NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4542 8.3344 115.4118 58.3976 64.5828 171.9868 16 Q 4.3198 8.9590 122.2551 53.8713 31.6369 172.5345 17 N 5.2521 8.5129 121.8930 52.3027 42.0433 172.8297 18 F 5.0846 9.2308 124.6579 55.1749 43.1481 174.9306 19 L 4.5822 8.6753 120.3339 55.1221 42.4581 176.4381 20 F 4.9034 8.8922 123.4655 56.8289 43.0755 173.6068 21 G 3.6990 7.0217 109.7812 45.7791 0.0000 171.4041 22 C 4.4922 7.9316 113.9350 57.0127 33.3681 172.2262 23 E 4.7606 8.5269 119.9738 54.2360 31.9955 174.7744 24 L 4.9800 8.7967 126.2344 52.8415 45.1721 175.6833 25 K 4.7550 8.6603 120.4722 55.3204 36.0297 176.5742 26 A 4.1284 8.6981 123.1205 54.1399 18.7329 180.0514 27 D 4.6733 8.2391 109.6621 53.8369 40.4801 180.3918 28 K 4.1405 8.7096 131.4984 57.7195 30.2335 176.5051 29 K 4.5107 8.3253 124.3711 57.1290 33.1026 176.1722 30 E 5.2610 8.0932 118.7200 54.4952 33.1730 174.5083 31 Y 4.7234 9.1290 123.8884 55.7920 42.1716 173.9744 32 S 4.9228 7.8752 120.9311 56.5601 63.8598 172.4698 33 F 4.8619 9.1317 130.6755 56.4309 41.4441 174.7232 *35 V 3.7723 8.2776 118.2837 61.2225 32.6867 174.4452 36 E 4.3652 8.5697 124.6780 54.4251 31.0324 175.2680 37 D 4.6514 8.4316 125.4193 52.3752 39.3824 175.0015 38 D 4.7640 8.1631 122.2412 52.9652 44.3787 174.5251 39 E 4.5190 8.7218 121.3059 56.2187 29.9047 175.7537 40 N 5.0989 8.1006 116.0570 51.1768 42.0433 173.4567 41 E 4.4657 8.4252 120.9038 55.5819 30.9606 174.5708 42 H 5.3389 8.6320 121.5735 54.2714 31.9440 173.2744 43 Q 4.8378 8.8996 119.9539 54.3301 33.5778 173.8193 44 L 4.4767 8.6113 123.3311 53.3207 43.6554 175.3970 45 S 5.0570 8.7589 119.6307 56.5980 64.2909 172.7373 46 L 4.2375 8.8061 128.5683 54.6301 42.5171 176.2149 47 R 4.6468 9.4649 122.3575 56.5961 31.9445 175.5577 48 T 5.2197 8.3099 108.2576 59.9337 73.0549 172.4034 49 V 5.0776 8.7371 122.9417 61.2741 34.5477 174.4652 50 S 5.1553 9.0247 120.9672 57.1166 66.7619 172.7804 51 L 4.8109 8.2865 122.2978 53.6707 42.9396 177.1606 52 G 4.1126 9.2067 111.6013 45.3563 0.0000 174.4596 53 A 4.1286 8.8229 122.8180 54.8720 18.3410 178.7040 54 S 4.6592 7.9552 107.4224 58.0483 63.4372 173.7698 55 A 4.8454 7.4749 122.7721 51.1701 19.1085 178.7160 56 K 4.2330 8.0582 121.1607 56.5588 32.9341 177.6527 57 D 4.8594 8.3124 122.6054 52.8097 38.8887 173.9814 58 E 4.7214 7.8244 120.2635 54.7179 34.0703 174.1401 59 L 4.7519 8.3800 121.8531 54.7457 43.1456 175.2699 60 H 5.1509 9.6238 123.4429 53.9612 32.2176 173.1382 61 V 4.9222 8.3711 121.6163 61.1069 34.4324 174.0950 62 V 4.9441 8.4848 128.0208 61.2469 33.4070 174.3056 63 E 5.3192 9.6277 125.1662 54.4473 33.2889 174.4293 64 A 5.2371 8.8464 121.7744 50.1084 22.5487 174.6965 65 E 4.9679 9.1484 122.3558 54.4962 32.8757 175.2824 66 G 4.5260 8.4717 112.5616 45.7582 0.0000 171.9541 67 I 4.6400 8.4246 113.9762 60.2750 39.0065 176.3669 68 N 4.8143 9.0822 123.3951 52.3492 38.5335 174.9550 69 Y 4.3760 8.8635 114.9937 59.2232 38.2952 175.9289 70 E 3.9013 7.9200 119.2186 55.6451 29.5187 176.4586 71 G 3.9213 7.8073 105.5220 45.9686 0.0000 173.4821 72 K 4.1806 7.8860 121.5600 55.7001 33.2565 176.4477 73 T 4.3842 8.6764 124.1962 64.5725 68.9463 173.1609 74 I 4.7746 9.0169 125.7603 59.0857 42.2026 173.7993 75 K 5.2968 8.6752 124.7189 54.4552 35.1635 175.6176 76 I 4.7001 8.7259 117.2863 58.8323 40.8811 174.3842 77 A 4.5096 8.6631 127.4557 51.9751 18.2637 177.2199 78 L 4.3253 9.0099 123.9844 57.8289 42.5881 177.8460 79 A 4.5964 7.6517 116.9382 51.0537 22.4878 175.2122 80 S 5.3365 8.7672 117.0584 56.8461 65.5327 173.6795 81 L 4.9742 8.8458 122.9365 53.3955 46.7399 175.2011 82 K 4.9305 8.6791 121.4017 55.1046 35.5011 174.7630 83 P 4.2613 