NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2414 8.2985 120.2467 56.2304 30.6963 176.2688 2 A 4.0194 8.5622 126.4456 53.3565 18.8374 176.4323 3 A 4.1219 7.8959 118.0729 53.7242 20.6257 175.7400 4 V 4.6635 7.5113 116.3320 61.7939 32.5763 175.5748 5 T 4.7226 9.1967 118.7729 60.0993 71.3753 173.1421 6 Q 5.2878 8.8739 124.3955 54.4683 31.8109 174.9578 7 S 4.7193 9.0593 115.9195 56.4489 66.0821 172.0959 8 P 4.8142 0.0000 0.0000 61.7820 33.2216 175.3344 9 R 4.2653 8.5592 118.6446 58.4211 31.2837 175.8640 10 N 5.5644 8.0184 114.6586 51.2341 42.2234 174.1871 11 K 4.5857 9.0542 123.8311 54.9125 36.2208 174.5959 12 V 4.8356 8.5428 126.5454 61.0592 33.5658 174.2986 13 A 5.0211 9.1991 129.1832 50.2032 22.5257 175.5499 14 V 4.4835 8.4995 113.2055 60.2008 33.9211 176.3017 15 T 4.1582 8.1119 119.8060 65.6197 68.7882 175.2263 16 G 4.3080 9.3668 114.7423 44.5347 0.0000 173.1581 17 E 4.0247 7.9489 120.9419 56.3615 30.9047 176.0410 18 K 4.9408 8.4905 127.5387 55.0203 32.8681 175.6004 19 V 4.3435 8.5118 128.3718 61.4855 34.0840 174.8189 20 T 4.8219 8.1090 122.3879 61.8062 71.6337 173.2028 21 L 4.3038 8.3491 127.6873 53.8699 43.3831 176.1568 22 S 5.2637 8.8896 119.4571 56.9276 65.8610 172.3020 23 C 5.5274 8.9919 123.1932 54.8187 43.9292 172.0369 24 N 6.3000 9.5624 123.9136 50.7544 42.0047 172.8448 25 Q 5.7243 8.9597 122.9499 53.2036 31.6280 175.1909 26 T 4.6505 8.4437 114.5442 61.7056 68.7644 174.9918 27 N 4.3535 8.3495 119.4924 54.0036 39.2324 175.6754 28 N 4.3044 8.0169 115.0431 54.7582 37.2974 173.2265 29 H 4.8549 7.5867 109.4870 54.6773 30.0562 175.5187 30 N 4.5508 8.6899 119.7817 55.6293 39.4468 175.1380 31 N 5.4016 7.7691 115.9902 52.2861 40.0788 174.7122 32 M 5.1901 7.7176 121.1705 53.9339 36.9258 173.6375 33 Y 5.5787 9.5580 118.2694 56.3838 43.5066 174.4848 34 W 5.4116 9.5187 119.8252 55.7486 32.7381 174.4168 35 Y 5.5394 10.2444 123.3750 56.1658 41.3912 175.0964 36 R 5.0263 9.0188 116.6543 54.5702 33.1633 173.9006 37 Q 4.9897 9.3047 123.4282 53.7713 32.3044 175.1399 38 D 5.1095 8.2953 127.6237 52.6962 39.9453 175.6329 39 T 4.2005 8.3362 105.1887 62.9657 70.4687 174.4028 40 G 4.0633 8.5117 108.8502 46.6577 0.0000 174.5078 41 H 4.7648 7.3446 117.5402 54.6267 28.9869 174.3204 42 E 3.9985 8.8845 125.5031 58.0694 29.9164 177.4391 43 L 4.7735 8.4531 126.2960 54.0939 43.3402 176.1377 44 R 4.8620 9.1183 122.0952 53.9757 33.6887 174.9525 45 L 3.6624 8.5743 125.5909 55.6186 43.0095 176.0816 46 I 4.1521 8.9634 127.0032 62.7368 38.7329 174.9080 47 Y 5.2820 7.8217 118.2059 56.7826 42.8271 173.0054 48 Y 5.5036 8.9018 119.5766 55.9445 42.7553 173.6478 49 S 4.3844 8.1466 113.1579 57.1394 65.4570 174.3048 50 Y 4.5893 8.1809 123.4045 57.7374 38.4816 175.4926 51 G 3.9636 7.0076 107.1355 44.3441 0.0000 171.2140 52 A 4.3162 8.0590 122.4561 53.8016 18.5931 178.0441 53 G 4.0115 8.9799 111.5463 44.9743 0.0000 173.5193 54 S 4.6685 7.6277 114.2172 57.7158 63.6565 174.1482 55 T 4.6218 8.3305 122.7817 62.5968 71.8340 172.8218 56 E 4.5724 8.9531 126.7435 53.8700 32.6878 176.1639 57 K 2.9892 8.5192 123.7013 55.4693 32.6672 177.4743 58 G 4.2233 8.4862 115.5597 47.0316 0.0000 175.5568 59 D 4.8172 9.1045 123.3995 54.6047 41.6853 176.9196 60 I 4.7026 7.0931 110.5516 58.8881 37.1394 173.3595 61 P 4.6200 0.0000 0.0000 64.2922 32.4273 177.1164 62 D 4.3501 8.0013 120.4112 56.0482 41.1974 176.6369 63 G 3.6285 8.7487 112.6835 45.4953 0.0000 172.1139 *65 Y 5.2618 7.2454 115.4569 58.0261 39.3367 174.3203 66 K 4.5758 8.7215 121.5663 54.7147 36.2220 174.6859 67 A 4.8251 7.6437 124.9305 50.3602 22.9710 175.3539 68 S 4.4174 8.6236 113.0890 56.8473 66.2313 173.9150 69 R 5.4665 8.6655 127.9420 53.1526 28.3713 173.9408 70 P 4.3008 0.0000 0.0000 65.1793 31.9286 176.7065 71 S 4.6149 7.4669 110.1532 56.7143 65.9681 172.7773 72 Q 4.0309 8.9146 120.3595 59.5434 28.9906 177.2932 73 E 4.4387 8.1181 113.2164 56.2504 30.4317 174.4815 74 N 6.1353 7.8908 