NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6952 8.2714 118.2143 52.1935 39.0296 174.7738 12 G 3.5340 8.6086 104.7026 47.3274 0.0000 170.6556 13 V 3.6629 8.0038 120.5217 65.7885 32.0350 175.8933 14 H 4.2708 9.2473 118.4280 59.3096 29.6780 176.9254 15 D 4.2458 7.9892 120.4843 57.4383 40.1799 178.2843 16 F 4.0016 8.1845 121.0324 61.6427 39.2042 177.4157 17 I 3.7988 7.9077 118.7288 64.4314 37.0125 178.3107 18 L 3.9858 7.9615 119.8251 57.8803 41.5528 179.8037 19 V 3.5623 7.9447 118.2065 66.1052 31.4751 178.3018 20 R 3.9213 7.6047 116.5459 58.5818 29.8781 178.8060 21 A 3.9649 8.3590 121.4723 55.5224 18.4034 179.9094 22 T 3.9265 8.1278 107.9885 64.7054 68.9461 176.5869 23 A 4.0043 7.8533 123.5339 55.0735 18.4095 179.7130 24 I 3.7465 7.7804 118.3478 64.3500 37.1752 178.8257 25 V 3.7042 7.6742 118.7121 66.2170 31.4366 178.2234 26 L 4.1920 8.3845 118.7952 57.8482 41.3783 179.6622 27 T 3.9861 7.9562 115.8226 66.5366 68.3656 176.7814 28 L 4.1851 8.0386 120.6176 57.9246 41.6285 178.8833 29 Y 3.1975 8.3685 119.6513 60.4148 38.6514 178.1025 30 I 3.6882 8.1174 120.9443 64.3579 37.1900 178.4352 31 I 3.8124 7.8410 120.7702 64.3950 36.7620 177.9383 32 Y 4.1155 8.0675 120.3705 61.1135 38.8360 177.9459 33 M 3.9478 8.1507 120.0654 58.2231 31.9230 179.0019 34 V 3.8009 8.4114 119.1386 65.6865 31.4685 178.0535 35 G 3.7159 7.9320 104.7423 47.9442 0.0000 174.9293 36 F 3.9691 7.6149 123.1629 60.9063 39.0895 176.9584 37 F 3.6088 7.7672 115.4842 60.3347 38.8637 176.8057 38 A 4.4365 7.9877 117.4339 52.1877 19.9286 178.1483 39 T 4.6062 7.4156 107.5467 59.6151 69.0270 173.9824 40 S 4.3494 7.7724 114.4185 58.0199 68.2411 177.6928 41 G 3.5382 7.8782 110.2244 46.0324 0.0000 173.1231 42 E 3.7880 8.8226 121.4378 57.2803 29.8201 178.2329 43 L 4.3960 8.1771 126.2718 53.6686 40.6399 176.9202 44 T 4.1578 7.6015 115.8951 61.6538 70.0661 173.2751 45 Y 4.3192 8.8180 126.3076 60.7363 38.6302 178.5712 46 E 3.8229 8.4404 120.3241 59.4673 30.0408 179.2032 47 V 3.7732 7.8474 111.8636 63.8278 31.4590 178.3719 48 W 4.3459 8.2630 128.3038 60.6959 30.5115 177.9830 49 I 3.7878 7.7340 117.9877 63.4957 37.0899 178.0616 50 G 3.5557 7.8323 106.4313 47.5332 0.0000 175.2836 51 F 4.1231 8.0124 122.6871 60.7066 39.1327 176.4436 52 F 3.9908 7.3855 113.8746 57.7765 39.0383 176.7162 53 A 4.2604 7.2037 120.4086 52.2313 19.6176 177.8629 54 S 4.0588 6.9931 111.7750 57.8857 63.2729 174.9917 55 A 3.9905 8.6461 128.8544 55.1856 18.0918 179.7920 56 F 3.9087 7.9384 118.9235 61.6630 39.4359 177.6317 57 T 3.7280 7.7239 114.9096 66.2947 68.2638 176.6075 58 K 3.8202 7.8782 120.3634 59.4979 32.0933 179.4672 59 V 3.4341 7.5545 118.1193 66.0400 31.5081 177.7511 60 F 4.1888 7.7770 120.3064 61.6233 39.0911 177.2812 61 T 3.6025 8.1415 115.3960 66.5686 68.3003 176.8601 62 L 3.8776 7.8643 120.9276 57.4983 41.5641 179.2492 63 L 4.0374 8.3760 120.6437 58.1477 41.9755 178.9523 64 A 3.8810 7.7901 120.6868 55.0483 18.1623 179.6320 65 L 3.9892 7.7919 117.5318 57.8928 41.7009 179.7855 66 F 4.1119 8.3269 117.8918 60.6276 38.8285 177.9382 67 S 4.2467 8.2663 114.8961 61.6187 62.5553 176.8018 68 I 3.7960 8.3000 123.0530 64.0797 36.8423 177.9118 69 L 4.0125 8.0196 121.2522 58.4701 41.8680 179.2950 70 I 3.8277 7.7886 119.1219 64.5792 37.1217 177.9118 71 M 3.9668 8.5214 119.1658 58.8751 32.1173 178.1372 72 A 4.0931 8.7119 121.1083 54.7744 18.5928 179.3860 73 W 4.6290 8.4109 126.8700 60.9564 30.7507 178.2702 74 I 3.4088 7.8116 119.8558 64.0929 36.3819 178.7092 75 G 3.6074 8.2163 106.4651 48.2961 0.0000 175.7852 76 M 4.1872 8.6770 122.0870 57.5665 32.0013 178.6897 77 W 3.8487 8.0316 128.7066 60.3703 30.2478 178.1251 78 Q 3.7728 7.9415 119.3629 58.0505 28.1866 178.7662 79 V 