NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.7661 8.1576 120.1369 57.0540 35.1029 173.9637 4 I 4.6501 7.8976 112.9497 58.5586 40.4987 172.4634 5 R 5.6077 9.2212 128.8295 54.2572 31.7217 175.8268 6 I 5.3572 8.3924 120.6458 58.1439 40.3460 174.8111 7 K 5.0510 8.6386 124.5680 54.6690 35.6186 175.3408 8 L 5.2394 9.2968 122.4219 52.0330 45.1306 175.6386 9 R 5.3030 7.6039 120.4565 53.7700 32.7984 175.1421 10 G 4.1891 8.1872 106.4888 46.6692 0.0000 173.4400 11 F 5.2276 8.8410 116.5055 57.4947 39.9084 176.2438 12 D 4.8633 7.9604 120.5475 52.6031 42.4015 176.1719 13 H 4.0788 8.6105 124.0873 58.8172 28.4844 177.6371 14 K 3.9187 7.5299 119.7469 59.7835 31.5014 178.5851 15 T 3.8981 9.1507 116.7376 65.6840 68.0879 176.3872 16 L 4.2544 8.0183 120.5945 58.5409 42.0116 179.8008 17 D 4.3616 8.3014 118.1386 56.6769 40.5888 178.5597 18 A 4.0664 9.2564 121.9529 54.9463 18.5986 179.5625 19 S 4.1338 8.0987 112.0456 60.4940 62.9027 176.0126 20 A 4.1633 7.6163 123.5303 54.1722 19.5218 178.7175 21 Q 4.0866 7.7971 114.9986 57.7966 29.3542 177.6232 22 K 4.1536 8.2370 120.5889 59.9355 32.3817 178.4110 23 I 3.7655 7.1811 119.2577 64.1746 37.1669 178.3535 24 V 3.7498 7.8269 119.5270 65.6684 31.3202 177.9685 25 E 4.0283 8.1803 118.0369 59.1691 29.2625 178.7970 26 A 4.7459 8.0150 116.0144 52.5933 18.4960 177.4714 27 A 4.5699 8.2073 121.4545 53.2161 21.5254 179.6731 28 R 3.8900 7.9398 114.9843 59.4304 30.0559 178.2880 29 R 4.2542 7.8851 110.9406 57.0260 30.3113 176.6907 30 S 4.6640 7.6728 112.2562 57.5806 63.8673 173.3874 31 G 4.5867 8.2213 107.7901 45.9393 0.0000 172.8447 32 A 4.0775 7.8194 121.0964 51.9592 18.7202 178.5242 33 Q 3.8530 8.6004 119.9075 57.2678 29.1957 173.5360 34 V 3.5132 7.5919 124.9860 62.1418 33.2433 172.8301 35 S 4.4051 9.8653 122.4067 58.3840 61.3249 174.6653 36 G 3.6523 8.1606 108.3129 44.9994 0.0000 170.7411 37 P 5.1163 0.0000 0.0000 61.5133 32.1887 175.1624 38 I 4.5111 9.1935 120.8698 58.1592 39.8983 173.1390 39 P 4.8621 0.0000 0.0000 62.1485 31.4288 175.9550 40 L 4.4310 8.3601 125.5579 53.1654 42.3948 175.7169 41 P 4.3102 0.0000 0.0000 63.8170 31.5524 175.7198 42 T 4.5018 8.2099 116.1460 63.0056 70.0853 174.1226 43 R 4.4631 8.4491 125.3600 54.8522 31.8538 174.7314 44 V 4.6356 8.3492 126.7232 61.2089 33.5806 174.7449 45 R 4.3674 8.5188 128.0079 54.7016 31.8046 174.7695 46 R 4.9633 8.2079 125.3840 55.3758 32.1186 176.4463 47 F 4.6963 9.9421 121.0555 56.2994 42.5394 173.8640 48 T 5.1357 8.7084 120.9946 61.7143 70.4508 174.4883 49 V 4.6271 8.1203 123.4973 59.7616 35.5495 174.7714 50 I 4.0956 8.3342 123.3495 61.2537 37.5439 176.5481 51 R 4.0078 8.2223 125.1685 58.7528 29.8575 177.5656 52 G 4.1652 7.7506 105.7912 43.2345 0.0000 172.8127 53 P 4.4824 0.0000 0.0000 64.6482 31.6810 176.5338 54 F 4.8908 7.5966 121.1018 57.3949 43.0061 175.4435 55 K 3.0369 8.7873 126.4397 57.3616 32.7682 174.6217 56 H 4.0223 8.3911 105.9014 56.5782 26.1209 175.9619 57 K 4.0654 8.2509 116.4630 58.1025 31.9677 176.0384 58 D 4.8632 8.1870 115.8534 54.6435 41.0120 176.9314 59 S 4.4382 7.7431 113.5359 58.5741 65.8377 177.1329 60 R 4.5483 7.7624 121.6872 55.5356 26.4252 179.2965 61 E 3.8707 9.3832 126.5752 57.5935 30.3032 172.0069 62 H 4.9971 8.0819 122.1668 54.4746 30.9810 174.4632 63 F 5.4826 9.0240 119.9383 55.8778 42.7542 173.6516 64 E 5.0902 9.2166 120.9179 54.4379 32.9187 175.4781 65 L 4.4060 8.7856 123.6787 53.4682 44.3171 175.0298 66 R 4.5905 8.2354 126.0562 55.2123 31.8705 176.2090 67 T 5.0305 8.7109 123.0507 62.7449 69.1962 174.7027 68 H 4.8911 9.3095 124.7826 55.7015 30.7492 174.4468 69 N 5.5132 8.6108 115.9018 51.8291 43.1221 173.7462 70 R 5.0477 9.0556 121.0187 54.2558 34.2799 174.0491 71 L 5.0188 9.3887 125.7097 53.2385 45.1448 175.2822 72 V 5.0469 8.5409 125.0174 60.6002 35.4610 173.4086 73 D 5.8500 8.6220 125.5969 51.6040 45.1945 174.7323 74 I 4.5702 8.2600 123.4075 58.8064 38.7662 175.9519 75 I 3.7382 8.1846 119.9445 61.1822 37.1251 175.5332 76 N 4.6820 9.0398 116.8271 52.3732 42.8070 174.8292 77 P 4.5911 0.0000 0.0000 64.4843 29.3184 175.5215 78 N 3.9119 9.2450 115.4985 52.8794 38.3937 175.9741 79 R 4.3362 8.4688 121.8527 57.8520 30.9288 177.7880 80 K 5.0198 7.8263 117.4199 58.7137 32.8904 178.2440 81 T 4.5667 7.9457 114.8750 66.3277 68.9305 176.4822 82 I 3.6800 7.1511 121.2628 64.1339 37.1663 176.9506 83 E 3.9250 7.4446 118.6237 59.2309 30.0663 178.9715 84 Q 4.0305 8.4849 118.3979 59.4342 31.2242 179.8100 85 L 3.9560 8.6334 115.3395 55.6634 40.0990 181.8912 86 M 2.9057 5.8600 119.8465 57.0743 35.7209 176.1165 87 T 4.6441 7.4800 120.0099 61.4422 69.7617 174.6021 88 L 4.6282 7.7461 125.6184 54.0051 43.6124 176.0111 89 D 4.6063 8.0936 117.7614 53.7377 39.9770 176.1649 