116.6563 50.7307 41.8358 173.2260 75 F 5.4920 8.9711 125.1629 56.8042 42.8311 172.9715 76 S 5.1170 9.1236 121.5461 56.4424 65.7562 172.6385 77 L 4.4751 7.6524 124.9558 53.4365 44.0512 174.9475 78 T 4.7643 8.8136 122.5630 61.7126 71.9453 173.1219 79 L 4.4583 8.8003 127.5430 53.3430 41.9423 176.7609 80 E 3.7914 8.7649 126.4592 58.9421 30.9442 176.2065 81 S 4.9720 8.0475 115.4943 55.1681 64.9843 172.2819 82 A 4.4385 8.9423 128.9846 52.1751 19.3325 176.0679 83 T 4.7802 8.4217 114.9957 59.5396 71.1027 172.8326 84 P 4.4966 0.0000 0.0000 65.6756 31.5693 178.6988 85 S 4.2484 7.5792 110.4812 60.7240 62.9451 175.0816 86 Q 4.4116 8.5581 119.5809 56.7121 28.9952 175.1668 87 T 4.3259 7.7906 114.4325 62.4442 68.0293 173.4324 88 S 4.5252 8.3819 121.7294 58.4210 67.6529 174.4240 89 V 4.6134 7.9314 121.1384 61.5068 33.0277 174.1824 90 Y 5.0850 9.1123 126.7639 56.8420 39.6805 174.7186 91 F 5.6869 9.8972 123.0001 55.9421 42.6267 173.5131 92 C 5.0530 9.6665 122.3178 54.7633 42.1078 172.3942 93 A 5.1849 8.6292 125.2327 50.4510 22.6520 174.9936 94 S 5.2586 8.7149 113.6389 56.9106 67.1018 173.1517 95 G 4.2451 8.9301 104.3733 45.3481 0.0000 174.3607 96 G 4.1606 8.7584 111.9043 44.6945 0.0000 173.9580 97 G 3.9157 8.1839 107.3789 47.0026 0.0000 172.7341 98 G 3.7920 8.2873 113.1727 45.7096 0.0000 176.6963 *105 T 3.9027 8.5084 116.1056 62.9160 69.4342 172.4759 106 L 4.6220 7.8818 124.2087 53.0527 44.0853 175.2639 107 Y 4.7744 8.6872 121.1713 56.3312 40.4325 175.1220 108 F 5.1027 9.1652 122.7877 56.1276 41.0771 175.8201 109 G 4.1666 9.1464 109.3064 45.0239 0.0000 174.7299 110 A 3.8925 8.7408 122.1625 53.5825 18.5632 179.0975 111 G 3.7834 8.2913 100.3656 45.7169 0.0000 173.1234 112 T 4.6579 8.5261 116.0636 61.4301 72.0865 173.5406 113 R 4.5496 9.3108 129.1444 55.6539 31.3561 174.7335 114 L 5.2954 8.8546 129.7306 53.4795 44.5449 175.1583 115 S 5.0935 9.0709 122.4045 56.6827 66.2712 173.1731 116 V 4.7906 8.3575 122.8321 61.1344 33.5573 174.2296 117 L 4.6538 8.7906 131.1405 53.4004 43.7993 176.6166 118 S 5.0645 8.5259 119.1236 58.0720 63.2775 173.8598 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 E 8.30 4.24 0.00 2.07 1.94 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 1.89 1.47 0.00 2 A 8.56 4.02 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 3 A 7.90 4.12 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 4 V 7.51 4.66 2.13 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 0.84 0.00 0.00 1.01 0.00 0.00 5 T 9.20 4.72 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 1.23 0.00 0.00 6 Q 8.87 5.29 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 7 S 9.06 4.72 0.00 3.89 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 8 P 0.00 4.81 0.00 2.24 2.07 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 9 R 8.56 4.27 0.00 2.00 1.98 0.00 3.40 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 10 N 8.02 5.56 0.00 2.60 2.67 0.00 0.00 6.59 7.61 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 11 K 9.05 4.59 0.00 1.81 1.55 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.54 4.84 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 0.90 0.00 0.00 0.93 0.00 0.00 13 A 9.20 5.02 1.16 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 0.00 0.00 0.00 14 V 8.50 4.48 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 0.94 0.00 0.00 15 T 8.11 4.16 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 1.26 0.00 0.00 16 G 9.37 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 0.00 0.00 0.00 0.00 17 E 7.95 4.02 0.00 2.13 1.84 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 2.26 2.23 0.00 18 K 8.49 4.94 0.00 1.75 1.67 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.30 7.81 19 V 8.51 4.34 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 0.72 0.00 0.00 0.85 0.00 0.00 20 T 8.11 4.82 4.15 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 1.11 0.00 0.00 21 L 8.35 4.30 0.00 0.57 1.19 -0.