NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8594 8.3033 120.3560 55.5562 31.2953 174.0121 2 L 4.1051 8.2229 125.8527 57.2282 41.0526 174.9525 3 V 3.7000 9.0475 119.2340 66.2496 31.8704 177.7289 4 Q 4.0711 7.9637 117.3249 58.7955 28.6032 177.9964 5 F 4.4612 8.6467 122.1560 61.4921 39.3458 176.7390 6 N 4.3629 8.3791 116.9384 56.6093 38.7895 177.1878 7 G 3.8690 7.8193 108.1150 47.3306 0.0000 175.7151 8 M 4.1757 8.3343 121.1893 58.4977 32.0362 178.9558 9 I 3.5967 7.6398 119.8897 64.3385 36.8085 178.7756 10 R 4.3679 8.0557 118.8078 59.0779 29.8121 178.2716 11 C 4.3479 8.2204 119.0564 59.4582 43.4401 175.1865 12 T 4.1176 7.5861 109.7925 62.0419 70.7296 175.0562 13 I 4.5728 7.9673 122.4696 58.0874 37.2625 173.8262 14 P 4.4212 0.0000 0.0000 64.6810 31.7414 177.8229 15 G 3.8965 8.0854 104.5158 45.4944 0.0000 172.7849 16 S 4.8729 7.6929 113.8461 56.4321 65.7630 174.5846 17 I 4.4720 8.6776 120.8936 57.8543 37.2042 174.6395 18 P 4.5764 0.0000 0.0000 65.3871 31.5141 177.5305 19 W 4.5373 8.3875 113.8673 58.3862 28.2229 176.6125 20 W 4.5568 7.1272 127.5021 59.3934 31.2424 177.2993 21 D 4.1080 7.9171 117.1324 56.2448 40.0705 176.8227 22 Y 4.6381 7.4686 114.4939 57.5045 38.9850 176.3988 23 S 4.5823 7.7444 114.9246 59.7066 63.7077 173.5572 24 D 4.9823 7.4294 120.3484 52.7599 41.6337 171.5350 25 Y 4.6956 8.6548 122.3057 56.0083 42.5614 175.6985 26 G 3.9081 7.9312 116.4450 46.3590 0.0000 172.6425 27 C 4.3488 9.0786 114.2798 58.5997 40.5642 174.8614 28 Y 4.0946 8.7298 116.8259 58.9657 39.1702 174.5305 29 C 4.4596 8.2127 117.3971 60.4405 39.4824 172.1815 30 G 4.1013 8.7786 111.7954 44.3688 0.0000 170.9910 31 S 3.9782 8.6316 115.7617 59.6108 62.5110 176.1645 32 G 3.9202 8.7130 118.5796 46.5736 0.0000 172.0899 33 G 4.5835 7.9570 112.2121 46.1101 0.0000 171.9516 34 S 4.3895 6.7220 115.2065 59.1835 65.4619 175.9545 35 G 3.7989 8.6014 108.8589 45.1380 0.0000 172.0464 36 T 4.5113 8.2432 115.4783 61.3356 69.6466 173.0913 37 P 4.7165 0.0000 0.0000 63.6646 31.8423 176.4487 38 V 4.2090 8.5841 113.5485 60.3547 32.1507 175.4314 39 D 4.4831 7.5112 120.6270 51.8143 40.8376 176.8605 40 E 3.8976 8.3767 120.0107 59.7069 29.2334 178.6080 41 L 3.8017 7.9603 119.5360 58.2057 42.1930 178.3263 42 D 4.4611 8.9461 118.4215 57.0626 41.1259 178.2174 43 R 3.8368 7.9702 119.6027 59.3714 30.1623 177.6543 44 C 4.2955 8.3373 116.5504 60.6151 41.2975 175.7186 45 C 4.4265 8.1885 117.2728 59.5559 35.1167 176.1133 46 Q 3.5043 7.8053 121.4066 59.2501 28.5692 178.5929 47 V 3.6920 7.7021 113.1770 64.2222 31.5298 178.1414 48 H 4.1177 8.2094 118.3301 59.1325 29.6193 176.9942 49 D 4.3544 8.3821 120.9538 57.5392 40.6151 178.5611 50 N 4.4024 8.0917 116.8714 56.3637 38.3994 176.7176 51 C 4.4246 8.4635 120.3220 59.9586 38.6468 175.2845 52 Y 3.7911 8.3628 118.4289 61.1900 37.1572 178.4339 53 T 4.1911 8.0147 116.3556 66.6203 68.8492 176.5752 54 Q 4.0839 8.4455 120.1290 58.7175 28.6836 178.3686 55 A 3.5056 8.3221 122.0246 54.8486 18.1359 179.3372 56 Q 4.2957 7.6954 115.5084 57.7239 28.8259 176.8068 57 Q 4.3932 7.4889 117.1351 55.7065 28.9585 175.4326 58 L 4.4215 7.0224 118.5201 53.4687 43.1646 176.3806 59 T 3.8630 8.2317 116.2640 63.3766 67.7900 173.9361 60 E 3.7337 8.7055 127.7271 57.7811 27.4020 175.0634 61 C 4.5223 7.8772 117.7546 54.6665 43.7916 172.3033 *67 S 5.0054 8.7010 120.9194 57.4894 62.0793 172.2862 68 P 4.0578 0.0000 0.0000 64.9455 31.2176 177.3148 69 Y 4.2203 7.8291 117.3148 60.2589 38.3460 176.9990 70 S 4.2277 7.8553 112.3118 59.3009 63.5071 174.5791 71 K 3.7926 8.1147 121.2994 57.0538 32.1449 175.6579 72 R 4.4769 8.4977 125.3217 54.8418 31.3982 175.0748 73 Y 4.9553 7.6203 119.7434 55.0793 41.3223 174.3564 74 S 5.0936 10.4809 116.2212 56.9738 64.1762 172.4460 75 Y 5.4939 8.5846 123.7037 55.8401 41.7325 172.9793 76 D 4.6294 8.9712 118.2066 52.5052 45.3764 173.2502 77 C 5.2964 8.6945 123.5338 55.1042 44.3381 173.6257 78 S 4.4428 8.5559 123.0142 57.2736 64.2558 174.2285 79 E 3.8425 9.4576 127.9335 57.5117 26.2568 175.3542 80 G 4.4587 8.1912 99.9051 46.3986 0.0000 172.7614 81 T 4.5763 7.4763 115.2999 61.3033 71.3541 173.4879 82 L 5.0911 8.3644 125.9108 54.4565 