NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3420 8.2493 123.5841 52.4496 18.7528 175.8750 2 T 4.6258 7.9525 108.8868 60.3106 70.8851 172.3317 3 K 5.3622 8.2601 123.2972 55.2327 37.4429 176.0865 4 A 5.4093 9.3795 124.6418 50.9844 23.4990 175.0914 5 V 5.0175 8.7077 117.2266 60.7923 35.3793 173.3162 6 C 4.9672 9.3471 122.5633 57.8306 35.3447 172.6660 7 V 4.6085 8.3977 125.8311 61.4793 32.7444 174.2444 8 L 4.8780 8.7276 129.3579 54.1165 43.0871 176.3596 9 K 4.7173 9.1080 122.0645 55.3886 37.1572 176.2010 10 G 4.2146 8.0758 108.5386 44.9962 0.0000 171.6721 11 D 4.5295 8.7445 117.1912 54.8557 41.9276 176.6385 12 G 4.4105 7.5407 107.7993 44.1158 0.0000 171.2199 13 P 4.4480 0.0000 0.0000 63.2699 31.9225 175.6410 14 V 4.2177 7.5345 120.4845 63.4379 32.0367 175.1129 15 Q 4.9031 8.2144 126.0061 54.1079 33.6960 174.0970 16 G 4.2615 8.0520 107.9116 46.1243 0.0000 171.8213 17 I 5.1169 8.0855 119.5973 59.4131 41.1185 174.9566 18 I 4.5201 8.8792 127.6101 59.4809 40.2453 174.4301 19 N 5.0106 8.2876 124.2399 51.4898 41.0981 173.9833 20 F 5.4676 9.1799 119.9316 55.8280 43.3124 173.6994 21 E 5.2631 9.6276 122.8474 54.8576 33.0715 174.2867 22 Q 4.7379 9.7376 127.9127 54.6578 30.6516 175.2143 23 K 4.1272 8.9902 128.7421 58.8128 32.6427 178.3824 24 E 4.6956 7.7805 113.5005 53.3334 33.4212 179.0228 25 S 4.0700 8.7794 120.0333 59.8346 62.9244 175.7310 26 N 4.6372 9.0983 125.6307 53.1331 36.5946 174.8270 27 G 3.8975 8.1770 105.6559 44.6491 0.0000 171.0784 28 P 4.6035 0.0000 0.0000 62.9243 32.6008 175.9306 29 V 4.6447 8.4654 120.8018 61.2054 33.9244 174.7513 30 K 4.9092 9.3748 128.6440 56.1145 33.7834 176.2518 31 V 4.8989 9.0778 124.3583 60.8980 34.4562 174.2030 32 W 5.4335 8.4351 124.0809 54.8130 31.9084 175.5281 33 G 3.6361 7.5603 106.9718 46.3456 0.0000 170.8051 34 S 5.0649 7.5747 114.1370 56.9962 66.6073 174.4956 35 I 5.1438 8.6264 126.3938 59.4277 41.0063 174.7370 36 K 4.7369 9.2703 125.8010 55.3862 36.1658 176.7232 37 G 3.6590 8.6101 104.6455 46.8712 0.0000 173.4466 38 L 4.5312 7.5894 119.7066 52.7699 43.4188 176.2658 39 T 4.2333 8.0758 110.4208 60.8050 69.7093 174.2597 40 E 4.0716 8.6096 124.2058 58.0363 30.2414 175.3765 41 G 3.7359 8.5116 109.6982 43.8447 0.0000 172.3942 42 L 4.7566 8.1495 118.4054 54.9157 42.7461 176.7406 43 H 4.8591 9.3532 119.5956 53.6304 33.1479 173.2210 44 G 4.1261 9.1151 110.9109 47.0707 0.0000 172.3170 45 F 5.6085 9.1896 125.2678 56.7299 42.3942 173.4565 46 R 4.8548 8.7933 124.5941 54.4972 35.2039 174.4169 47 V 4.4701 8.5253 122.2619 62.4095 32.9109 174.8813 48 H 5.2107 9.6530 126.0657 54.1405 30.9416 175.5035 49 E 3.6663 8.9304 122.5913 58.9303 29.7961 177.1855 50 F 4.8810 8.2269 118.1907 54.7821 41.5516 177.0097 51 G 4.2843 8.2898 112.9594 44.2041 0.0000 174.3819 52 D 4.8016 7.8552 117.0449 52.8472 42.5901 174.6288 53 N 5.3006 8.7211 124.3833 52.3074 39.2485 176.5631 54 T 3.9504 8.6159 111.5772 63.8318 69.3180 174.0546 55 A 4.6907 7.9686 125.8007 51.3640 19.6599 176.0523 56 G 4.0236 7.9809 111.6848 46.9885 0.0000 174.7701 57 C 4.2282 8.4743 115.5585 62.5293 28.0150 175.7917 58 T 3.9782 7.5612 117.0401 66.3092 67.8389 176.0005 59 S 4.5045 7.9130 112.5942 59.4111 63.5267 175.2431 60 A 4.5089 7.4400 126.1541 53.8673 18.3108 178.6006 61 G 3.9737 7.9379 104.7502 43.9287 0.0000 170.8759 62 P 4.6908 0.0000 0.0000 62.0096 33.6929 175.0973 63 H 4.3051 8.4175 116.7539 55.8423 29.1570 175.7009 64 F 4.1985 9.0287 128.5437 59.0752 40.3750 175.6265 *65 N 4.6085 8.5392 119.4072 52.0807 39.3513 171.3822 *78 E 4.1266 8.1901 118.1230 56.3146 30.7905 175.2718 79 R 4.5378 8.1081 121.4260 55.3453 32.9047 173.8829 80 H 4.9655 9.0422 122.6462 53.4471 31.4111 175.9511 81 V 3.4477 8.1572 121.1140 64.6621 31.2232 177.3444 82 G 3.8469 8.3287 107.9593 45.9195 0.0000 173.1035 83 D 4.7941 7.8471 120.9801 53.2878 39.3351 176.2822 84 L 4.2391 8.1864 124.8895 55.6758 43.2465 178.1387 85 G 4.1654 8.2632 103.6250 44.1590 0.0000 173.0105 86 N 5.5978 8.5746 120.7397 51.4937 41.9215 174.0459 87 V 4.2386 8.7411 115.2620 60.2956 34.9408 174.9967 88 T 4.9995 8.1467 118.0050 61.8375 71.3931 173.1128 89 A 4.7569 8.9654 129.6965 51.1121 20.5935 177.2896 90 D 5.0139 8.7502 122.6767 51.8543 41.6130 177.1644 91 K 3.9733 8.4928 117.1553 59.9329 32.5208 177.2791 92 D 4.5017 8.4654 117.8918 54.3318 41.1703 176.8932 93 G 3.9737 8.7053 108.6330 44.6545 0.0000 