NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4741 8.2027 122.0176 56.1093 30.9745 173.1670 3 V 4.7178 8.3808 122.5548 60.7419 34.4217 173.2960 4 R 4.7410 10.2643 126.5599 54.5041 34.7825 173.8685 5 Q 5.1854 8.5573 121.5989 53.5014 30.7042 175.5850 6 S 4.0459 9.2896 119.0704 61.5021 61.9510 173.5854 7 P 4.4436 0.0000 0.0000 62.3548 29.8258 176.8063 8 Q 3.7971 8.5092 122.3016 59.1820 28.6330 177.4696 9 S 4.6383 7.2370 108.5940 57.4398 66.1066 174.9855 10 L 4.7673 8.5953 127.1214 53.9385 45.8567 174.6278 11 T 5.1243 8.3944 121.1957 61.8556 71.8882 173.4176 12 V 4.1174 8.6013 124.8992 60.7763 35.7911 173.8918 13 W 5.1403 8.6781 126.7917 56.6080 30.1815 175.0202 14 E 3.7640 9.3539 124.8884 56.9798 29.4947 177.2934 15 G 4.0962 8.8625 115.8665 46.0279 0.0000 173.8950 16 E 4.5113 7.9273 119.0744 56.0226 31.0985 174.7085 17 T 5.0868 8.2932 117.4012 62.5792 71.0123 173.7771 18 A 4.3491 8.7411 129.8680 51.1143 20.0704 175.7606 19 I 4.5619 8.2453 123.7096 59.7204 39.2445 175.3187 20 L 4.9391 8.6087 126.5514 53.0559 45.0627 175.2633 21 N 5.6640 8.7036 117.7806 52.0963 42.7247 173.8318 22 C 5.5868 9.3651 120.2874 56.0202 43.3853 172.7442 23 S 5.2349 9.4208 118.0308 57.7601 66.3498 172.3078 24 Y 5.4083 7.9209 118.3437 55.5201 41.3906 174.2458 25 E 4.7767 8.6050 115.6395 55.5445 29.5914 176.8584 26 N 4.7832 8.4538 117.3568 51.8965 39.6647 174.0382 27 S 4.4079 8.7238 117.9396 60.0391 63.3875 175.8979 28 A 4.1838 7.6728 123.3171 53.4119 18.7904 177.2188 29 F 4.9312 8.3182 116.5688 57.6790 39.2876 174.7789 30 D 5.0815 8.9130 122.6435 51.5054 41.8373 174.5370 31 Y 5.1936 7.3482 120.5436 55.7986 42.4529 173.9757 32 F 4.7309 9.0978 124.3010 53.9098 42.5557 171.5345 33 P 5.0744 0.0000 0.0000 60.8057 33.8366 174.2285 34 W 5.2789 9.2150 123.3879 55.6265 31.0803 174.8586 35 Y 5.2195 9.6663 122.6779 56.4237 40.7041 174.3673 36 Q 4.8743 9.8624 124.5895 54.3530 32.0679 173.8272 37 Q 4.6477 8.7707 128.0638 54.2888 31.8494 174.0539 38 F 5.2683 8.4411 125.4813 55.2641 41.1111 173.7340 39 P 4.3772 0.0000 0.0000 64.7327 31.2011 175.6306 40 G 4.1015 9.2866 110.0346 45.1784 0.0000 172.4643 41 E 4.7258 7.7777 117.0547 53.9240 32.9144 175.0852 42 G 4.0301 8.2918 107.6230 45.0856 0.0000 171.6530 43 P 5.0404 0.0000 0.0000 62.5513 32.3644 176.1640 44 A 4.9029 8.8712 121.9566 50.1652 23.0335 175.4912 45 L 3.7083 8.5348 123.8303 55.4978 42.0816 175.4774 46 L 4.3697 8.9784 129.7811 56.1358 42.4002 175.9249 47 I 4.8891 7.3110 117.8829 59.4769 41.7413 173.7405 48 S 5.2990 8.7765 119.5976 56.6739 66.1375 172.8539 49 I 4.8099 8.5765 120.8490 59.4700 41.5457 173.7162 50 L 5.4223 8.2511 125.4745 52.8720 43.6709 177.7374 51 S 3.2781 9.0228 117.0445 60.7955 63.3746 176.8044 52 V 3.5343 8.0018 120.4777 65.8052 31.3712 175.9720 53 S 4.6750 7.2639 111.8469 57.3682 64.9325 173.0608 54 D 5.1277 8.1853 116.1963 51.6858 41.0678 174.6451 55 K 4.9569 7.8189 117.6859 56.8380 35.3423 174.6346 56 K 4.4959 8.2095 125.2467 55.5879 35.4264 174.1183 57 E 5.0965 8.3455 126.3350 55.0709 32.9902 175.6294 58 D 4.3325 9.0946 116.3721 53.7948 43.4052 177.4294 59 G 3.8224 8.0956 116.4919 45.0235 0.0000 173.7452 *61 R 4.2799 8.3067 118.5141 55.7870 33.1142 175.1938 62 F 5.0427 7.2193 118.5995 57.4190 40.4089 174.8701 63 T 5.1789 8.7623 120.0893 62.1031 72.8860 172.9371 64 I 4.5635 8.7697 127.9860 60.2457 39.3805 175.0236 65 F 4.4639 9.7372 126.8885 55.9014 40.6701 173.9927 66 F 4.6727 8.6875 127.3021 56.8756 40.7160 174.2202 67 N 4.5571 7.5105 126.4731 51.3912 38.1644 175.2459 68 K 4.1023 8.0510 121.9748 59.0271 33.7826 176.6735 69 R 4.1385 7.5893 114.4570 56.7874 30.5437 177.4766 70 E 3.7775 8.6503 116.3328 55.8923 28.0483 174.5670 71 K 3.2258 7.0486 117.8611 57.0256 30.2410 173.9203 72 K 4.7756 6.6688 115.7347 55.0644 35.4352 176.4204 73 L 4.7682 8.2051 119.2805 54.9224 46.1327 173.1600 74 S 5.1234 8.8184 118.7648 57.0705 67.1432 172.6962 75 