NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6101 8.3344 115.5532 58.1838 64.1245 172.3893 2 V 4.1611 8.8731 125.6262 60.1372 34.0188 172.4261 3 K 4.9734 9.9285 131.5013 54.9993 34.3433 174.8896 4 V 4.8127 8.6562 120.7984 59.4524 35.3840 174.6882 5 K 4.6626 8.7536 125.1154 55.0970 33.7228 175.1283 6 V 4.5587 8.8995 128.7694 61.4028 33.3670 174.4613 7 K 4.7233 8.9118 127.8561 54.8810 34.2659 174.9594 8 Y 5.2699 8.5910 123.4743 57.0116 39.7539 175.2193 9 F 5.0090 9.3355 120.2019 55.5361 43.3184 176.2443 10 A 3.6041 9.1070 124.0393 53.3250 17.6044 181.3315 11 R 4.0746 8.2035 113.9398 60.8723 29.1841 178.2512 12 F 4.4822 7.6437 118.1623 59.8476 39.0349 177.5934 13 R 4.1173 8.1617 118.6030 59.3204 29.5879 178.9249 14 Q 3.9955 7.6833 116.8041 58.7612 28.7985 178.2419 15 L 3.9727 7.6874 118.5443 57.6425 41.7591 178.9030 16 A 3.8294 8.0143 119.7078 52.6035 18.3641 178.7946 17 G 3.9087 8.1977 103.7446 45.7719 0.0000 173.6008 18 V 4.5841 6.9329 110.6787 59.7876 35.8717 174.6938 19 D 4.8178 8.6956 121.1540 56.9016 41.9054 176.0182 20 E 5.3402 8.0654 113.8054 55.6363 32.5263 174.4348 21 E 4.8335 9.0755 117.4782 55.4443 33.3762 173.7900 22 E 4.8432 8.7795 121.8576 55.7795 31.0109 175.7194 23 I 4.4879 8.8498 125.2945 59.4604 40.2787 174.4738 24 E 4.7075 8.8387 127.3422 55.7811 30.3908 176.1520 25 L 4.9103 9.0133 123.9655 51.9924 46.1834 174.5699 26 P 4.6237 0.0000 0.0000 61.9481 32.8155 175.4790 27 E 3.8868 8.7102 121.9644 58.4445 29.6782 177.6502 28 G 3.8958 8.9630 113.0354 44.9766 0.0000 173.3424 29 A 4.1751 7.7013 122.9527 52.4980 19.0658 177.3197 30 R 5.0788 9.0928 120.2611 53.8229 33.4450 177.3835 31 V 3.5707 8.5428 119.0273 66.6006 31.2746 178.4064 32 R 3.4680 8.2286 115.6245 59.3033 29.0918 178.6230 33 D 4.2329 7.9411 119.6401 56.8597 40.6914 178.3937 34 L 3.8581 7.6884 120.4598 58.0788 42.1632 178.8514 35 I 3.1809 7.5467 119.7643 64.3248 36.9367 178.2569 36 E 3.7727 7.8163 119.2710 59.2601 29.1664 179.1062 37 E 3.8911 8.0400 119.4288 59.0577 29.6659 178.8274 38 I 3.6205 7.8500 120.2823 64.4010 36.9303 178.5648 39 K 4.0997 7.6532 118.0332 59.2522 31.8777 179.0721 40 K 4.0821 7.7552 119.3268 59.5125 32.1992 178.8812 41 R 4.2808 7.9614 117.5505 57.7386 30.8153 176.2377 42 H 4.9225 8.2928 115.8400 53.2132 30.1012 173.5264 43 E 4.1695 8.6616 123.1792 58.7862 29.7012 180.0247 44 K 4.0847 8.0764 117.8442 58.8102 32.4060 177.7596 45 F 4.4669 8.7558 117.5101 58.9308 39.2750 177.7389 46 K 4.0770 8.1248 120.3010 59.2675 31.8498 177.6851 47 E 4.3593 8.1515 115.2356 56.6738 30.0028 175.7397 48 E 4.5903 7.8909 119.7134 54.9552 30.9771 175.6612 49 V 4.2005 9.1498 124.5646 62.2159 32.6869 174.7906 50 F 4.9242 9.2832 127.4103 56.8977 39.8591 175.9622 51 G 4.0601 9.1627 111.2618 45.3555 0.0000 172.5656 52 E 4.1572 8.3021 121.4650 54.7205 31.1488 176.8457 53 G 3.7411 8.5689 115.9610 46.3160 0.0000 171.9285 54 Y 3.7636 8.0366 123.4710 57.1148 39.1568 175.5328 55 D 3.9373 8.3154 129.3788 53.9219 42.9562 176.1022 56 E 3.9960 8.1342 123.5118 57.8572 30.0791 174.2607 57 D 4.5251 8.1192 115.3635 56.0578 41.3874 176.8311 58 A 4.3426 7.2200 120.5673 51.6872 19.4533 177.1516 59 D 4.6621 8.7555 119.5867 56.5790 42.2512 177.1419 60 V 4.4515 7.4483 117.0000 60.9123 35.0920 174.2084 61 N 5.4165 8.8456 124.0402 51.2739 42.4472 173.2691 62 I 5.3944 8.4911 112.5035 58.1527 41.1705 174.3835 63 A 4.9357 8.5745 123.1726 50.4050 23.1072 174.9477 64 V 4.4994 8.8796 121.6238 61.4110 33.6341 175.7572 65 N 3.9974 10.1791 127.9153 54.4789 36.6453 175.4079 66 G 3.8866 8.5022 102.6110 45.4557 0.0000 173.6990 67 R 4.5703 7.6017 118.3605 53.9099 33.1540 174.7817 68 Y 4.6537 8.3041 119.6880 58.2331 38.5357 175.4334 69 V 4.6302 8.1216 116.0862 59.5271 36.4097 174.8785 70 S 4.4887 8.3221 115.3431 57.4974 63.9322 175.3887 71 W 4.5545 9.4673 121.1887 59.3920 28.8314 177.7050 72 D 4.9413 7.7748 116.6946 53.8087 40.6959 176.0090 73 E 4.1093 7.9373 122.3526 56.4449 30.6427 175.7158 74 E 4.6382 8.7468 126.7986 56.0942 30.2703 176.5612 75 L 4.5162 8.7675 125.3281 54.5234 42.8353 176.5413 76 K 4.7106 9.4553 121.3296 54.0615 35.7912 175.4109 77 D 4.4670 8.6072 122.3646 56.1354 41.3840 176.8437 78 G 3.9954 9.0453 115.6930 44.8876 0.0000 