172.5936 94 V 4.8768 7.9209 118.8102 60.5583 34.4453 173.9440 95 A 5.3629 8.8652 129.9074 49.5396 21.0368 174.9252 96 D 4.8476 8.6738 122.9617 53.9659 42.2449 176.2350 97 V 4.2583 8.8944 123.8993 61.2469 34.0177 174.8732 98 S 4.9778 8.4442 122.5972 57.8269 63.9502 172.8826 99 I 4.8362 9.2966 128.2956 59.4244 41.4553 174.3399 100 E 5.1740 8.8612 124.0170 54.6927 32.1837 174.9970 101 D 4.7873 9.0941 123.1269 52.9003 44.4169 175.7270 102 S 4.6515 8.9876 120.5259 58.5870 63.7402 175.0050 103 V 3.9270 8.5737 121.8599 64.9111 31.7092 176.5856 104 I 4.2110 7.8266 111.0523 60.5863 38.6678 174.1291 105 S 4.6891 8.5534 114.0065 57.3082 65.5038 173.9480 106 L 4.4733 9.1307 121.9519 54.2612 41.6101 176.2275 107 S 4.5483 7.7893 112.7717 57.4859 66.9465 175.1495 108 G 3.8571 8.5744 107.7560 45.5767 0.0000 174.2503 109 D 4.3968 8.9093 117.9730 56.6868 39.8716 176.9361 110 H 5.0360 8.0769 115.4145 55.3417 28.9819 174.1010 111 C 4.6010 7.9018 120.4974 59.9158 31.7540 173.5005 112 I 3.8345 8.1096 118.9822 60.3258 38.0580 175.6353 113 I 3.6669 7.2505 123.0677 62.9246 37.3346 176.2212 114 G 3.7877 9.3977 113.0738 45.5704 0.0000 172.8954 115 R 4.7103 7.4431 119.3770 54.6417 33.7513 174.5075 116 T 4.9415 7.9517 115.6259 62.0601 71.4822 173.5947 117 L 4.9077 8.4836 128.3267 53.8736 44.0600 175.3568 118 V 4.9637 8.8469 125.7216 60.9998 35.5001 174.1190 119 V 5.0397 8.5484 126.5949 60.5319 33.3728 174.7846 120 H 5.1973 9.2975 122.9534 54.4143 30.0823 175.1918 121 E 4.1938 9.4742 122.5399 59.1034 29.9719 177.2369 122 K 4.6739 7.9778 117.2470 54.1919 35.1758 176.0871 123 A 4.4629 8.3296 124.2161 51.9729 19.0048 177.1030 124 D 4.3358 10.4136 123.8956 56.4538 41.8410 177.1483 125 D 4.3289 8.3421 123.0110 54.0420 37.4948 174.0485 *142 S 4.7606 7.9120 120.4761 59.0467 65.9928 174.2802 143 R 4.4152 7.9283 118.5044 55.3786 29.6841 176.7294 144 L 4.3290 8.8796 125.7512 57.3293 43.0995 177.1167 145 A 5.0153 7.7479 117.9112 51.3293 22.8823 174.8002 146 C 5.2110 8.7350 113.8520 58.5205 33.8345 172.6524 147 G 4.6221 8.1550 104.1597 46.2078 0.0000 172.3306 148 V 4.5404 8.2112 120.6994 61.9559 32.9442 175.5020 149 I 4.1252 9.1279 129.5844 61.0265 37.9669 175.3291 150 G 4.4168 8.7867 114.3720 43.8134 0.0000 172.0528 151 I 4.4053 8.3223 121.4160 61.2300 37.5908 175.5266 152 A 4.8070 8.6359 128.0278 49.7856 22.2163 176.1889 153 Q 4.0787 8.4905 118.6415 56.4351 29.2275 175.7464 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 A 8.25 4.34 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 2 T 7.95 4.63 4.41 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 1.24 0.00 0.00 3 K 8.26 5.36 0.00 1.88 1.75 0.00 1.88 0.00 0.00 2.01 0.00 0.00 2.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 A 9.38 5.41 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 5 V 8.71 5.02 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 0.60 0.00 0.00 0.93 0.00 0.00 6 C 9.35 4.97 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.40 4.61 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.73 4.88 0.00 1.66 1.59 1.05 0.50 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 9 K 9.11 4.72 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.08 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 0.00 0.00 0.00 0.00 11 D 8.74 4.53 0.00 2.62 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 12 G 7.54 4.41 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 0.00 13 P 0.00 4.45 0.00 2.22 2.29 0.00 3.70 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 2.25 1.94 0.00 14 V 7.53 4.22 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 0.78 0.00 0.00 0.97 0.00 0.00 15 Q 8.21 4.90 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 16 G 8.05 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 0.00 0.00 0.00 0.00 17 I 8.09 5.12 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.48 0.81 0.00 0.00 18 I 8.88 4.52 1.81 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 1.23 1.27 0.44 0.00 0.00 19 N 8.29 5.01 0.00 1.44 1.50 0.00 0.00 6.40 8.14 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 20 F 9.18 5.47 0.00 2.85 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 21 E 9.63 5.26 0.00 2.42 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 0.00 2.31 2.55 0.00 22 Q 9.74 4.74 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 23 K 8.99 4.13 0.00 2.07 1.88 