NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5192 8.3301 116.7270 57.8725 64.7189 172.7658 3 A 4.1497 8.4839 123.0227 51.9006 18.7813 175.4189 4 T 4.7458 9.9762 116.9905 60.6364 72.3534 170.8596 5 T 5.0072 8.8121 123.0007 62.0668 71.3261 172.8990 6 C 5.1387 9.6583 125.2349 56.0238 42.4652 176.3731 7 G 3.8356 9.4709 119.6656 46.1804 0.0000 172.8183 8 S 4.6314 9.1635 110.7877 57.7910 64.8611 174.1001 9 T 4.2114 8.0406 119.2812 62.8032 69.1989 173.1823 10 N 5.2112 8.2478 123.5490 51.8739 40.4656 173.9557 11 Y 5.0993 9.0582 120.9309 56.1178 41.8366 175.8003 12 S 4.8162 9.5158 118.4909 57.4777 64.9566 175.0735 13 A 3.9417 8.7529 121.7955 55.4100 17.8844 179.9651 14 S 4.0333 7.9887 112.1353 61.7422 63.1451 176.6210 15 Q 3.9676 7.9912 121.2382 58.5463 28.4238 178.8850 16 V 3.4040 7.7509 119.2757 65.8554 31.5316 177.9539 17 R 3.6978 8.0033 118.2609 59.3537 29.9181 178.2058 18 A 3.9656 8.1873 120.3971 55.1495 18.3953 179.5138 19 A 4.0486 7.9609 118.8043 55.2222 18.4971 179.6248 20 A 3.9165 8.0974 119.3931 55.3844 18.4520 179.3792 21 N 4.1848 8.5743 115.6798 56.7084 38.9501 176.8795 22 A 3.8711 8.0630 121.9139 54.9693 18.4537 179.1717 23 A 2.9310 7.9682 119.5716 55.2231 18.2838 178.7913 24 C 4.1880 8.0837 116.6282 60.1543 41.8661 175.7531 25 Q 3.8890 8.0857 119.3360 59.3132 28.3187 178.7617 26 Y 4.0183 8.1264 117.7652 61.0460 38.0250 177.7773 27 Y 4.2602 8.3056 120.5189 61.0912 38.7735 178.3795 28 Q 3.7997 8.3130 117.1367 57.8656 28.8434 177.2879 29 N 4.6569 7.4591 114.8673 51.9165 39.0975 174.3606 30 D 4.4146 7.6165 118.8023 55.5101 39.1609 172.7955 31 D 5.3626 8.1790 116.7470 52.7590 44.2583 175.4941 32 T 4.9293 8.4309 108.6138 59.6141 72.4213 173.5950 33 A 3.9668 9.0028 125.4728 51.1716 19.0393 178.0150 34 G 3.6927 8.9047 113.7569 47.7393 0.0000 174.6021 35 S 4.4871 8.7288 118.9056 58.0763 63.4487 174.2440 36 S 4.4667 7.6707 116.3388 58.5356 63.6544 173.8097 37 T 4.3857 7.9798 108.6102 61.7241 68.9763 173.7598 38 Y 4.9183 7.6357 120.8302 56.5376 39.6724 173.4939 39 P 5.6172 0.0000 0.0000 62.7409 32.8482 174.7799 40 H 5.2102 8.5821 115.4677 53.9179 32.6198 172.2098 41 T 4.4823 8.7837 115.0261 64.7940 68.9887 172.8494 42 Y 4.7890 8.9513 126.5224 55.9838 41.0153 174.4751 43 N 4.6823 8.2645 124.4830 51.7666 40.3826 175.7008 44 N 4.6575 8.4612 126.3958 53.0244 37.9995 175.5069 45 Y 4.3133 7.2878 116.7994 59.4071 39.0276 177.2795 46 E 3.9205 7.4113 118.8907 57.0032 29.9494 176.6201 47 G 3.7068 7.6679 106.2330 45.8201 0.0000 173.8892 48 F 3.8892 8.1808 118.3332 57.2798 39.5739 176.6775 49 D 4.6090 8.2237 127.0446 52.8848 39.1531 176.4196 50 F 4.5495 7.4193 119.6779 56.6640 39.9958 174.3872 51 P 4.5569 0.0000 0.0000 64.1544 31.7978 176.5008 52 V 4.5692 7.4820 111.3813 59.3219 35.0205 174.6652 53 D 4.6264 8.5153 121.4921 53.7866 41.9946 177.1190 54 G 2.7373 7.8446 112.9656 43.5772 0.0000 171.3353 55 P 4.1866 0.0000 0.0000 62.9710 32.8281 174.9125 56 Y 5.0045 8.2610 117.0967 56.4557 41.6956 174.6421 57 Q 5.2306 9.1719 119.8744 54.1300 32.7648 174.4577 58 E 5.0453 9.0030 120.6238 54.7922 33.1367 174.6074 59 F 4.7166 8.4584 122.1911 56.1666 43.2635 171.9773 60 P 4.3773 0.0000 0.0000 62.4545 31.9690 175.4037 61 I 4.6157 7.8281 121.8399 59.0863 40.7768 174.7941 62 K 4.9115 8.3757 126.3282 55.0661 35.7807 177.2608 63 S 4.3188 9.1066 116.8132 61.9305 62.8297 176.1267 64 G 3.6834 8.0049 106.5526 46.5647 0.0000 172.6994 65 G 4.2427 7.1618 105.9930 43.0674 0.0000 172.5044 *67 V 4.1090 7.5516 118.6516 62.4089 32.2003 174.3178 68 Y 4.2357 8.6429 127.7375 58.0136 39.0597 175.8875 69 T 4.4647 8.4727 114.7607 60.6546 70.0245 172.8138 70 G 3.6550 7.0191 107.3417 