173.2872 79 D 4.6454 8.0676 120.1384 54.6004 42.4496 175.4676 80 V 4.6776 9.0276 122.0035 61.2236 33.9450 174.4033 81 V 4.8751 9.0424 128.7178 61.1237 33.8081 174.6717 82 G 4.6171 9.1941 116.0856 45.6686 0.0000 172.6225 83 V 4.7676 9.4339 123.1719 60.9630 34.2328 174.2350 84 F 5.8637 8.2059 122.5434 54.5704 41.6827 172.1183 85 P 5.2511 0.0000 0.0000 61.6761 31.9662 174.4710 86 P 4.4796 0.0000 0.0000 62.8873 31.8184 176.5106 87 V 3.6322 8.8309 125.0606 63.7251 32.1596 176.6021 *88 S 4.2830 8.5712 122.0809 58.4221 62.8314 170.9407 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 S 8.33 4.61 0.00 3.89 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 2 V 8.87 4.16 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 0.92 0.00 0.00 3 K 9.93 4.97 0.00 1.87 1.64 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.38 7.81 4 V 8.66 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 0.61 0.00 0.00 0.95 0.00 0.00 5 K 8.75 4.66 0.00 1.81 1.67 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.35 7.81 6 V 8.90 4.56 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 0.27 0.00 0.00 0.83 0.00 0.00 7 K 8.91 4.72 0.00 1.73 1.37 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.35 7.81 8 Y 8.59 5.27 0.00 2.93 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 9 F 9.34 5.01 0.00 3.28 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 10 A 9.11 3.60 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 11 R 8.20 4.07 0.00 1.79 1.97 0.00 2.69 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.79 0.00 12 F 7.64 4.48 0.00 3.65 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 13 R 8.16 4.12 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 14 Q 7.68 4.00 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 15 L 7.69 3.97 0.00 1.34 1.14 0.53 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.01 3.83 0.33 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 0.00 0.00 17 G 8.20 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 18 V 6.93 4.58 2.30 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 0.79 0.00 0.00 1.04 0.00 0.00 19 D 8.70 4.82 0.00 2.61 2.68 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 20 E 8.07 5.34 0.00 2.03 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 2.19 2.32 0.00 21 E 9.08 4.83 0.00 2.10 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 0.00 2.37 2.36 0.00 22 E 8.78 4.84 0.00 1.88 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 2.34 0.00 23 I 8.85 4.49 1.84 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 1.24 0.74 0.88 0.00 0.00 24 E 8.84 4.71 0.00 1.84 1.87 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 2.29 2.33 0.00 25 L 9.01 4.91 0.00 1.57 1.48 0.88 0.89 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 26 P 0.00 4.62 0.00 2.05 1.95 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 27 E 8.71 3.89 0.00 1.91 1.89 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 2.30 2.35 0.00 28 G 8.96 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 29 A 7.70 4.18 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 30 R 9.09 5.08 0.00 1.89 2.00 0.00 3.17 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 1.63 1.68 0.00 31 V 8.54 3.57 2.45 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 1.18 0.00 0.00 1.05 0.00 0.00 32 R 8.23 3.47 0.00 1.75 2.12 0.00 2.81 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 33 D 7.94 4.23 0.00 2.77 2.68 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 34 L 7.69 3.86 0.00 1.68 1.75 0.85 0.96 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 35 I 7.55 3.18 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.32 -0.46 0.00 0.00 36 E 7.82 3.77 0.00 1.97 1.86 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 2.29 2.30 0.00 37 E 8.04 3.89 0.00 2.01 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 2.25 2.33 0.00 38 I 7.85 3.62 1.75 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 1.50 0.58 0.38 0.00 0.00 39 K 7.65 4.10 0.00 1.81 1.88 0.00 1.50 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.73 1.41 7.81 40 K 7.76 4.08 0.00 1.81 1.95 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 41 R 7.96 4.28 0.00 1.69 1.61 0.00 