L 4.3879 8.1954 124.5994 53.7369 43.6343 174.5487 76 H 5.1048 9.0643 125.2372 54.7251 30.7294 174.7306 77 I 4.7069 8.9045 125.7081 59.2129 37.3358 174.8055 78 A 4.1640 8.4263 127.7059 52.1745 19.1359 176.5830 79 D 4.8003 8.4909 117.2228 53.3228 38.9927 172.5462 80 S 4.2013 8.8296 120.1501 58.4208 64.1413 173.6581 81 Q 4.5432 8.1028 117.6966 54.8857 31.2698 170.6566 82 P 4.5556 0.0000 0.0000 63.7224 31.3200 174.8603 83 G 3.5160 8.4293 118.0940 45.4942 0.0000 173.0636 84 D 5.1516 7.8873 119.5823 54.5689 41.0590 176.7756 85 S 5.2888 8.3655 114.2618 58.7017 63.7369 174.4229 86 A 4.7492 7.6160 125.1112 52.1458 21.9884 176.5282 87 T 4.5570 8.0210 111.2634 62.9442 70.7684 173.8092 88 Y 5.2720 8.7491 123.9210 56.3526 40.9746 174.6478 89 F 5.3755 9.7512 121.9455 55.9332 42.2753 173.2383 90 C 3.8547 8.7342 123.4236 54.7944 42.6998 172.2618 91 A 4.7132 7.7187 126.9965 49.4361 22.4111 174.1154 92 A 3.8639 7.0514 116.0080 51.2238 22.0588 175.8133 93 S 4.7367 7.7448 113.9493 56.5898 66.7661 172.9178 *98 A 4.8185 8.3702 122.1204 51.6824 19.7767 177.3271 99 N 4.2819 8.7174 116.2541 55.0475 37.4699 175.7889 100 S 4.4514 7.1933 114.3610 57.7656 64.6121 173.9942 101 G 4.0331 8.2854 107.8876 45.6252 0.0000 174.1244 102 T 4.0208 7.6520 109.6458 60.8681 69.2680 173.2240 103 Y 4.4359 8.1160 120.3956 57.3464 38.5656 176.0868 104 Q 4.3015 8.7619 119.4424 56.1045 29.9988 175.9698 105 R 4.6117 8.3632 120.8164 54.6465 33.4181 175.7371 106 F 4.4701 9.0744 123.6447 56.7151 41.1098 173.6060 107 G 4.3670 7.7200 107.8334 44.3731 0.0000 172.4121 108 T 3.9208 8.7686 115.1081 66.5061 68.4435 174.8238 109 G 4.0406 8.5861 108.5401 46.0063 0.0000 172.4427 110 T 4.5102 8.4238 120.8113 62.3654 70.7885 173.9231 111 K 4.5965 8.5250 125.0341 54.8584 34.3330 174.8948 112 L 5.2462 8.8342 127.7774 53.2144 44.8458 174.5860 113 Q 4.8125 8.8191 127.1392 54.3011 31.7680 173.9825 114 V 4.8129 9.9168 127.4868 61.2114 33.0477 175.2725 115 V 3.9993 8.6256 129.7582 61.5170 32.5818 174.4771 116 P 4.8956 0.0000 0.0000 62.4348 31.1686 176.1675 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 Q 8.20 4.47 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 3 V 8.38 4.72 2.21 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 0.87 0.00 0.00 0.80 0.00 0.00 4 R 10.26 4.74 0.00 1.73 1.78 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 5 Q 8.56 5.19 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 6 S 9.29 4.05 0.00 3.91 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 7 P 0.00 4.44 0.00 2.27 2.03 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 8 Q 8.51 3.80 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 S 7.24 4.64 0.00 3.83 3.71 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 10 L 8.60 4.77 0.00 1.77 1.43 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.39 5.12 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 1.32 0.00 0.00 12 V 8.60 4.12 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 0.89 0.00 0.00 0.80 0.00 0.00 13 W 8.68 5.14 0.00 3.61 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 14 E 9.35 3.76 0.00 2.11 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 2.35 2.37 0.00 15 G 8.86 4.10 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 0.00 16 E 7.93 4.51 0.00 2.00 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 2.39 2.58 0.00 17 T 8.29 5.09 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 1.11 0.00 0.00 18 A 8.74 4.35 1.26 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 19 I 8.25 4.56 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.43 0.75 0.00 0.00 20 L 8.61 4.94 0.00 1.53 1.77 1.09 0.37 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 21 N 8.70 5.66 0.00 2.66 2.73 0.00 0.00 6.37 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 22 C 9.37 5.59 0.00 3.11 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 23 S 9.42 5.23 0.00 3.75 