 59.5088 34.0661 176.3858 127 R 4.0561 9.2581 125.5630 59.0682 30.6030 176.5296 128 S 4.1499 7.6939 116.3369 58.4996 62.6620 173.0404 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 K 8.31 4.32 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 3 K 8.70 4.20 0.00 1.99 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 1.36 7.81 4 I 9.24 4.33 1.89 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 1.37 0.67 0.93 0.00 0.00 5 I 8.62 4.55 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.94 0.00 0.00 6 E 8.66 4.85 0.00 2.18 1.78 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 2.18 1.86 0.00 7 T 10.03 4.69 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 1.31 0.00 0.00 8 Q 8.65 4.24 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 9 R 7.97 4.28 0.00 1.83 1.98 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 10 A 7.15 5.03 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 11 P 0.00 4.38 0.00 2.11 2.03 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 12 G 8.43 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 0.00 0.00 0.00 13 A 8.28 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.15 3.76 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.99 0.00 0.00 15 G 7.27 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 16 P 0.00 4.55 0.00 2.21 2.09 0.00 3.97 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 2.02 1.97 0.00 17 Y 6.66 4.84 0.00 3.06 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 18 V 8.12 4.38 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 0.76 0.00 0.00 1.05 0.00 0.00 19 Q 8.79 4.35 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 20 G 7.92 4.68 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 0.00 0.00 0.00 21 V 8.75 5.05 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 0.78 0.00 0.00 1.01 0.00 0.00 22 D 9.56 5.09 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.39 0.00 1.85 1.76 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.24 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 25 S 7.97 4.49 0.00 3.93 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 26 M 7.90 5.16 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 27 V 9.05 4.94 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 1.08 0.00 0.00 0.99 0.00 0.00 28 F 9.17 5.29 0.00 3.06 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 29 T 8.59 5.06 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 1.25 0.00 0.00 30 S 8.74 4.31 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 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 32 Q 9.37 4.82 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 33 I 8.15 4.86 1.88 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 1.41 0.68 0.91 0.00 0.00 34 P 0.00 4.67 0.00 2.24 2.41 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 35 V 6.94 4.39 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 0.88 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.42 0.00 2.39 2.17 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 38 Q 8.25 4.22 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.99 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 39 T 7.89 4.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 G 8.10 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 0.00 0.00 0.00 41 E 7.73 4.43 0.00 1.92 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 2.30 2.42 0.00 42 I 8.20 4.88 1.88 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 1.25 1.66 0.97 0.00 0.00 43 P 0.00 4.41 0.00 2.16 2.06 0.00 3.60 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 1.99 2.08 0.00 44 A 8.40 4.23 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 45 D 7.84 4.66 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.63 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 0.95 0.00 0.00 1.02 0.00 0.00 47 Q 8.58 3.97 0.00 2.31 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 48 D 8.03 4.39 0.00 2.87 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 49 Q 8.35 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 50 A 8.26 3.94 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 51 R 7.62 3.75 0.00 1.91 1.94 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 52 L 7.91 3.93 0.00 1.87 1.69 0.92 1.06 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 53 S 8.25 4.07 0.00 3.85 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 54 L 7.57 3.44 0.00 1.36 0.13 0.60 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.30 4.04 0.00 2.06 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 0.00 2.61 2.54 0.00 56 N 8.23 4.36 0.00 2.90 3.08 0.00 0.00 6.65 7.20 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 57 V 7.95 3.65 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 1.01 0.00 0.00 0.95 0.00 0.00 58 K 8.36 3.84 0.00 2.12 2.09 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 59 A 8.29 4.03 1.41 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 0.00 0.00 60 I 7.46 3.76 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 1.01 0.00 0.00 61 V 7.73 3.65 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 1.04 0.00 0.00 1.00 0.00 0.00 62 V 8.64 4.07 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 1.32 0.00 0.00 1.03 0.00 0.00 63 A 8.09 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.43 4.36 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 65 G 8.39 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.83 4.74 0.00 1.89 