43.5370 0.0000 173.4541 71 G 3.7577 8.2298 106.7379 44.1138 0.0000 172.3957 72 S 4.2673 8.5014 114.1029 57.9192 62.5979 173.4707 73 P 4.0062 0.0000 0.0000 63.1686 31.7274 177.1409 74 G 3.7658 7.9680 107.2210 44.8587 0.0000 172.3175 75 A 4.5843 8.3431 117.8322 52.4911 20.4550 176.8798 76 D 5.4832 8.0165 115.4099 52.6881 43.8880 175.7234 77 R 4.7933 8.8762 119.8567 54.6531 35.0502 174.5112 78 V 4.5625 8.6836 114.9918 59.7816 34.6350 175.0642 79 V 4.5964 8.2760 123.8243 60.8919 34.0417 174.4697 80 I 4.9372 8.4929 120.7153 59.0989 41.5400 174.4001 81 N 5.2531 8.8417 121.2318 50.6259 39.7832 175.7035 82 T 3.7073 8.3745 107.6258 63.4539 67.5718 174.5258 83 N 4.7401 8.6154 119.7136 52.8904 38.9391 174.7718 84 C 4.1486 8.2713 114.5700 57.8079 39.0733 172.8383 85 E 4.3267 7.6935 119.5656 55.6606 29.7510 175.7711 86 Y 4.2260 8.6354 124.7948 57.7698 39.4301 174.7233 87 A 4.1097 8.7368 129.3408 51.4198 20.7828 176.9946 88 G 3.6372 5.3800 99.3053 46.0966 0.0000 170.6945 89 A 5.2254 8.0541 121.2208 49.8858 21.9026 175.7790 90 I 4.8851 8.4475 115.3160 59.3748 41.4869 174.2890 91 T 5.3358 9.1174 116.7110 61.2026 70.8435 174.4581 92 H 4.3463 9.5808 124.0217 58.0656 29.1779 175.7245 93 T 4.1053 7.7419 117.1596 65.3652 68.0884 174.6071 94 G 3.8901 9.2140 114.9672 45.0999 0.0000 172.2707 95 A 4.7273 7.6615 121.9801 50.3126 21.4553 176.6753 96 S 4.7351 8.3709 113.8523 57.1165 66.0832 175.7462 97 G 3.6338 8.1374 110.0818 47.6219 0.0000 173.8376 98 N 4.6505 8.6952 121.8318 53.0230 38.5446 174.6392 99 N 4.9661 7.9433 117.1084 52.9674 39.5972 173.9621 100 F 5.2655 9.4671 117.6963 56.0697 42.6026 175.2736 101 V 4.7590 9.0112 113.7008 59.4428 35.5636 175.3132 102 G 4.4608 8.7164 108.7862 45.4936 0.0000 174.4416 103 C 4.9815 8.9559 120.5491 55.4740 42.1642 173.4354 104 S 4.3365 8.7924 115.8359 60.4568 62.5546 175.0355 105 G 4.0127 9.2304 112.9066 45.0981 0.0000 172.9930 106 T 4.5904 8.0871 117.2023 61.8256 70.4174 174.3142 107 N 4.6613 8.5487 122.6973 53.4948 39.6048 174.2108 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 S 8.33 4.52 0.00 3.78 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 3 A 8.48 4.15 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 4 T 9.98 4.75 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 1.34 0.00 0.00 5 T 8.81 5.01 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 1.32 0.00 0.00 6 C 9.66 5.14 0.00 3.12 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 7 G 9.47 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 0.00 0.00 0.00 8 S 9.16 4.63 0.00 3.91 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 9 T 8.04 4.21 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 0.58 0.00 0.00 10 N 8.25 5.21 0.00 2.48 2.66 0.00 0.00 6.89 7.46 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 11 Y 9.06 5.10 0.00 2.90 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 12 S 9.52 4.82 0.00 3.89 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 13 A 8.75 3.94 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 14 S 7.99 4.03 0.00 4.05 4.12 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 0.00 0.00 0.00 15 Q 7.99 3.97 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 16 V 7.75 3.40 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 0.58 0.00 0.00 0.97 0.00 0.00 17 R 8.00 3.70 0.00 1.89 1.99 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 18 A 8.19 3.97 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 19 A 7.96 4.05 1.39 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 0.00 0.00 0.00 20 A 8.10 3.92 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 21 N 8.57 4.18 0.00 2.77 2.80 0.00 0.00 