3.2514 7.4874 119.2100 65.8589 31.5541 178.1628 80 L 3.9758 7.8573 119.0200 57.8507 41.5752 179.1799 81 T 3.7307 7.2571 108.0083 63.2374 68.3256 175.6923 82 D 4.2569 6.7608 121.1297 56.1045 41.6234 177.2216 83 Y 5.0225 7.2522 113.9389 56.9969 39.8024 175.8566 84 V 4.1893 7.7952 119.6896 61.0677 31.3480 175.4322 85 K 4.0485 8.5567 126.4994 58.5521 32.6174 177.0698 86 P 4.1895 0.0000 0.0000 62.8124 32.0099 176.3119 87 L 3.8690 8.6668 124.3932 58.2456 42.1949 178.4662 88 A 3.9888 8.0429 119.9752 55.4051 18.3112 179.1931 89 L 3.9244 7.8904 118.0680 58.2273 42.1035 179.0488 90 R 3.9173 8.0487 118.7559 59.4036 30.0912 178.4794 91 L 4.0850 8.2334 119.0336 58.0596 41.5834 179.4741 92 M 4.1119 8.0820 118.6774 58.4065 31.9169 178.8391 93 L 4.0987 8.0055 119.1417 57.8213 41.6781 179.5793 94 Q 4.3198 8.5448 118.4173 58.5265 28.5644 178.4198 95 L 3.8094 7.9783 121.6128 58.0827 42.1764 179.0536 96 V 3.5198 7.7313 118.1237 66.0790 31.4097 178.0128 97 I 3.6375 7.7454 119.3270 64.3363 36.9208 178.5643 98 V 3.1323 7.6436 119.1130 65.8162 31.2284 178.0127 99 V 3.4048 7.7571 117.8468 65.9933 31.2261 177.7490 100 A 3.7501 7.9044 120.3117 55.0808 18.0322 179.6174 101 L 3.4362 7.6553 117.4361 57.7822 41.6785 179.9712 102 V 3.4964 7.8431 118.4576 65.8251 31.4340 178.1988 103 V 3.6199 7.9985 118.5159 66.0491 31.3161 177.3785 104 Y 4.4423 8.0294 116.7223 61.3815 37.8454 179.0089 105 V 3.5489 7.6175 118.6256 66.0857 31.6317 178.0737 106 I 3.7871 7.8998 119.4716 64.7194 37.0143 177.8193 107 Y 4.3097 8.8432 120.8076 60.6415 38.5444 178.3927 108 G 3.5592 8.3670 106.8493 47.6590 0.0000 175.7570 109 F 3.8957 8.1770 120.0492 60.3385 38.7407 177.9684 110 V 3.6127 7.5969 116.6781 65.8982 31.3585 177.9814 111 V 3.5283 7.3568 117.1492 65.9119 31.5577 178.0778 112 V 3.8590 7.7810 114.4906 64.4122 31.3832 179.1658 *113 W 4.1442 8.1702 121.6187 59.8333 28.8174 178.7917 114 G 4.4038 7.4582 105.5905 45.7459 0.0000 173.5152 115 V 3.9722 7.4857 122.4168 62.7774 31.8779 174.6258 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 4.70 0.00 2.96 3.03 0.00 0.00 5.99 6.08 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 12 G 8.61 3.53 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 0.00 13 V 8.00 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 1.04 0.00 0.00 0.89 0.00 0.00 14 H 9.25 4.27 0.00 3.33 3.38 0.00 5.84 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 7.99 4.25 0.00 2.91 2.67 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 16 F 8.18 4.00 0.00 3.27 3.25 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 17 I 7.91 3.80 2.09 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 1.69 0.84 0.96 0.00 0.00 18 L 7.96 3.99 0.00 1.77 1.70 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.94 3.56 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 0.95 0.00 0.00 0.94 0.00 0.00 20 R 7.60 3.92 0.00 1.74 1.86 0.00 2.45 0.00 0.00 2.73 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 21 A 8.36 3.96 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 8.13 3.93 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 23 A 7.85 4.00 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.78 3.75 2.04 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 1.18 0.95 0.00 0.00 25 V 7.67 3.70 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 1.17 0.00 0.00 0.97 0.00 0.00 26 L 8.38 4.19 0.00 1.83 1.79 0.97 0.91 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 27 T 7.96 3.99 4.47 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 1.27 0.00 0.00 28 L 8.04 4.19 0.00 2.21 2.07 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.37 3.20 0.00 2.71 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 