43.8016 176.0368 83 T 4.5526 8.3237 114.5514 61.2809 71.4012 171.8558 84 C 4.7218 8.7183 126.4844 55.4230 39.2630 173.7239 85 K 4.3183 8.6246 123.5200 56.0928 32.6256 178.4806 86 A 3.9996 8.7761 124.3232 54.5563 18.3835 178.1193 87 D 4.7774 7.8922 113.4830 53.0264 40.0484 176.5505 88 N 4.5511 7.5893 117.5841 53.4755 39.2366 175.3301 89 D 4.7786 8.2848 121.4682 51.9034 42.6858 176.3341 90 E 3.8940 8.7231 118.6956 60.1409 29.2229 179.6859 91 C 4.2466 8.5165 117.5768 59.5716 42.1790 175.0426 92 A 4.0743 8.3435 121.6579 55.3990 17.8824 179.1311 93 A 3.8982 8.3598 119.4579 55.3876 18.5059 179.7211 94 F 3.7845 7.9246 117.8184 61.3660 39.5037 177.7359 95 V 3.5470 8.2783 118.3245 65.8594 31.2681 177.2614 96 C 2.8301 8.2308 118.9499 59.1142 43.1488 175.0707 97 D 3.9647 7.5634 119.3644 57.0161 40.5604 177.5614 98 C 4.0735 7.6744 117.0061 60.0832 35.7056 175.7774 99 D 3.3877 7.5258 119.8540 56.9707 40.3487 178.8707 100 R 3.7487 7.7192 119.1191 59.4944 30.0395 178.7952 101 V 3.5204 7.6861 117.7582 65.6967 31.4437 177.9540 102 A 3.7547 7.6683 120.2504 54.9678 18.0332 179.3541 103 A 3.5559 8.1357 118.3104 55.2125 18.5254 179.7612 104 I 3.7859 7.7015 118.1879 64.6291 36.8022 177.6878 105 C 4.2686 8.2906 119.4945 59.9091 39.4137 175.7048 106 F 4.1972 8.8993 119.4354 60.4982 38.1784 177.4843 107 A 4.1552 7.7838 119.7589 54.3903 18.2430 178.8855 108 G 3.9026 7.6442 100.4357 43.6628 0.0000 173.1649 109 A 4.8198 7.1289 124.4759 49.5990 20.4868 175.8875 110 P 4.3548 0.0000 0.0000 62.6869 32.0425 175.5898 111 Y 4.2973 8.4691 122.3186 56.1196 39.2557 174.8824 112 N 4.8014 8.9053 126.9432 51.5839 39.6227 176.3422 113 K 3.8888 8.8710 124.0924 59.4480 32.2729 179.1827 114 E 4.0525 8.0937 114.3450 58.4747 29.4934 176.9920 115 N 4.3571 7.5847 116.5521 52.9551 38.9668 174.7140 116 I 3.6333 7.6069 120.7120 62.0382 38.2926 175.6411 117 N 4.2380 8.7398 121.6563 53.3293 37.2500 172.5426 118 I 3.9727 6.8701 112.7542 59.5827 40.0497 176.1427 119 D 4.5449 8.1568 120.0317 53.2188 40.0270 176.4337 120 T 3.9484 8.1960 118.1165 64.2693 69.2310 177.0204 121 T 4.0841 7.9729 111.1008 63.4010 69.1037 174.8672 122 T 4.3713 7.6849 109.8451 62.3348 70.7486 174.4618 123 R 4.3328 8.3037 119.7374 56.2135 30.3267 175.2913 124 C 4.5041 7.6400 118.8202 57.8317 42.2809 173.6412 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 H 8.30 4.86 0.00 3.20 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.22 4.11 0.00 1.92 1.95 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.05 3.70 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 1.07 0.00 0.00 0.95 0.00 0.00 4 Q 7.96 4.07 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 5 F 8.65 4.46 0.00 3.22 3.29 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 6 N 8.38 4.36 0.00 3.16 3.14 0.00 0.00 7.04 8.01 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 7 G 7.82 3.87 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 0.00 0.00 0.00 8 M 8.33 4.18 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 9 I 7.64 3.60 1.64 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.15 0.64 0.00 0.00 10 R 8.06 4.37 0.00 2.13 2.03 0.00 3.24 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 11 C 8.22 4.35 0.00 3.28 3.36 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 12 T 7.59 4.12 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 13 I 7.97 4.57 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.97 0.00 0.00 14 P 0.00 4.42 0.00 2.04 2.15 0.00 3.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 15 G 8.09 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 16 S 7.69 4.87 0.00 4.22 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 17 I 8.68 4.47 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.27 0.00 0.00 18 P 0.00 4.58 0.00 2.63 2.09 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 19 W 8.39 4.54 0.00 3.72 3.34 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 20 W 7.13 4.56 0.00 1.95 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 0.00 0.00 0.00 0.00 21 D 7.92 4.11 0.00 1.90 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 0.00 0.00 0.00 22 Y 7.47 4.64 