90 L 4.6523 8.1267 117.0519 54.0693 45.2069 174.3745 91 P 4.7020 0.0000 0.0000 62.1972 32.6992 175.7083 92 T 4.2618 8.4632 115.9782 64.2848 70.3025 175.8114 93 G 4.1276 7.7312 109.2004 43.7146 0.0000 172.8462 94 V 4.4603 7.0938 116.2121 61.3339 35.0341 174.2380 95 E 4.8182 8.8288 127.2637 54.4983 32.7663 174.5228 96 I 4.9663 8.1487 123.8790 59.6821 41.0823 174.5060 97 E 4.9293 9.1366 125.5373 54.6569 32.4552 175.0229 98 I 4.8676 7.9003 114.2981 59.1925 41.0945 174.0085 99 K 4.2394 7.8256 125.2975 57.6269 36.7551 173.2587 100 T 5.5032 8.3043 117.1660 59.2335 73.0752 172.3695 *101 V 3.9004 8.2242 115.6229 62.3183 32.4044 174.9808 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 3 K 8.16 4.77 0.00 1.82 1.96 0.00 1.43 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.40 7.81 4 I 7.90 4.65 1.96 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 1.42 1.09 0.91 0.00 0.00 5 R 9.22 5.61 0.00 1.89 1.86 0.00 3.07 0.00 0.00 3.32 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 6 I 8.39 5.36 1.86 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 0.72 0.98 0.00 0.00 7 K 8.64 5.05 0.00 1.71 1.73 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 8 L 9.30 5.24 0.00 1.52 1.54 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.60 5.30 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 10 G 8.19 4.19 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 0.00 0.00 0.00 11 F 8.84 5.23 0.00 3.03 3.01 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 12 D 7.96 4.86 0.00 2.74 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 13 H 8.61 4.08 0.00 3.15 3.07 0.00 5.52 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 14 K 7.53 3.92 0.00 1.53 1.83 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 15 T 9.15 3.90 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 1.20 0.00 0.00 16 L 8.02 4.25 0.00 1.81 1.77 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.30 4.36 0.00 2.88 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 18 A 9.26 4.07 1.33 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 19 S 8.10 4.13 0.00 3.87 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 20 A 7.62 4.16 1.41 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 0.00 0.00 21 Q 7.80 4.09 0.00 2.20 2.23 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 2.37 2.41 0.00 22 K 8.24 4.15 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 23 I 7.18 3.77 1.87 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 1.40 0.79 0.91 0.00 0.00 24 V 7.83 3.75 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 1.03 0.00 0.00 1.01 0.00 0.00 25 E 8.18 4.03 0.00 2.06 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 2.52 2.46 0.00 26 A 8.02 4.75 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 27 A 8.21 4.57 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 28 R 7.94 3.89 0.00 1.77 2.00 0.00 3.39 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 29 R 7.89 4.25 0.00 1.91 2.04 0.00 2.97 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 30 S 7.67 4.66 0.00 4.14 4.05 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 31 G 8.22 4.59 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 0.00 0.00 0.00 32 A 7.82 4.08 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 33 Q 8.60 3.85 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.87 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 34 V 7.59 3.51 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 1.04 0.00 0.00 0.97 0.00 0.00 35 S 9.87 4.41 0.00 3.88 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 36 G 8.16 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 37 P 0.00 5.12 0.00 2.09 2.09 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 38 I 9.19 4.51 1.88 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 1.36 0.91 0.92 0.00 0.00 39 P 0.00 4.86 0.00 2.12 2.15 0.00 3.77 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 1.99 2.00 0.00 40 L 8.36 4.43 0.00 1.61 1.65 0.93 0.97 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 41 P 0.00 4.31 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 42 T 8.21 4.50 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 1.14 0.00 0.00 43 R 8.45 4.46 0.00 1.90 1.81 0.00 3.08 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 44 V 8.35 4.64 2.05 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 0.80 0.00 0.00 0.91 0.00 0.00 45 R 8.52 4.37 0.00 1.89 1.77 0.00 3.34 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.27 0.00 46 R 8.21 4.96 0.00 1.57 1.72 0.00 3.08 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 47 F 9.94 4.70 0.00 3.07 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 48 T 8.71 5.14 