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 24 Y 7.92 5.41 0.00 3.37 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 25 E 8.60 4.78 0.00 2.06 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 2.25 2.35 0.00 26 N 8.45 4.78 0.00 2.42 1.89 0.00 0.00 6.78 7.63 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 27 S 8.72 4.41 0.00 4.11 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 28 A 7.67 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.32 4.93 0.00 2.78 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 0.00 0.00 0.00 30 D 8.91 5.08 0.00 2.69 2.86 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 31 Y 7.35 5.19 0.00 2.87 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 0.00 0.00 0.00 0.00 32 F 9.10 4.73 0.00 2.91 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 33 P 0.00 5.07 0.00 1.90 1.79 0.00 3.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 34 W 9.21 5.28 0.00 3.29 3.22 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 35 Y 9.67 5.22 0.00 3.18 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 36 Q 9.86 4.87 0.00 2.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 37 Q 8.77 4.65 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 38 F 8.44 5.27 0.00 3.06 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 39 P 0.00 4.38 0.00 2.20 2.12 0.00 3.94 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 2.05 2.03 0.00 40 G 9.29 4.10 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 0.00 41 E 7.78 4.73 0.00 2.04 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 2.28 2.30 0.00 42 G 8.29 4.03 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 0.00 0.00 0.00 43 P 0.00 5.04 0.00 1.99 2.24 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.19 0.00 44 A 8.87 4.90 1.26 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 45 L 8.53 3.71 0.00 1.13 1.44 0.50 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.98 4.37 0.00 1.50 1.54 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.31 4.89 1.73 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 1.42 0.67 0.89 0.00 0.00 48 S 8.78 5.30 0.00 4.05 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 49 I 8.58 4.81 1.92 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 1.16 1.45 0.95 0.00 0.00 50 L 8.25 5.42 0.00 1.62 1.54 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.02 3.28 0.00 3.99 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 0.00 52 V 8.00 3.53 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 0.84 0.00 0.00 0.93 0.00 0.00 53 S 7.26 4.68 0.00 4.02 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 54 D 8.19 5.13 0.00 2.81 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 55 K 7.82 4.96 0.00 1.45 1.50 0.00 1.22 0.00 0.00 2.10 0.00 0.00 2.60 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.11 0.71 7.81 56 K 8.21 4.50 0.00 1.87 1.59 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.58 1.54 7.81 57 E 8.35 5.10 0.00 1.84 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 2.19 2.22 0.00 58 D 9.09 4.33 0.00 2.66 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 59 G 8.10 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 *61 R 8.31 4.28 0.00 1.00 1.93 0.00 3.70 0.00 0.00 3.14 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 62 F 7.22 5.04 0.00 3.08 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 63 T 8.76 5.18 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 1.42 0.00 0.00 64 I 8.77 4.56 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.05 1.04 0.00 0.00 65 F 9.74 4.46 0.00 2.83 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 66 F 8.69 4.67 0.00 3.09 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 67 N 7.51 4.56 0.00 2.65 2.43 0.00 0.00 6.38 6.67 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 68 K 8.05 4.10 0.00 1.97 1.79 0.00 2.08 0.00 0.00 2.16 0.00 0.00 3.32 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.66 7.81 69 R 7.59 4.14 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 70 E 8.65 3.78 0.00 2.06 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 2.14 2.26 0.00 71 K 7.05 3.23 0.00 1.39 0.74 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.24 7.81 72 K 6.67 4.78 0.00 1.60 1.64 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.44 7.81 73 L 8.21 4.77 0.00 1.72 1.73 1.