0.00 2.98 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 23 S 7.74 4.58 0.00 4.19 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 24 D 7.43 4.98 0.00 2.59 2.32 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 25 Y 8.65 4.70 0.00 2.77 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 26 G 7.93 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 0.00 0.00 0.00 27 C 9.08 4.35 0.00 3.05 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 28 Y 8.73 4.09 0.00 3.33 3.06 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 29 C 8.21 4.46 0.00 3.22 3.36 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 30 G 8.78 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 31 S 8.63 3.98 0.00 3.89 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 32 G 8.71 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 33 G 7.96 4.58 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 0.00 0.00 0.00 34 S 6.72 4.39 0.00 3.90 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 35 G 8.60 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 0.00 0.00 0.00 36 T 8.24 4.51 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 37 P 0.00 4.72 0.00 2.07 2.07 0.00 3.70 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 1.99 2.09 0.00 38 V 8.58 4.21 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 0.68 0.00 0.00 0.92 0.00 0.00 39 D 7.51 4.48 0.00 2.94 2.80 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 40 E 8.38 3.90 0.00 2.06 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 2.40 2.40 0.00 41 L 7.96 3.80 0.00 1.60 1.59 0.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.95 4.46 0.00 3.11 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 43 R 7.97 3.84 0.00 2.14 2.00 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 44 C 8.34 4.30 0.00 3.39 3.60 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 45 C 8.19 4.43 0.00 3.23 3.45 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 0.00 46 Q 7.81 3.50 0.00 1.54 1.97 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 1.93 1.16 0.00 47 V 7.70 3.69 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 0.69 0.00 0.00 0.99 0.00 0.00 48 H 8.21 4.12 0.00 3.34 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.38 4.35 0.00 3.15 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 50 N 8.09 4.40 0.00 2.99 2.89 0.00 0.00 6.68 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 51 C 8.46 4.42 0.00 3.15 3.26 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 52 Y 8.36 3.79 0.00 3.21 2.94 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 53 T 8.01 4.19 4.48 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 1.26 0.00 0.00 54 Q 8.45 4.08 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 55 A 8.32 3.51 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 56 Q 7.70 4.30 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.75 0.00 57 Q 7.49 4.39 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 58 L 7.02 4.42 0.00 1.59 1.50 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.23 3.86 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 1.18 0.00 0.00 60 E 8.71 3.73 0.00 2.12 1.99 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 2.22 2.26 0.00 61 C 7.88 4.52 0.00 2.85 3.06 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 *67 S 8.70 5.01 0.00 3.98 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 0.00 68 P 0.00 4.06 0.00 0.49 1.29 0.00 3.78 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.54 0.00 69 Y 7.83 4.22 0.00 3.16 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 70 S 7.86 4.23 0.00 3.85 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 71 K 8.11 3.79 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.57 1.53 7.81 72 R 8.50 4.48 0.00 1.81 1.76 0.00 3.33 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 73 Y 7.62 4.96 0.00 3.17 3.06 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 74 S 10.48 5.09 0.00 3.85 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 75 Y 8.58 5.49 0.00 3.24 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 76 D 8.97 4.63 0.00 2.72 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 77 C 8.69 5.30 0.00 3.10 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 78 S 8.56 4.44 0.00 3.91 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 79 E 9.46 3.84 0.00 2.11 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 0.00 2.22 2.29 0.00 80 G 8.