30 I 8.12 3.69 1.97 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 1.61 0.71 0.94 0.00 0.00 31 I 7.84 3.81 2.13 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 0.90 0.99 0.00 0.00 32 Y 8.07 4.12 0.00 3.25 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 33 M 8.15 3.95 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 34 V 8.41 3.80 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 0.97 0.00 0.00 35 G 7.93 3.72 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 0.00 0.00 0.00 36 F 7.61 3.97 0.00 2.20 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 37 F 7.77 3.61 0.00 3.08 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 38 A 7.99 4.44 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 39 T 7.42 4.61 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 1.15 0.00 0.00 40 S 7.77 4.35 0.00 3.53 3.24 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 41 G 7.88 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.82 3.79 0.00 1.96 1.98 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 2.32 2.32 0.00 43 L 8.18 4.40 0.00 1.61 1.62 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.60 4.16 4.30 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 1.27 0.00 0.00 45 Y 8.82 4.32 0.00 3.14 3.04 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 0.00 46 E 8.44 3.82 0.00 2.19 1.98 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 2.33 2.38 0.00 47 V 7.85 3.77 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 0.96 0.00 0.00 1.17 0.00 0.00 48 W 8.26 4.35 0.00 3.60 3.26 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 49 I 7.73 3.79 1.49 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.79 0.00 0.00 50 G 7.83 3.56 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 0.00 0.00 0.00 51 F 8.01 4.12 0.00 2.57 2.53 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 52 F 7.39 3.99 0.00 2.63 2.79 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 53 A 7.20 4.26 1.31 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 54 S 6.99 4.06 0.00 3.81 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 55 A 8.65 3.99 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 7.94 3.91 0.00 3.09 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 57 T 7.72 3.73 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 0.16 0.00 0.00 58 K 7.88 3.82 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 V 7.55 3.43 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 0.86 0.00 0.00 0.91 0.00 0.00 60 F 7.78 4.19 0.00 2.68 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 61 T 8.14 3.60 4.42 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 1.29 0.00 0.00 62 L 7.86 3.88 0.00 1.66 1.54 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.38 4.04 0.00 1.75 1.94 0.88 0.82 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 7.79 3.88 0.50 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 0.00 0.00 65 L 7.79 3.99 0.00 1.80 1.64 0.87 0.96 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 66 F 8.33 4.11 0.00 3.27 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 67 S 8.27 4.25 0.00 4.08 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 68 I 8.30 3.80 2.09 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 1.46 1.07 1.05 0.00 0.00 69 L 8.02 4.01 0.00 1.76 1.91 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.79 3.83 1.95 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 1.51 0.78 0.95 0.00 0.00 71 M 8.52 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 72 A 8.71 4.09 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 8.41 4.63 0.00 3.43 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 74 I 7.81 3.41 