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.82 5.12 0.00 4.13 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 75 L 8.20 4.39 0.00 0.27 0.21 0.52 0.01 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 76 H 9.06 5.10 0.00 2.97 3.04 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.90 4.71 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 1.52 1.01 0.96 0.00 0.00 78 A 8.43 4.16 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 79 D 8.49 4.80 0.00 2.74 2.60 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 0.00 0.00 0.00 0.00 80 S 8.83 4.20 0.00 3.94 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 81 Q 8.10 4.54 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.07 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 82 P 0.00 4.56 0.00 2.24 2.25 0.00 3.97 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 2.01 2.00 0.00 83 G 8.43 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 0.00 0.00 0.00 84 D 7.89 5.15 0.00 3.00 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 85 S 8.37 5.29 0.00 3.93 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 86 A 7.62 4.75 1.06 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 87 T 8.02 4.56 3.83 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 0.62 0.00 0.00 88 Y 8.75 5.27 0.00 2.94 2.99 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 89 F 9.75 5.38 0.00 3.14 2.99 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 90 C 8.73 3.85 0.00 1.28 2.44 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 91 A 7.72 4.71 0.53 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 92 A 7.05 3.86 -0.17 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 93 S 7.74 4.74 0.00 4.01 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 *98 A 8.37 4.82 1.15 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 0.00 0.00 99 N 8.72 4.28 0.00 2.82 2.96 0.00 0.00 7.01 7.40 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 0.00 100 S 7.19 4.45 0.00 4.12 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 0.00 101 G 8.29 4.03 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 0.00 0.00 0.00 102 T 7.65 4.02 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 1.12 0.00 0.00 103 Y 8.12 4.44 0.00 2.94 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 0.00 104 Q 8.76 4.30 0.00 1.84 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 105 R 8.36 4.61 0.00 1.60 1.87 0.00 3.25 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 106 F 9.07 4.47 0.00 2.57 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 0.00 107 G 7.72 4.37 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 0.00 108 T 8.77 3.92 4.32 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 1.27 0.00 0.00 109 G 8.59 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 0.00 110 T 8.42 4.51 4.39 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 1.29 0.00 0.00 111 K 8.53 4.60 0.00 1.68 1.67 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.35 7.81 112 L 8.83 5.25 0.00 1.84 1.52 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.82 4.81 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 114 V 9.92 4.81 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 0.92 0.00 0.00 1.07 0.00 0.00 115 V 8.63 4.00 2.60 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 0.78 0.00 0.00 1.19 0.00 0.00 116 P 0.00 4.90 0.00 2.09 1.98 0.00 3.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.