0.0000 0.0000 65.8351 31.3316 177.6081 84 S 4.4126 7.9981 109.3396 59.2256 63.6186 174.6501 85 V 4.1697 7.4654 119.1032 64.3138 33.5187 175.2761 86 Q 4.5535 8.3103 119.7230 54.9833 30.6107 171.8288 87 P 4.6027 0.0000 0.0000 64.1565 32.9067 176.1114 88 T 5.0809 7.7947 116.0669 61.7102 72.4848 173.2118 89 V 4.3838 8.9744 125.1325 61.1253 34.3404 174.0924 90 S 4.9761 8.7182 122.9266 57.5686 62.7250 173.5387 91 L 4.2484 9.4579 127.4982 54.0569 42.1432 177.8157 92 G 3.7517 8.7201 106.5933 46.0950 0.0000 173.7892 93 G 3.7018 8.2826 105.1037 46.2932 0.0000 174.4976 94 F 4.5601 8.6124 121.4899 57.5627 40.3020 174.7887 95 E 4.8774 8.8047 126.1083 55.9243 30.5618 176.4050 96 I 4.7628 9.0890 124.2858 59.8617 41.3617 174.4481 97 T 4.8603 8.6504 123.3891 61.6801 69.3531 173.3249 98 P 4.0411 0.0000 0.0000 61.5352 32.0017 174.1246 99 P 4.2440 0.0000 0.0000 62.3266 32.4050 175.7299 100 V 4.7390 7.9109 120.4648 61.6974 35.4784 173.0586 101 I 4.9805 8.7582 128.0618 59.7985 39.4470 174.4403 102 L 5.1665 8.9815 126.9165 53.2935 44.1276 175.5796 103 R 5.0391 9.0350 122.6756 54.9642 34.1935 173.9185 104 L 4.6819 8.3833 128.2385 53.7354 40.7101 175.8031 105 K 4.2861 8.6560 127.3643 58.9544 33.0381 176.3782 106 S 4.5477 7.9838 112.2253 57.7239 66.6042 174.8559 107 G 4.0554 8.7697 105.2396 45.2835 0.0000 174.0337 108 S 4.0631 8.8005 114.1240 59.8194 63.5787 175.9039 109 G 4.1796 8.2385 109.4022 43.2397 0.0000 170.1338 110 P 4.6487 0.0000 0.0000 62.7279 32.8941 175.4317 111 V 4.7083 8.6687 121.9024 61.4113 34.3977 173.8211 112 Y 5.0353 9.3963 125.3439 56.3806 40.7467 174.7406 113 V 5.0861 8.6926 122.4011 61.1692 34.8305 174.4864 114 S 5.0190 9.5917 121.1560 56.5321 66.9673 174.0558 115 G 3.9039 7.4906 105.7376 46.3782 0.0000 171.3731 116 Q 5.1376 8.3821 118.3515 54.3678 32.5475 174.6564 117 H 5.1158 9.4958 123.5053 54.8447 31.6053 172.9155 118 L 5.2751 8.9028 126.7972 53.2444 44.4281 177.2698 119 V 4.5718 8.5173 121.0793 62.2390 32.0600 174.8667 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 15 S 8.33 4.45 0.00 4.22 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 16 Q 8.96 4.32 0.00 2.30 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 17 N 8.51 5.25 0.00 2.60 2.48 0.00 0.00 6.79 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 18 F 9.23 5.08 0.00 3.08 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 19 L 8.68 4.58 0.00 1.58 1.62 0.93 0.75 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 20 F 8.89 4.90 0.00 3.14 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 G 7.02 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 0.00 0.00 0.00 22 C 7.93 4.49 0.00 2.54 1.96 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 23 E 8.53 4.76 0.00 1.89 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 1.87 1.47 0.00 24 L 8.80 4.98 0.00 1.46 1.47 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.66 4.76 0.00 1.72 1.77 0.00 1.25 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.50 7.81 26 A 8.70 4.13 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 27 D 8.24 4.67 0.00 2.65 1.93 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 28 K 8.71 4.14 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.48 7.81 29 K 8.33 4.51 0.00 1.76 1.84 0.00 1.93 0.00 0.00 1.91 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.72 7.81 30 E 8.09 5.26 0.00 1.81 1.81 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 2.21 2.27 0.00 31 Y 9.13 4.72 0.00 3.10 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 32 S 7.88 4.92 0.00 3.78 3.54 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 33 F 9.13 4.86 0.00 3.12 