NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7167 8.2714 118.2140 52.3351 38.9577 174.9004 12 G 3.4566 8.4005 104.4752 46.9147 0.0000 170.8077 13 V 3.6649 8.1062 120.3569 65.8925 31.9746 175.7081 14 H 4.1807 8.8563 118.3172 59.4690 29.6921 176.6028 15 D 4.2933 7.8355 120.3591 57.5371 40.4049 178.8373 16 F 4.0224 8.3290 120.6694 61.4383 39.2789 177.3163 17 I 3.7799 8.0197 119.1531 64.3707 36.9761 178.1953 18 L 3.9305 8.1591 120.2500 57.9211 41.5684 179.7261 19 V 3.5271 7.8184 117.9529 66.3332 31.3129 178.3500 20 R 3.9530 7.5951 116.8133 58.5642 29.9413 179.0172 21 A 3.9949 8.2934 121.6016 55.4591 18.4189 179.8224 22 T 3.8988 8.1524 108.0799 64.7955 68.6288 176.4137 23 A 3.9707 7.9367 123.5955 55.1236 18.4622 179.6906 24 I 3.7089 7.5271 118.4875 64.3080 37.1205 178.7588 25 V 3.6536 7.7117 118.6425 66.2811 31.4517 178.2174 26 L 4.1493 8.3504 118.8293 58.0698 41.4231 179.7449 27 T 4.0107 8.2624 116.0427 66.4218 68.3566 176.8608 28 L 4.1837 8.1327 121.0539 57.8521 41.6141 178.7436 29 Y 3.1743 8.4507 119.6318 60.5958 38.7074 178.3274 30 I 3.6495 8.0672 120.7053 64.3152 37.0998 178.4472 31 I 3.7304 7.7804 120.6117 64.6596 37.1030 177.8856 32 Y 4.1419 8.1437 120.2747 60.9707 38.7216 177.9501 33 M 3.9656 8.2144 120.0261 58.2212 32.0100 178.9340 34 V 3.8274 8.4638 119.0072 65.4754 31.3954 178.2334 35 G 3.6326 8.0526 105.5023 47.7692 0.0000 174.9176 36 F 3.9883 7.7666 123.2706 60.8134 39.0715 176.9598 37 F 3.5156 7.9543 115.1320 60.5616 38.9306 177.5256 38 A 4.2403 8.1408 118.5692 53.7449 19.4658 177.8995 39 T 4.5599 7.3124 106.7765 59.4795 68.6130 173.0453 40 S 4.3423 7.4778 116.9841 57.8757 68.8299 176.9932 41 G 3.6341 7.5015 108.1773 45.8073 0.0000 175.4359 42 E 3.8769 8.9948 129.1871 56.5073 28.9691 177.3164 43 L 4.3740 7.9959 128.1571 53.6627 40.5298 177.4153 44 T 4.2103 7.4328 111.3913 61.1603 70.3313 175.9442 45 Y 4.3149 8.7545 123.2330 60.3558 38.6525 177.7878 46 E 4.0759 8.1577 119.3557 58.7178 30.1366 178.0353 47 V 3.8677 7.6465 111.8680 63.3068 31.5987 178.5222 48 W 4.4067 8.2116 128.6534 60.7148 30.4752 178.0502 49 I 3.6443 7.3680 116.7104 63.5461 37.5451 177.8339 50 G 3.6946 8.0021 106.9748 47.6091 0.0000 175.3162 51 F 4.0210 7.8596 123.5038 60.9309 39.1252 176.4983 52 F 3.9322 7.4581 112.9309 57.9605 38.9309 176.7654 53 A 4.3552 7.3613 120.5565 52.7958 19.3097 178.1426 54 S 3.9692 7.0994 111.3263 58.5225 63.1472 174.8296 55 A 3.9286 8.8209 129.2409 55.2869 18.0431 179.4300 56 F 3.8123 8.1983 118.4966 61.8944 39.4798 177.4153 57 T 3.8187 7.8043 114.6916 66.2843 68.2082 176.6699 58 K 3.8195 8.0768 120.6439 59.4758 32.1503 179.5465 59 V 3.4059 7.7973 118.3391 66.0295 31.4864 177.5844 60 F 4.0609 7.9693 120.4965 61.7711 38.9687 177.3512 61 T 3.5320 7.9590 115.0810 66.4938 68.3385 176.8664 62 L 3.7908 7.7950 120.9016 57.5975 41.5884 179.1013 63 L 4.0433 8.4848 120.4174 58.4186 41.9150 179.0463 64 A 3.9376 7.9529 120.5487 54.9110 18.1225 179.6718 65 L 3.9235 7.8949 117.7688 57.7952 41.6749 179.6036 66 F 4.1005 8.3130 117.7581 60.7763 38.9049 177.6513 67 S 4.2517 8.2153 114.7001 61.8563 62.5829 177.0445 68 I 3.7566 7.9074 122.1991 64.2598 36.7700 177.8143 69 L 4.0135 8.0481 121.3150 58.6892 41.8096 179.2175 70 I 3.8670 7.9938 119.1343 64.5975 37.1814 177.6031 71 H 4.0274 8.8088 119.0968 59.6598 29.6607 177.1446 72 A 4.1373 8.8190 122.6664 54.7411 18.1763 179.3980 73 W 4.4858 8.2131 126.8620 60.8438 30.9888 177.9135 74 I 3.2877 7.7340 119.8977 64.3845 36.7233 178.5601 75 G 3.5488 8.0916 105.9361 48.2747 0.0000 175.7146 76 M 4.1727 8.4511 122.1551 57.4528 31.8761 178.7433 77 W 3.8224 7.9668 128.6976 60.3299 30.5485 177.8604 78 Q 3.5910 7.7614 116.5112 