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.89 5.26 0.00 3.83 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 23 C 8.99 5.53 0.00 2.91 3.09 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 24 N 9.56 6.30 0.00 2.87 2.62 0.00 0.00 6.57 7.71 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 25 Q 8.96 5.72 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.32 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 T 8.44 4.65 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 1.20 0.00 0.00 27 N 8.35 4.35 0.00 2.65 2.09 0.00 0.00 6.72 6.71 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 28 N 8.02 4.30 0.00 2.81 2.89 0.00 0.00 7.03 7.89 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 29 H 7.59 4.85 0.00 3.39 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.69 4.55 0.00 2.81 3.07 0.00 0.00 7.03 6.92 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 31 N 7.77 5.40 0.00 2.80 2.46 0.00 0.00 6.42 7.59 0.00 0.00 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 M 7.72 5.19 0.00 1.81 1.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 33 Y 9.56 5.58 0.00 3.00 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 34 W 9.52 5.41 0.00 3.49 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 35 Y 10.24 5.54 0.00 3.19 3.05 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 36 R 9.02 5.03 0.00 1.28 1.49 0.00 2.64 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 37 Q 9.30 4.99 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 38 D 8.30 5.11 0.00 2.76 2.63 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 39 T 8.34 4.20 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 1.23 0.00 0.00 40 G 8.51 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 41 H 7.34 4.76 0.00 3.18 3.17 0.00 5.88 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 42 E 8.88 4.00 0.00 1.99 1.90 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 2.34 2.38 0.00 43 L 8.45 4.77 0.00 1.49 1.71 0.62 0.33 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 44 R 9.12 4.86 0.00 1.76 1.84 0.00 3.17 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 45 L 8.57 3.66 0.00 1.38 1.42 0.42 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.96 4.15 2.05 0.00 0.00 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 1.06 0.67 0.59 0.00 0.00 47 Y 7.82 5.28 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.90 5.50 0.00 2.51 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 49 S 8.15 4.38 0.00 3.11 2.63 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 50 Y 8.18 4.59 0.00 3.01 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 51 G 7.01 3.96 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 0.00 0.00 0.00 52 A 8.06 4.32 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 53 G 8.98 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 54 S 7.63 4.67 0.00 3.97 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 T 8.33 4.62 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 1.34 0.00 0.00 56 E 8.95 4.57 0.00 1.16 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 1.72 1.73 0.00 57 K 8.52 2.99 0.00 1.44 1.42 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.07 1.34 7.81 58 G 8.49 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 0.00 0.00 0.00 0.00 59 D 9.10 4.82 0.00 2.61 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 60 I 7.09 4.70 1.98 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 1.67 0.70 0.96 0.00 0.00 61 P 0.00 4.62 0.00 2.08 1.79 0.00 3.78 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 1.97 1.87 0.00 62 D 8.00 4.35 0.00 2.71 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 63 G 8.75 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 *65 Y 7.25 5.26 0.00 3.32 2.97 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 66 K 8.72 4.58 0.00 1.72 1.45 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.14 