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 1.28 0.00 0.00 49 V 8.12 4.63 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 0.84 0.00 0.00 0.98 0.00 0.00 50 I 8.33 4.10 1.88 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 1.40 0.53 1.03 0.00 0.00 51 R 8.22 4.01 0.00 1.61 1.99 0.00 3.11 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 52 G 7.75 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 53 P 0.00 4.48 0.00 2.27 2.25 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 54 F 7.60 4.89 0.00 3.04 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 55 K 8.79 3.04 0.00 1.56 0.74 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.96 0.89 7.81 56 H 8.39 4.02 0.00 3.35 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.25 4.07 0.00 1.62 1.77 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.50 7.81 58 D 8.19 4.86 0.00 2.66 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 59 S 7.74 4.44 0.00 3.93 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 60 R 7.76 4.55 0.00 1.88 1.42 0.00 3.36 0.00 0.00 3.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 61 E 9.38 3.87 0.00 1.88 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 1.47 1.99 0.00 62 H 8.08 5.00 0.00 3.00 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.02 5.48 0.00 3.32 2.82 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 64 E 9.22 5.09 0.00 1.94 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 2.23 2.31 0.00 65 L 8.79 4.41 0.00 1.81 1.63 0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.24 4.59 0.00 1.68 1.75 0.00 3.46 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 67 T 8.71 5.03 4.33 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 1.32 0.00 0.00 68 H 9.31 4.89 0.00 3.14 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.61 5.51 0.00 2.80 2.66 0.00 0.00 6.58 7.66 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 70 R 9.06 5.05 0.00 1.69 1.78 0.00 3.24 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 71 L 9.39 5.02 0.00 1.61 1.62 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.54 5.05 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 1.16 0.00 0.00 0.93 0.00 0.00 73 D 8.62 5.85 0.00 2.58 2.48 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 74 I 8.26 4.57 1.87 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 1.40 1.06 0.91 0.00 0.00 75 I 8.18 3.74 1.87 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 1.49 0.52 0.91 0.00 0.00 76 N 9.04 4.68 0.00 2.69 2.75 0.00 0.00 6.78 7.91 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 77 P 0.00 4.59 0.00 2.17 2.14 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 78 N 9.25 3.91 0.00 2.80 2.74 0.00 0.00 7.03 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 79 R 8.47 4.34 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 80 K 7.83 5.02 0.00 1.69 1.92 0.00 1.49 0.00 0.00 2.51 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 81 T 7.95 4.57 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 1.27 0.00 0.00 82 I 7.15 3.68 1.87 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 1.30 1.00 0.91 0.00 0.00 83 E 7.44 3.92 0.00 2.30 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 2.33 2.34 0.00 84 Q 8.48 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 85 L 8.63 3.96 0.00 1.70 1.44 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 86 M 5.86 2.91 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 87 T 7.48 4.64 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 88 L 7.75 4.63 0.00 1.67 1.59 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.09 4.61 0.00 2.77 2.66 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 90 L 8.13 4.65 0.00 1.59 1.65 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.70 0.00 2.15 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 92 T 8.46 4.26 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 93 G 7.73 4.13 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 0.00 94 V 7.09 4.46 2.05 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 0.75 0.00 0.00 0.91 0.00 0.00 95 E 8.83 4.82 0.00 2.00 1.69 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 2.16 2.20 0.00 96 I 8.15 4.97 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 1.33 0.76 0.94 0.00 0.00 97 E 9.14 4.93 0.00 1.94 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 2.22 2.36 0.00 98 I 7.90 4.87 1.87 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 1.22 0.65 0.91 0.00 0.00 99 K 7.83 4.24 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.35 7.81 100 T 8.30 5.50 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 *101 V 8.22 3.90 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.