NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2326 0.0000 0.0000 62.5622 32.6707 175.7691 2 I 3.0687 7.5952 121.3346 58.1110 35.7142 173.1980 3 T 3.6598 8.2877 114.3137 63.0044 68.8060 173.0130 4 K 3.8953 8.4803 121.4869 59.9274 32.1203 179.5228 5 E 4.3422 8.0741 114.7530 56.5243 28.5770 176.3281 6 E 4.7239 8.5837 116.6085 57.0544 36.0368 177.3885 7 K 3.8577 9.0222 121.4899 59.6078 32.6306 178.3878 8 Q 4.1430 7.8985 118.5079 58.6815 29.4301 176.9063 9 K 4.1190 8.0905 116.4972 59.7237 32.3012 179.1970 10 V 3.9235 8.0689 109.3372 62.3339 30.5540 177.7952 *12 Q 4.2714 7.9919 118.6776 55.4180 30.5151 175.5701 13 E 4.2253 8.5481 118.4405 57.4435 30.4272 176.5875 14 F 4.3078 8.1131 113.9007 57.3615 39.8170 175.9543 15 A 4.1182 7.8552 123.6618 52.7476 18.4246 177.7146 16 R 4.2751 8.9773 120.1684 56.6925 30.9828 176.7234 17 F 4.6811 6.8912 111.0380 55.2749 39.6791 170.4084 18 P 4.6756 0.0000 0.0000 61.2585 29.1684 174.7772 19 G 3.7110 8.1825 120.4299 46.0514 0.0000 170.7008 20 D 3.9978 7.4847 122.7842 54.5450 41.2342 175.9083 21 T 4.6813 8.3116 113.0158 61.3420 70.6740 174.7234 22 G 4.2198 7.9453 111.9841 44.9468 0.0000 172.8933 23 S 4.5399 8.2083 111.5026 58.8148 64.0508 174.9949 24 T 3.7563 8.3305 122.6237 66.1672 66.7282 174.1042 25 E 3.9492 7.8063 118.8493 59.4349 29.6307 178.7006 26 V 3.4934 7.5078 119.2835 65.4212 31.3736 177.8994 27 Q 3.9133 7.9890 117.1322 59.1455 29.1512 178.2280 28 V 3.6545 8.1364 119.3001 66.5850 31.6612 176.9966 29 A 3.4476 8.3674 120.1568 55.6619 17.3823 178.9185 30 L 4.0105 8.1073 117.2938 57.6545 40.7504 179.3628 31 L 4.0174 7.7147 121.9832 58.2202 42.2594 178.2219 32 T 4.1694 8.1507 114.9906 65.0408 68.5990 176.6099 33 L 4.0442 7.3978 122.5122 57.5433 42.2066 178.0621 34 R 4.3373 7.7176 113.6008 57.0194 29.8025 178.0199 35 I 3.8098 7.1249 118.5583 64.1150 38.3184 177.1678 36 N 4.4447 7.7927 116.4246 56.4235 37.1673 177.3829 37 R 4.1342 7.6267 119.6003 58.8905 30.0332 177.0339 38 L 4.6168 7.4727 116.7998 55.5113 43.2209 178.1385 39 S 4.0974 8.2806 113.0641 61.5127 62.5482 175.4170 40 E 4.1131 8.2064 120.7922 60.0142 29.3117 178.1337 41 H 4.1471 7.7720 115.9348 59.3249 29.5565 176.9961 42 L 3.9449 8.3630 120.5525 58.2132 41.3319 179.7474 43 K 4.0041 7.6293 117.8537 59.4111 32.1078 178.8525 44 V 3.7823 7.7403 117.7190 64.9527 32.6533 175.8190 45 H 4.7836 7.8511 116.1632 53.8078 28.1374 174.4478 46 K 4.4066 8.0357 118.8397 56.9434 32.4810 177.9534 47 K 4.3573 7.7435 117.1613 56.3875 32.8498 176.9831 48 D 4.3226 7.8429 119.1199 57.5412 40.8642 175.1610 49 H 4.1876 7.8715 119.0787 57.2144 30.1331 175.5465 50 H 3.8934 8.3968 116.8087 59.9348 29.5953 177.4904 51 S 4.2398 8.1453 115.6034 61.3930 62.7040 175.8495 52 H 4.1543 8.9837 122.0244 58.7072 29.2412 177.1876 53 R 3.9555 7.5874 119.4734 59.5304 30.0495 178.8664 54 G 3.6664 7.9204 103.0686 47.3696 0.0000 174.8174 55 L 4.1062 7.2316 121.9816 57.5602 43.6249 178.8596 56 L 4.1787 7.5580 119.8816 54.2553 37.6972 177.2703 *59 V 3.9712 7.5618 122.0881 62.7338 34.0808 177.6687 60 G 3.5674 8.2429 106.3336 47.7841 0.0000 175.2777 61 Q 3.9580 8.0490 121.9071 59.0132 29.0494 178.3205 62 R 3.8939 7.9623 119.0625 59.4859 30.1402 178.1689 63 R 4.0707 7.9621 118.1910 58.9972 30.1440 178.6176 64 R 4.0418 8.1214 118.2822 58.7920 30.0121 178.9441 65 L 4.0475 8.0245 118.9409 57.8347 41.7566 179.1556 66 L 4.1361 7.7506 118.5543 58.2028 41.2056 179.7575 67 R 3.7977 8.1767 118.2971 59.3026 29.9362 177.8835 68 Y 4.0867 7.8888 119.2356 60.6854 38.8381 177.7104 69 L 3.7689 8.4006 120.3490 56.8055 41.9493 178.0368 70 Q 3.7505 7.3542 117.9590 58.6044 28.9999 177.4890 71 R 4.0364 7.0857 117.2803 58.9788 30.5642 177.9224 72 E 4.0192 7.3634 116.2235 59.0911 29.9465 177.5711 73 D 4.7251 7.5411 117.0620 50.8254 42.3601 172.8061 74 P 4.4443 0.0000 0.0000 65.7474 31.3070 177.0457 75 E 3.9107 8.3729 115.0879 60.4134 28.9183 