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.78 5.12 0.00 3.91 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 68 V 8.41 3.52 1.76 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 0.33 0.00 0.00 0.48 0.00 0.00 69 G 8.09 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 70 D 7.98 4.74 0.00 2.90 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 71 I 7.76 4.32 2.23 0.00 0.00 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 1.42 0.54 1.08 0.00 0.00 72 I 8.82 4.46 1.85 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 1.06 0.94 0.96 0.00 0.00 73 K 7.67 5.10 0.00 1.82 1.58 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.37 7.81 74 M 9.40 5.80 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 75 T 8.31 4.80 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 0.28 0.00 0.00 76 V 8.44 4.18 2.02 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 1.00 0.00 0.00 0.92 0.00 0.00 77 F 9.01 5.35 0.00 3.01 2.90 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 0.00 0.00 0.00 0.00 78 I 8.99 5.27 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 1.00 0.00 0.00 79 T 8.45 4.71 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 1.29 0.00 0.00 80 D 7.83 4.57 0.00 2.66 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 81 L 9.29 4.01 0.00 1.74 1.67 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.56 4.49 0.00 2.81 2.91 0.00 0.00 7.03 8.84 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 83 D 8.28 4.66 0.00 2.92 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 84 F 8.34 4.17 0.00 3.15 3.09 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 85 A 8.08 3.89 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 86 T 7.77 3.78 4.38 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 1.21 0.00 0.00 87 I 7.78 3.68 1.79 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.90 0.00 0.00 88 N 8.29 4.06 0.00 2.46 2.59 0.00 0.00 7.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.99 3.95 0.00 2.01 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 2.24 2.18 0.00 90 V 7.70 3.84 2.25 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 1.06 0.00 0.00 0.98 0.00 0.00 91 Y 8.21 4.08 0.00 3.13 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 92 K 8.49 4.03 0.00 1.96 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.58 1.29 7.81 93 Q 8.36 4.06 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 94 F 8.60 4.04 0.00 3.09 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 95 F 8.27 3.80 0.00 3.65 3.52 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 0.00 0.00 0.00 0.00 96 D 8.67 4.45 0.00 2.77 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 0.00 97 E 8.22 4.00 0.00 1.87 1.80 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 2.29 2.44 0.00 98 H 7.22 4.44 0.00 2.89 3.12 0.00 5.98 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.51 3.18 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 100 A 8.02 4.73 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 3.60 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 1.10 0.00 0.00 102 Y 7.27 3.85 0.00 2.98 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 0.00 103 P 0.00 4.62 0.00 1.90 1.95 0.00 3.04 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 104 T 8.59 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 105 R 8.06 5.45 0.00 1.75 1.68 0.00 2.41 0.00 0.00 3.33 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 106 S 8.58 4.89 0.00 3.67 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.28 5.00 0.00 2.91 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 0.00 108 V 8.48 4.51 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 0.65 0.00 0.00 1.14 0.00 0.00 109 Q 8.70 4.74 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 110 V 8.70 4.29 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 0.77 0.00 0.00 1.07 0.00 0.00 111 A 8.58 4.10 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 0.00 112 R 7.42 4.65 0.00 1.72 1.74 0.00 3.17 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 113 L 8.05 4.82 0.00 1.85 1.49 1.02 1.03 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 0.00 114 P 0.00 4.24 0.00 2.14 2.00 0.00 3.83 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 2.05 2.09 0.00 115 K 9.50 3.81 0.00 1.88 1.87 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.45 7.81 116 D 8.41 4.45 0.00 2.82 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 0.00 117 V 7.17 3.87 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 0.67 0.00 0.00 1.07 0.00 0.00 118 K 9.75 4.74 0.00 1.75 1.86 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.23 7.81 119 L 7.55 4.91 0.00 1.81 1.64 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.32 4.99 0.00 2.08 1.98 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 2.37 2.44 0.00 121 I 9.35 5.63 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.92 1.01 0.00 0.00 122 E 8.93 5.09 0.00 2.14 2.19 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 2.38 2.35 0.00 123 A 8.74 5.28 1.25 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 0.00 124 I 8.65 4.71 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.63 0.28 0.00 0.00 125 A 8.81 5.25 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 0.00 126 V 8.42 4.73 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 0.64 0.00 0.00 0.96 0.00 0.00 127 R 9.26 4.06 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 128 S 7.69 4.15 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.