7.15 7.44 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 22 A 8.06 3.87 1.48 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 0.00 0.00 0.00 23 A 7.97 2.93 1.13 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 24 C 8.08 4.19 0.00 3.00 3.25 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 25 Q 8.09 3.89 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 26 Y 8.13 4.02 0.00 3.19 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 27 Y 8.31 4.26 0.00 3.08 3.24 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 0.00 28 Q 8.31 3.80 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 29 N 7.46 4.66 0.00 2.78 2.81 0.00 0.00 7.06 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 30 D 7.62 4.41 0.00 2.80 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 31 D 8.18 5.36 0.00 2.70 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 32 T 8.43 4.93 4.51 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 0.00 0.00 0.00 1.30 0.00 0.00 33 A 9.00 3.97 1.11 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 34 G 8.90 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 35 S 8.73 4.49 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.47 0.00 4.23 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 37 T 7.98 4.39 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 1.14 0.00 0.00 38 Y 7.64 4.92 0.00 2.93 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 39 P 0.00 5.62 0.00 2.38 2.29 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 40 H 8.58 5.21 0.00 3.25 3.68 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.78 4.48 4.34 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 1.28 0.00 0.00 42 Y 8.95 4.79 0.00 2.91 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 43 N 8.26 4.68 0.00 2.78 2.80 0.00 0.00 7.12 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.46 4.66 0.00 3.10 2.94 0.00 0.00 6.94 7.56 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 45 Y 7.29 4.31 0.00 3.14 3.10 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 46 E 7.41 3.92 0.00 1.47 1.63 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 1.95 1.47 0.00 47 G 7.67 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 0.00 0.00 0.00 48 F 8.18 3.89 0.00 1.86 1.71 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 49 D 8.22 4.61 0.00 2.58 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 50 F 7.42 4.55 0.00 3.10 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 51 P 0.00 4.56 0.00 2.23 2.23 0.00 3.97 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 2.02 2.04 0.00 52 V 7.48 4.57 2.28 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 0.77 0.00 0.00 0.97 0.00 0.00 53 D 8.52 4.63 0.00 2.67 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 54 G 7.84 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 0.00 0.00 0.00 55 P 0.00 4.19 0.00 2.04 2.11 0.00 3.52 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 1.97 1.95 0.00 56 Y 8.26 5.00 0.00 3.28 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 57 Q 9.17 5.23 0.00 1.69 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 58 E 9.00 5.05 0.00 1.73 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 0.00 2.38 2.27 0.00 59 F 8.46 4.72 0.00 3.06 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 60 P 0.00 4.38 0.00 0.88 1.33 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.83 4.62 1.59 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.56 0.46 0.00 0.00 62 K 8.38 4.91 0.00 1.99 1.90 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.64 7.81 63 S 9.11 4.32 0.00 3.92 3.98 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 64 G 