179.3898 76 R 4.0201 8.3670 119.5511 58.2008 30.3872 178.4000 77 Y 4.3259 8.1838 119.8661 60.6132 38.6099 179.3120 78 R 3.8830 7.2948 114.7051 56.3069 30.3168 177.6107 *80 L 4.4482 7.9137 122.3685 55.1794 43.8117 178.4295 81 I 3.6028 7.6866 110.5822 62.1605 37.5500 174.9092 82 E 4.6732 7.8946 123.0493 55.1735 31.5060 175.7787 83 K 3.9838 8.7533 116.0853 57.1850 30.2135 175.2907 84 L 4.5610 8.2428 116.6863 54.9848 49.7431 172.6374 85 G 3.9369 7.9393 115.0666 44.9322 0.0000 173.4734 86 I 4.0135 8.2497 116.8495 60.9543 37.8870 175.4810 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 P 0.00 4.23 0.00 2.19 2.24 0.00 3.80 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 1.88 2.00 0.00 2 I 7.60 3.07 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.93 0.00 0.00 3 T 8.29 3.66 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 1.21 0.00 0.00 4 K 8.48 3.90 0.00 1.86 1.87 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 E 8.07 4.34 0.00 1.93 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 2.29 2.33 0.00 6 E 8.58 4.72 0.00 2.22 1.82 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 2.23 2.45 0.00 7 K 9.02 3.86 0.00 1.66 1.84 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 8 Q 7.90 4.14 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 9 K 8.09 4.12 0.00 1.90 1.88 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 10 V 8.07 3.92 2.14 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 0.79 0.00 0.00 0.99 0.00 0.00 *12 Q 7.99 4.27 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 13 E 8.55 4.23 0.00 2.01 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 0.00 1.83 2.10 0.00 14 F 8.11 4.31 0.00 3.03 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 15 A 7.86 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 16 R 8.98 4.28 0.00 1.88 2.16 0.00 3.53 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 17 F 6.89 4.68 0.00 3.23 3.15 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 18 P 0.00 4.68 0.00 2.27 2.22 0.00 4.05 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 2.15 2.07 0.00 19 G 8.18 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 20 D 7.48 4.00 0.00 1.58 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 0.00 0.00 0.00 0.00 21 T 8.31 4.68 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 1.23 0.00 0.00 22 G 7.95 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 23 S 8.21 4.54 0.00 4.05 4.27 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.76 4.35 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 1.38 0.00 0.00 25 E 7.81 3.95 0.00 2.29 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 2.53 2.39 0.00 26 V 7.51 3.49 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 0.99 0.00 0.00 0.94 0.00 0.00 27 Q 7.99 3.91 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 28 V 8.14 3.65 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 0.89 0.00 0.00 0.99 0.00 0.00 29 A 8.37 3.45 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 30 L 8.11 4.01 0.00 1.90 1.89 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.71 4.02 0.00 2.06 1.72 0.91 0.66 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 32 T 8.15 4.17 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 1.17 0.00 0.00 33 L 7.40 4.04 0.00 1.75 1.71 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 34 R 7.72 4.34 0.00 2.05 2.13 0.00 2.99 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 35 I 7.12 3.81 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 0.93 0.00 0.00 36 N 7.79 4.44 0.00 2.89 2.84 0.00 0.00 6.60 7.54 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 37 R 7.63 4.13 0.00 2.21 1.96 0.00 3.10 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 38 L 7.47 4.62 0.00 1.82 1.71 0.88 0.74 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 39 S 8.28 4.10 0.00 4.04 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 