58.8956 28.4845 178.8316 79 V 3.5674 7.4422 118.4242 66.1461 31.5166 177.9086 80 L 3.9953 7.8684 118.7893 57.8843 41.2850 178.9313 81 T 3.8840 7.0327 106.3908 62.5340 68.9613 175.6723 82 D 4.2273 7.2320 121.9008 56.3568 41.4225 176.6765 83 Y 4.5305 7.2410 114.3612 59.1167 39.2226 175.9920 84 V 4.0412 7.7860 120.8824 61.4465 30.3336 175.8992 85 K 4.0441 8.4199 125.1589 58.5159 32.6361 176.8980 86 P 4.2091 0.0000 0.0000 62.8662 32.2610 176.6857 87 L 3.9156 8.6708 124.1064 58.5586 42.1201 178.2785 88 A 3.9625 8.1135 119.9336 55.3600 18.2414 178.7908 89 L 3.8768 7.9531 116.8995 58.3072 42.0484 179.6147 90 R 3.8802 8.0192 118.2689 59.4874 30.1485 178.2937 91 L 4.0847 8.0597 118.8247 58.2263 41.6098 179.4762 92 M 4.0855 8.2394 118.4252 58.5494 31.8900 178.8812 93 L 4.0721 8.0416 119.0232 57.8692 41.6818 179.6141 94 Q 4.2406 8.6722 118.5835 58.7005 28.5668 178.3915 95 L 3.8386 8.0611 121.4232 58.3412 42.1139 178.8166 96 V 3.5236 7.6855 117.8697 66.3415 31.3998 177.6392 97 I 3.6436 8.0539 119.1831 64.6326 36.9734 178.6804 98 V 3.2631 7.9913 118.9520 65.8999 31.3420 178.0915 99 V 3.4344 7.8591 118.0739 65.9068 31.2000 177.5912 100 A 3.7914 8.4372 120.6028 55.2834 18.0675 179.5860 101 L 3.4156 7.4180 117.2172 57.8226 41.6345 180.0735 102 V 3.5347 7.9650 118.5148 65.6452 31.3062 178.0843 103 V 3.6070 8.1464 118.4964 66.5262 31.4047 177.4312 104 Y 4.6862 8.1780 116.5577 61.5289 37.7574 179.3988 105 V 3.5871 7.7301 118.8952 65.9043 31.6631 178.2129 106 I 3.7915 8.0151 119.6953 64.6592 37.0309 177.8479 107 Y 4.3467 9.2141 121.6926 60.5285 38.5166 178.3844 108 G 3.4778 8.2364 106.9568 47.6905 0.0000 175.7822 109 F 3.9292 8.2391 120.1739 59.9886 38.4868 177.9030 110 V 3.7759 7.6520 117.9018 65.4980 31.2209 178.2699 111 V 3.2832 7.2165 116.7894 66.1771 31.4878 178.1294 112 V 3.8223 7.6645 113.0304 64.3812 31.5944 178.3325 *113 W 4.1360 7.5327 117.4004 58.7323 28.4445 179.0561 114 G 4.1630 7.2588 106.9170 45.2546 0.0000 173.9034 115 V 3.9620 7.4062 123.3555 62.8083 31.8534 174.3678 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 11 N 8.27 4.72 0.00 2.96 3.04 0.00 0.00 6.02 6.18 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 12 G 8.40 3.46 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 13 V 8.11 3.66 2.22 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.86 4.18 0.00 3.31 3.45 0.00 5.68 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 15 D 7.84 4.29 0.00 2.91 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 16 F 8.33 4.02 0.00 3.27 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 17 I 8.02 3.78 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.96 0.95 0.00 0.00 18 L 8.16 3.93 0.00 1.64 1.68 0.77 0.67 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 19 V 7.82 3.53 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 0.88 0.00 0.00 0.77 0.00 0.00 20 R 7.60 3.95 0.00 1.79 1.86 0.00 2.33 0.00 0.00 2.76 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 21 A 8.29 3.99 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 22 T 8.15 3.90 4.43 0.00 0.00 0.00 0.00 0.00 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 23 A 7.94 3.97 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 24 I 7.53 3.71 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.25 0.95 0.00 0.00 25 V 7.71 3.65 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 1.14 0.00 0.00 0.95 0.00 0.00 26 L 8.35 4.15 0.00 1.81 1.76 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.26 4.01 4.48 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 1.27 0.00 0.00 28 L 8.13 4.18 0.00 2.22 2.08 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.45 3.17 