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.58 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 82 L 8.36 5.09 0.00 1.54 1.63 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.32 4.55 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 1.23 0.00 0.00 84 C 8.72 4.72 0.00 2.81 2.94 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 85 K 8.62 4.32 0.00 1.96 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.46 7.81 86 A 8.78 4.00 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 87 D 7.89 4.78 0.00 2.81 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 88 N 7.59 4.55 0.00 2.90 2.94 0.00 0.00 6.88 7.94 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 89 D 8.28 4.78 0.00 2.91 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 90 E 8.72 3.89 0.00 2.10 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 2.36 2.46 0.00 91 C 8.52 4.25 0.00 3.03 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 92 A 8.34 4.07 1.56 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 0.00 0.00 93 A 8.36 3.90 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 94 F 7.92 3.78 0.00 3.22 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 V 8.28 3.55 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 0.90 0.00 0.00 0.91 0.00 0.00 96 C 8.23 2.83 0.00 2.22 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 97 D 7.56 3.96 0.00 2.54 2.35 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 98 C 7.67 4.07 0.00 3.15 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 99 D 7.53 3.39 0.00 2.56 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 0.00 100 R 7.72 3.75 0.00 1.80 1.89 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 101 V 7.69 3.52 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 0.96 0.00 0.00 0.95 0.00 0.00 102 A 7.67 3.75 1.09 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 0.00 0.00 103 A 8.14 3.56 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 0.00 104 I 7.70 3.79 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.89 0.00 0.00 105 C 8.29 4.27 0.00 3.17 3.33 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 0.00 106 F 8.90 4.20 0.00 2.86 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 0.00 107 A 7.78 4.16 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 0.00 108 G 7.64 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 0.00 109 A 7.13 4.82 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 0.00 110 P 0.00 4.35 0.00 2.09 2.04 0.00 3.67 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 2.05 2.10 0.00 111 Y 8.47 4.30 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 0.00 112 N 8.91 4.80 0.00 2.76 3.25 0.00 0.00 6.65 6.95 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 0.00 113 K 8.87 3.89 0.00 1.83 1.87 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.63 7.81 114 E 8.09 4.05 0.00 1.96 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 2.21 2.35 0.00 115 N 7.58 4.36 0.00 2.32 1.82 0.00 0.00 6.87 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 0.00 116 I 7.61 3.63 1.74 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 1.08 0.31 0.75 0.00 0.00 117 N 8.74 4.24 0.00 2.55 2.64 0.00 0.00 7.15 7.82 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 0.00 118 I 6.87 3.97 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.72 0.00 0.00 119 D 8.16 4.54 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.95 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 1.13 0.00 0.00 121 T 7.97 4.08 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 1.19 0.00 0.00 122 T 7.68 4.37 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 1.30 0.00 0.00 123 R 8.30 4.33 0.00 1.85 1.90 0.00 3.13 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 124 C 7.64 4.50 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.