8.00 3.68 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 65 G 7.16 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 0.00 0.00 0.00 0.00 *67 V 7.55 4.11 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 1.18 0.00 0.00 1.01 0.00 0.00 68 Y 8.64 4.24 0.00 2.70 2.41 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 69 T 8.47 4.46 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 1.33 0.00 0.00 70 G 7.02 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.50 4.27 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 73 P 0.00 4.01 0.00 1.82 1.72 0.00 3.95 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 2.01 2.12 0.00 74 G 7.97 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 0.00 0.00 0.00 75 A 8.34 4.58 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 76 D 8.02 5.48 0.00 2.79 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 77 R 8.88 4.79 0.00 1.11 1.47 0.00 3.00 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 78 V 8.68 4.56 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 0.62 0.00 0.00 1.03 0.00 0.00 79 V 8.28 4.60 1.07 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 0.03 0.00 0.00 -0.02 0.00 0.00 80 I 8.49 4.94 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 0.90 0.00 0.00 81 N 8.84 5.25 0.00 2.77 2.95 0.00 0.00 6.65 7.62 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 82 T 8.37 3.71 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 1.12 0.00 0.00 83 N 8.62 4.74 0.00 2.95 2.86 0.00 0.00 6.92 7.42 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 84 C 8.27 4.15 0.00 3.14 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 85 E 7.69 4.33 0.00 2.22 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 2.34 2.25 0.00 86 Y 8.64 4.23 0.00 2.86 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 87 A 8.74 4.11 0.38 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 88 G 5.38 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 89 A 8.05 5.23 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 90 I 8.45 4.89 1.58 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.38 -0.14 0.00 0.00 91 T 9.12 5.34 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 1.41 0.00 0.00 92 H 9.58 4.35 0.00 3.18 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.74 4.11 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 1.24 0.00 0.00 94 G 9.21 3.89 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 0.00 95 A 7.66 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 96 S 8.37 4.74 0.00 4.01 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 97 G 8.14 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 0.00 0.00 0.00 98 N 8.70 4.65 0.00 2.73 2.84 0.00 0.00 6.79 8.00 0.00 0.00 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 7.94 4.97 0.00 2.93 2.85 0.00 0.00 6.65 6.81 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 0.00 100 F 9.47 5.27 0.00 3.11 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 0.00 101 V 9.01 4.76 2.18 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 0.75 0.00 0.00 1.07 0.00 0.00 102 G 8.72 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 0.00 103 C 8.96 4.98 0.00 3.00 3.21 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 0.00 104 S 8.79 4.34 0.00 3.95 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 0.00 105 G 9.23 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.09 4.59 4.40 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 1.03 0.00 0.00 107 N 8.55 4.66 0.00 2.70 2.63 0.00 0.00 7.20 7.56 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 * Residues marked with a * may have inaccurate shift predictions.