1.28 7.81 67 A 7.64 4.83 0.46 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 68 S 8.62 4.42 0.00 3.84 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 69 R 8.67 5.47 0.00 2.08 1.84 0.00 3.67 0.00 0.00 2.99 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 70 P 0.00 4.30 0.00 2.24 2.21 0.00 4.16 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 71 S 7.47 4.61 0.00 4.03 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 72 Q 8.91 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.12 4.44 0.00 2.25 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 0.00 2.33 2.27 0.00 74 N 7.89 6.14 0.00 2.73 2.80 0.00 0.00 6.54 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 75 F 8.97 5.49 0.00 2.98 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 76 S 9.12 5.12 0.00 3.91 3.95 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 77 L 7.65 4.48 0.00 0.27 0.13 0.66 0.16 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 78 T 8.81 4.76 4.09 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 1.16 0.00 0.00 79 L 8.80 4.46 0.00 1.45 1.47 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.76 3.79 0.00 2.02 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 2.34 0.00 81 S 8.05 4.97 0.00 3.82 3.61 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 82 A 8.94 4.44 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 83 T 8.42 4.78 4.20 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 1.20 0.00 0.00 84 P 0.00 4.50 0.00 2.21 2.12 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 S 7.58 4.25 0.00 4.04 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 86 Q 8.56 4.41 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 87 T 7.79 4.33 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 1.27 0.00 0.00 88 S 8.38 4.53 0.00 3.97 3.42 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 89 V 7.93 4.61 2.16 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 0.58 0.00 0.00 0.94 0.00 0.00 90 Y 9.11 5.08 0.00 3.00 3.12 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 91 F 9.90 5.69 0.00 3.28 3.23 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 92 C 9.67 5.05 0.00 1.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 5.18 0.16 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 0.00 0.00 0.00 94 S 8.71 5.26 0.00 3.96 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 95 G 8.93 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 0.00 0.00 0.00 0.00 96 G 8.76 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 0.00 0.00 0.00 0.00 97 G 8.18 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 98 G 8.29 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 *105 T 8.51 3.90 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 0.33 0.00 0.00 106 L 7.88 4.62 0.00 1.20 1.16 0.59 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.69 4.77 0.00 2.86 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 0.00 108 F 9.17 5.10 0.00 2.80 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 0.00 109 G 9.15 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 0.00 110 A 8.74 3.89 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 0.00 111 G 8.29 3.78 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 0.00 0.00 0.00 112 T 8.53 4.66 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 1.31 0.00 0.00 113 R 9.31 4.55 0.00 1.85 2.12 0.00 3.19 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 L 8.85 5.30 0.00 1.80 1.71 0.91 0.61 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 0.00 115 S 9.07 5.09 0.00 3.79 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 0.00 116 V 8.36 4.79 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 0.75 0.00 0.00 0.95 0.00 0.00 117 L 8.79 4.65 0.00 1.79 1.51 0.92 0.78 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 0.00 118 S 8.53 5.06 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.