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.00 7.81 24 E 7.78 4.70 0.00 1.92 1.66 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 2.11 1.83 0.00 25 S 8.78 4.07 0.00 3.85 3.80 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 26 N 9.10 4.64 0.00 2.96 2.84 0.00 0.00 6.70 7.51 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 27 G 8.18 3.90 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 0.00 0.00 0.00 28 P 0.00 4.60 0.00 1.99 2.07 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 29 V 8.47 4.64 2.23 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 1.26 0.00 0.00 1.07 0.00 0.00 30 K 9.37 4.91 0.00 1.98 1.83 0.00 1.63 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.48 1.46 7.81 31 V 9.08 4.90 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 0.81 0.00 0.00 1.15 0.00 0.00 32 W 8.44 5.43 0.00 3.52 3.19 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 33 G 7.56 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.57 5.06 0.00 3.81 3.62 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 35 I 8.63 5.14 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.89 0.00 0.00 36 K 9.27 4.74 0.00 1.72 1.89 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.34 7.81 37 G 8.61 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 38 L 7.59 4.53 0.00 1.67 1.40 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.08 4.23 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 40 E 8.61 4.07 0.00 1.95 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 2.30 2.47 0.00 41 G 8.51 3.74 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 0.00 0.00 0.00 42 L 8.15 4.76 0.00 1.52 1.59 0.92 0.94 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 43 H 9.35 4.86 0.00 3.01 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.19 5.61 0.00 3.03 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 46 R 8.79 4.85 0.00 1.80 1.69 0.00 2.73 0.00 0.00 2.85 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 47 V 8.53 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 0.90 0.00 0.00 48 H 9.65 5.21 0.00 3.00 3.43 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.93 3.67 0.00 1.68 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 1.47 2.14 0.00 50 F 8.23 4.88 0.00 3.02 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 51 G 8.29 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.86 4.80 0.00 2.63 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 53 N 8.72 5.30 0.00 2.71 2.77 0.00 0.00 7.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.62 3.95 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 1.23 0.00 0.00 55 A 7.97 4.69 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 56 G 7.98 4.02 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 0.00 0.00 0.00 57 C 8.47 4.23 0.00 2.95 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 58 T 7.56 3.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 S 7.91 4.50 0.00 4.12 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 60 A 7.44 4.51 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 61 G 7.94 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 62 P 0.00 4.69 0.00 2.05 2.21 0.00 3.76 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 2.02 2.03 0.00 63 H 8.42 4.31 0.00 2.56 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.03 4.20 0.00 2.88 2.98 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 *65 N 8.54 4.61 0.00 2.53 2.62 0.00 0.00 6.86 7.66 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 *78 E 8.19 4.13 0.00 2.22 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 2.21 1.88 0.00 79 R 8.11 4.54 0.00 1.66 1.69 0.00 3.18 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 80 H 9.04 4.97 0.00 3.47 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.16 3.45 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 0.06 0.00 0.00 0.60 0.00 0.00 82 G 8.33 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 83 D 7.85 4.79 0.00 2.77 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 84 L 8.19 4.24 0.00 1.96 1.94 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.26 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 0.00 0.00 0.00 0.00 86 N 8.57 5.60 0.00 2.59 2.71 0.00 0.00 6.68 7.68 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 87 V 8.74 4.24 1.82 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 -0.18 0.00 0.00 0.84 0.00 0.00 88 T 8.15 5.00 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 1.20 0.00 0.00 89 A 8.97 4.76 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 90 D 8.75 5.01 0.00 2.89 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 91 K 8.49 3.97 0.00 2.14 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.03 7.81 92 D 8.47 4.50 0.00 2.85 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 93 G 8.71 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 94 V 7.92 4.88 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 1.10 0.00 0.00 0.92 0.00 0.00 95 A 8.87 5.36 1.14 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 0.00 0.00 96 D 8.67 4.85 0.00 2.56 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 97 V 8.89 4.26 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 0.75 0.00 0.00 0.60 0.00 0.00 98 S 8.44 4.98 0.00 3.91 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 99 I 9.30 4.84 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 1.02 0.00 0.00 100 E 8.86 5.17 0.00 1.85 1.88 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 2.25 2.29 0.00 101 D 9.09 4.79 0.00 2.85 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 0.00 102 S 8.99 4.65 0.00 3.92 3.90 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 0.00 103 V 8.57 3.93 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 0.81 0.00 0.00 0.95 0.00 0.00 104 I 7.83 4.21 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.02 0.00 0.00 105 S 8.55 4.69 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.13 4.47 0.00 1.77 1.62 0.97 0.58 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 0.00 107 S 7.79 4.55 0.00 3.96 3.80 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 0.00 108 G 8.57 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 0.00 109 D 8.91 4.40 0.00 2.83 2.83 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 0.00 110 H 8.08 5.04 0.00 3.31 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.90 4.60 0.00 3.05 2.82 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 0.00 112 I 8.11 3.83 1.58 0.00 0.00 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 1.29 0.16 0.96 0.00 0.00 113 I 7.25 3.67 1.77 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 1.21 0.36 0.83 0.00 0.00 114 G 9.40 3.79 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 R 7.44 4.71 0.00 1.61 1.76 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 116 T 7.95 4.94 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 1.21 0.00 0.00 117 L 8.48 4.91 0.00 1.80 1.53 0.44 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.85 4.96 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 0.74 0.00 0.00 0.73 0.00 0.00 119 V 8.55 5.04 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 0.77 0.00 0.00 0.99 0.00 0.00 120 H 9.30 5.20 0.00 3.08 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.47 4.19 0.00 1.97 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 0.00 2.36 2.35 0.00 122 K 7.98 4.67 0.00 1.73 1.70 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.38 7.81 123 A 8.33 4.46 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 0.00 124 D 10.41 4.34 0.00 2.51 2.66 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 0.00 125 D 8.34 4.33 0.00 2.81 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 *142 S 7.91 4.76 0.00 3.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.93 4.42 0.00 1.65 1.79 0.00 3.24 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 144 L 8.88 4.33 0.00 1.62 1.70 0.94 0.40 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 0.00 145 A 7.75 5.02 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 0.00 146 C 8.73 5.21 0.00 2.94 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 0.00 147 G 8.15 4.62 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 0.00 0.00 0.00 148 V 8.21 4.54 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 0.77 0.00 0.00 0.96 0.00 0.00 149 I 9.13 4.13 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.38 0.40 0.00 0.00 150 G 8.79 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 0.00 151 I 8.32 4.41 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.91 0.00 0.00 152 A 8.64 4.81 1.18 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 0.00 0.00 153 Q 8.49 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.