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 *35 V 8.28 3.77 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 0.61 0.00 0.00 0.85 0.00 0.00 36 E 8.57 4.37 0.00 1.74 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 2.14 2.29 0.00 37 D 8.43 4.65 0.00 2.81 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 38 D 8.16 4.76 0.00 2.77 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 39 E 8.72 4.52 0.00 1.99 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 2.27 2.39 0.00 40 N 8.10 5.10 0.00 2.85 2.64 0.00 0.00 6.80 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 41 E 8.43 4.47 0.00 2.01 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 2.36 2.35 0.00 42 H 8.63 5.34 0.00 3.16 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.90 4.84 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 44 L 8.61 4.48 0.00 0.86 1.01 -0.30 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.76 5.06 0.00 3.86 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 46 L 8.81 4.24 0.00 1.64 1.57 0.68 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.46 4.65 0.00 1.86 1.86 0.00 3.25 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 48 T 8.31 5.22 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 1.23 0.00 0.00 49 V 8.74 5.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 50 S 9.02 5.16 0.00 3.93 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 51 L 8.29 4.81 0.00 1.57 1.61 0.86 0.65 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 52 G 9.21 4.11 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 0.00 0.00 0.00 53 A 8.82 4.13 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 54 S 7.96 4.66 0.00 4.00 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 55 A 7.47 4.85 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 56 K 8.06 4.23 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.40 7.81 57 D 8.31 4.86 0.00 2.68 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 58 E 7.82 4.72 0.00 2.01 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 2.47 2.19 0.00 59 L 8.38 4.75 0.00 1.69 1.61 0.94 0.94 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 60 H 9.62 5.15 0.00 3.01 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.37 4.92 2.09 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 0.96 0.00 0.00 0.95 0.00 0.00 62 V 8.48 4.94 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 1.07 0.00 0.00 0.95 0.00 0.00 63 E 9.63 5.32 0.00 2.17 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 2.18 2.23 0.00 64 A 8.85 5.24 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 65 E 9.15 4.97 0.00 1.99 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 2.18 2.35 0.00 66 G 8.47 4.53 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 0.00 0.00 0.00 67 I 8.42 4.64 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 0.67 0.96 0.00 0.00 68 N 9.08 4.81 0.00 3.12 3.12 0.00 0.00 6.62 7.16 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 69 Y 8.86 4.38 0.00 3.14 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 70 E 7.92 3.90 0.00 1.63 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 2.08 2.04 0.00 71 G 7.