0.00 2.91 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 30 I 8.07 3.65 2.00 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 1.57 0.55 0.93 0.00 0.00 31 I 7.78 3.73 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.00 0.00 0.00 32 Y 8.14 4.14 0.00 3.25 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 33 M 8.21 3.97 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 34 V 8.46 3.83 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 1.10 0.00 0.00 0.90 0.00 0.00 35 G 8.05 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 36 F 7.77 3.99 0.00 2.51 2.71 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 37 F 7.95 3.52 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 38 A 8.14 4.24 1.32 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 0.00 0.00 39 T 7.31 4.56 4.14 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 1.15 0.00 0.00 40 S 7.48 4.34 0.00 3.40 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 41 G 7.50 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 42 E 8.99 3.88 0.00 1.95 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 2.30 2.29 0.00 43 L 8.00 4.37 0.00 1.57 1.55 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.43 4.21 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 1.25 0.00 0.00 45 Y 8.75 4.31 0.00 3.17 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 46 E 8.16 4.08 0.00 2.20 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 2.36 2.45 0.00 47 V 7.65 3.87 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 0.90 0.00 0.00 1.19 0.00 0.00 48 W 8.21 4.41 0.00 3.40 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 49 I 7.37 3.64 1.37 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.78 0.00 0.00 50 G 8.00 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 51 F 7.86 4.02 0.00 2.76 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 52 F 7.46 3.93 0.00 2.64 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 53 A 7.36 4.36 1.32 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 0.00 0.00 54 S 7.10 3.97 0.00 3.80 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 55 A 8.82 3.93 1.32 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 0.00 0.00 56 F 8.20 3.81 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 3.82 3.87 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 0.07 0.00 0.00 58 K 8.08 3.82 0.00 1.86 1.77 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.50 7.81 59 V 7.80 3.41 1.95 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 0.59 0.00 0.00 0.86 0.00 0.00 60 F 7.97 4.06 0.00 2.68 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 61 T 7.96 3.53 4.50 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 1.25 0.00 0.00 62 L 7.80 3.79 0.00 1.54 1.55 0.32 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.48 4.04 0.00 1.68 1.93 0.85 0.99 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 64 A 7.95 3.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 3.92 0.00 1.72 1.60 0.83 0.98 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 66 F 8.31 4.10 0.00 3.27 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 67 S 8.22 4.25 0.00 4.11 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 68 I 7.91 3.76 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 1.08 0.00 0.00 69 L 8.05 4.01 0.00 1.78 2.08 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.99 3.87 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.97 0.00 0.00 71 H 8.81 4.03 0.00 3.29 3.45 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.82 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.21 4.49 0.00 3.38 3.38 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 74 I 7.73 3.29 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.80 0.00 0.00 75 G 8.