3.12 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 42 H 8.29 4.92 0.00 3.60 3.44 0.00 5.62 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 43 E 8.66 4.17 0.00 2.18 2.26 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 2.40 2.37 0.00 44 K 8.08 4.08 0.00 1.67 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 45 F 8.76 4.47 0.00 3.33 3.32 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 46 K 8.12 4.08 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.60 7.81 47 E 8.15 4.36 0.00 1.96 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 2.30 2.41 0.00 48 E 7.89 4.59 0.00 2.21 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 2.44 2.32 0.00 49 V 9.15 4.20 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 1.05 0.00 0.00 1.00 0.00 0.00 50 F 9.28 4.92 0.00 2.89 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 51 G 9.16 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 52 E 8.30 4.16 0.00 1.16 1.19 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 1.79 1.52 0.00 53 G 8.57 3.74 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 54 Y 8.04 3.76 0.00 1.66 2.52 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 55 D 8.32 3.94 0.00 2.47 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 0.00 0.00 0.00 0.00 56 E 8.13 4.00 0.00 2.03 1.85 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 2.23 1.90 0.00 57 D 8.12 4.53 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.22 4.34 1.37 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 59 D 8.76 4.66 0.00 2.78 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 60 V 7.45 4.45 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 0.00 0.00 0.29 0.00 0.00 -0.14 0.00 0.00 61 N 8.85 5.42 0.00 2.48 2.72 0.00 0.00 6.34 7.04 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 62 I 8.49 5.39 1.96 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 1.39 0.40 0.97 0.00 0.00 63 A 8.57 4.94 1.24 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 64 V 8.88 4.50 2.12 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 0.98 0.00 0.00 0.98 0.00 0.00 65 N 10.18 4.00 0.00 2.80 2.83 0.00 0.00 7.17 7.69 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 66 G 8.50 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 67 R 7.60 4.57 0.00 1.98 1.80 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 68 Y 8.30 4.65 0.00 3.08 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 69 V 8.12 4.63 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 0.82 0.00 0.00 1.04 0.00 0.00 70 S 8.32 4.49 0.00 4.12 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 71 W 9.47 4.55 0.00 3.45 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 72 D 7.77 4.94 0.00 2.67 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 73 E 7.94 4.11 0.00 2.24 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 2.38 0.00 74 E 8.75 4.64 0.00 1.91 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 2.32 2.51 0.00 75 L 8.77 4.52 0.00 1.61 1.58 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.46 4.71 0.00 1.79 1.67 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 77 D 8.61 4.47 0.00 2.61 2.59 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 0.00 0.00 0.00 0.00 78 G 9.05 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 0.00 0.00 0.00 79 D 8.07 4.65 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 80 V 9.03 4.68 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 0.90 0.00 0.00 0.99 0.00 0.00 81 V 9.04 4.88 2.04 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 1.00 0.00 0.00 0.93 0.00 0.00 82 G 9.19 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 9.43 4.77 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 1.00 0.00 0.00 0.83 0.00 0.00 84 F 8.21 5.86 0.00 3.20 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 85 P 0.00 5.25 0.00 2.25 2.26 0.00 3.80 0.00 0.00 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 86 P 0.00 4.48 0.00 2.07 2.14 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 87 V 8.83 3.63 2.34 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 0.79 0.00 0.00 0.92 0.00 0.00 *88 S 8.57 4.28 0.00 3.64 3.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.