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.89 4.18 0.00 1.87 1.80 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 73 T 8.68 4.38 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 74 I 9.02 4.77 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 1.00 0.00 0.00 75 K 8.68 5.30 0.00 1.65 1.67 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 76 I 8.73 4.70 1.95 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 1.37 0.76 0.98 0.00 0.00 77 A 8.66 4.51 1.28 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 78 L 9.01 4.33 0.00 1.66 1.75 0.80 0.77 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 79 A 7.65 4.60 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 80 S 8.77 5.34 0.00 3.75 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 81 L 8.85 4.97 0.00 1.60 1.68 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.68 4.93 0.00 1.86 1.61 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.52 7.81 83 P 0.00 4.26 0.00 2.21 2.13 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 84 S 8.00 4.41 0.00 3.98 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 85 V 7.47 4.17 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.31 4.55 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 87 P 0.00 4.60 0.00 2.16 2.28 0.00 3.69 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 2.07 2.00 0.00 88 T 7.79 5.08 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 1.27 0.00 0.00 89 V 8.97 4.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 90 S 8.72 4.98 0.00 3.93 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 91 L 9.46 4.25 0.00 1.82 1.89 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.72 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 93 G 8.28 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 0.00 0.00 0.00 94 F 8.61 4.56 0.00 3.12 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 95 E 8.80 4.88 0.00 1.96 1.91 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 2.33 2.38 0.00 96 I 9.09 4.76 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 1.00 0.00 0.00 97 T 8.65 4.86 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 98 P 0.00 4.04 0.00 1.53 0.49 0.00 3.90 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 99 P 0.00 4.24 0.00 1.98 1.94 0.00 3.01 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 100 V 7.91 4.74 2.36 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 1.00 0.00 0.00 1.05 0.00 0.00 101 I 8.76 4.98 1.88 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 0.77 0.93 0.00 0.00 102 L 8.98 5.17 0.00 1.73 1.63 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.03 5.04 0.00 1.83 1.71 0.00 3.31 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 104 L 8.38 4.68 0.00 1.72 1.59 1.00 0.76 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 0.00 105 K 8.66 4.29 0.00 1.86 1.83 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.40 7.81 106 S 7.98 4.55 0.00 3.85 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 0.00 107 G 8.77 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.80 4.06 0.00 4.05 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 0.00 109 G 8.24 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 0.00 0.00 0.00 0.00 110 P 0.00 4.65 0.00 1.57 2.15 0.00 3.66 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 2.18 2.01 0.00 111 V 8.67 4.71 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 0.89 0.00 0.00 0.89 0.00 0.00 112 Y 9.40 5.04 0.00 2.95 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 0.00 113 V 8.69 5.09 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 1.11 0.00 0.00 0.96 0.00 0.00 114 S 9.59 5.02 0.00 3.81 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 0.00 115 G 7.49 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 0.00 116 Q 8.38 5.14 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 117 H 9.50 5.12 0.00 3.29 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.90 5.28 0.00 1.67 1.59 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.52 4.57 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 1.21 0.00 0.00 1.29 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.