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.45 4.17 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 77 W 7.97 3.82 0.00 2.12 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 78 Q 7.76 3.59 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 79 V 7.44 3.57 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 1.27 0.00 0.00 0.98 0.00 0.00 80 L 7.87 4.00 0.00 1.69 1.63 1.04 0.58 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 81 T 7.03 3.88 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 0.16 0.00 0.00 82 D 7.23 4.23 0.00 1.85 1.65 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 83 Y 7.24 4.53 0.00 2.96 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 84 V 7.79 4.04 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 0.78 0.00 0.00 0.98 0.00 0.00 85 K 8.42 4.04 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.21 0.00 2.16 2.02 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 87 L 8.67 3.92 0.00 1.77 1.68 0.96 0.98 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 88 A 8.11 3.96 1.32 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 0.00 0.00 89 L 7.95 3.88 0.00 1.78 1.71 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.02 3.88 0.00 2.07 1.93 0.00 3.08 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 91 L 8.06 4.08 0.00 1.90 1.76 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.24 4.09 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.04 4.07 0.00 1.91 1.78 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.67 4.24 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 3.06 2.64 0.00 95 L 8.06 3.84 0.00 1.86 1.86 0.86 0.69 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 96 V 7.69 3.52 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 0.97 0.00 0.00 97 I 8.05 3.64 2.17 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 1.11 0.00 0.00 98 V 7.99 3.26 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.15 0.00 0.00 99 V 7.86 3.43 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 0.97 0.00 0.00 0.94 0.00 0.00 100 A 8.44 3.79 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 0.00 101 L 7.42 3.42 0.00 1.81 1.66 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.96 3.53 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 0.94 0.00 0.00 0.87 0.00 0.00 103 V 8.15 3.61 2.32 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 1.07 0.00 0.00 0.98 0.00 0.00 104 Y 8.18 4.69 0.00 3.23 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 0.00 105 V 7.73 3.59 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 0.60 0.00 0.00 0.71 0.00 0.00 106 I 8.02 3.79 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.94 0.00 0.00 107 Y 9.21 4.35 0.00 3.02 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 0.00 108 G 8.24 3.48 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 0.00 109 F 8.24 3.93 0.00 3.44 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 0.00 110 V 7.65 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 0.95 0.00 0.00 0.97 0.00 0.00 111 V 7.22 3.28 1.79 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 0.69 0.00 0.00 0.22 0.00 0.00 112 V 7.66 3.82 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 0.71 0.00 0.00 0.84 0.00 0.00 *113 W 7.53 4.14 0.00 2.56 2.22 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 0.00 114 G 7.26 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 0.00 115 V 7.41 3.96 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 0.78 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.