40 E 8.21 4.11 0.00 2.07 2.01 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 2.41 2.39 0.00 41 H 7.77 4.15 0.00 3.22 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.36 3.94 0.00 1.95 1.79 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.63 4.00 0.00 1.94 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 44 V 7.74 3.78 2.14 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 0.60 0.00 0.00 0.92 0.00 0.00 45 H 7.85 4.78 0.00 3.15 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.04 4.41 0.00 1.74 1.85 0.00 1.77 0.00 0.00 2.35 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.44 7.81 47 K 7.74 4.36 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 48 D 7.84 4.32 0.00 2.82 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 49 H 7.87 4.19 0.00 3.38 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.40 3.89 0.00 3.48 3.38 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.15 4.24 0.00 3.96 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 52 H 8.98 4.15 0.00 3.11 3.35 0.00 5.61 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 53 R 7.59 3.96 0.00 1.84 1.94 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 54 G 7.92 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.23 4.11 0.00 1.56 1.74 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.56 4.18 0.00 1.92 1.57 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *59 V 7.56 3.97 2.25 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 0.97 0.00 0.00 1.02 0.00 0.00 60 G 8.24 3.57 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 0.00 0.00 0.00 61 Q 8.05 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 62 R 7.96 3.89 0.00 1.86 2.07 0.00 3.40 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 63 R 7.96 4.07 0.00 2.01 2.04 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 64 R 8.12 4.04 0.00 2.05 1.97 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 65 L 8.02 4.05 0.00 1.76 1.79 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.75 4.14 0.00 2.08 1.92 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.18 3.80 0.00 2.05 1.95 0.00 3.08 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 68 Y 7.89 4.09 0.00 3.16 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 69 L 8.40 3.77 0.00 1.85 1.74 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.35 3.75 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.70 0.00 0.00 0.00 0.00 0.00 1.94 1.24 0.00 71 R 7.09 4.04 0.00 1.72 1.87 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 72 E 7.36 4.02 0.00 1.49 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 1.96 2.17 0.00 73 D 7.54 4.73 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.20 2.13 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 75 E 8.37 3.91 0.00 2.20 2.24 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 2.33 2.74 0.00 76 R 8.37 4.02 0.00 2.14 2.11 0.00 3.21 0.00 0.00 3.65 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 77 Y 8.18 4.33 0.00 3.19 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 78 R 7.29 3.88 0.00 1.98 1.91 0.00 3.47 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 *80 L 7.91 4.45 0.00 1.80 1.67 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.69 3.60 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.15 0.07 0.00 0.00 82 E 7.89 4.67 0.00 2.11 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 2.21 2.24 0.00 83 K 8.75 3.98 0.00 2.18 2.02 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.53 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 1.45 7.81 84 L 8.24 4.56 0.00 1.61 1.62 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.94 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 0.00 0.00 0.00 86 I 8.25 4.01 1.90 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 1.21 0.70 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.