1.82 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 1.22 1.37 0.83 0.00 0.00 75 G 8.22 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 0.00 0.00 0.00 76 M 8.68 4.19 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.97 0.00 77 W 8.03 3.85 0.00 2.17 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 7.94 3.77 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 79 V 7.49 3.25 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 1.22 0.00 0.00 0.98 0.00 0.00 80 L 7.86 3.98 0.00 1.55 1.61 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 7.26 3.73 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 0.01 0.00 0.00 82 D 6.76 4.26 0.00 1.96 1.56 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 83 Y 7.25 5.02 0.00 2.94 2.86 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 0.00 0.00 0.00 84 V 7.80 4.19 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 0.80 0.00 0.00 0.97 0.00 0.00 85 K 8.56 4.05 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.19 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 2.12 2.17 0.00 87 L 8.67 3.87 0.00 1.76 1.68 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.04 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.89 3.92 0.00 1.78 1.84 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.05 3.92 0.00 2.07 2.01 0.00 3.00 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 91 L 8.23 4.08 0.00 1.76 1.75 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.08 4.11 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.94 0.00 93 L 8.01 4.10 0.00 1.92 1.77 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.54 4.32 0.00 2.44 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.84 2.76 0.00 95 L 7.98 3.81 0.00 1.87 1.85 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.73 3.52 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 0.96 0.00 0.00 0.98 0.00 0.00 97 I 7.75 3.64 2.01 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 1.47 0.67 1.10 0.00 0.00 98 V 7.64 3.13 1.73 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 0.66 0.00 0.00 -0.52 0.00 0.00 99 V 7.76 3.40 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 0.93 0.00 0.00 0.91 0.00 0.00 100 A 7.90 3.75 1.11 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 0.00 0.00 101 L 7.66 3.44 0.00 1.70 1.64 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.84 3.50 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 0.93 0.00 0.00 0.83 0.00 0.00 103 V 8.00 3.62 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 0.89 0.00 0.00 0.93 0.00 0.00 104 Y 8.03 4.44 0.00 3.18 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 0.00 105 V 7.62 3.55 2.03 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 0.49 0.00 0.00 0.68 0.00 0.00 106 I 7.90 3.79 1.94 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 1.37 0.80 0.95 0.00 0.00 107 Y 8.84 4.31 0.00 3.11 3.25 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 0.00 108 G 8.37 3.56 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 0.00 0.00 0.00 109 F 8.18 3.90 0.00 3.36 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 0.00 110 V 7.60 3.61 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 0.74 0.00 0.00 0.97 0.00 0.00 111 V 7.36 3.53 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 0.73 0.00 0.00 0.19 0.00 0.00 112 V 7.78 3.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.86 0.00 0.00 *113 W 8.17 4.14 0.00 2.60 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 0.00 0.00 0.00 114 G 7.46 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 3.97 2.20 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 0.85 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.