NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.3078 8.3027 118.7914 55.7171 31.1541 176.1438 15 L 3.7823 8.1876 119.6237 57.7381 41.8804 177.2480 16 Q 3.9340 8.7401 119.0749 58.9672 29.1041 177.6887 17 N 4.3255 8.0097 117.0266 56.0442 38.5847 177.6384 18 R 3.5594 7.6173 119.3289 59.1931 30.1572 179.1347 19 L 3.7578 7.8841 118.5847 57.4409 41.2860 179.4444 20 A 3.9740 7.6560 120.5348 55.0179 18.1190 179.2962 21 Q 4.0774 7.7454 115.9576 59.2306 28.8909 177.8186 22 Y 4.5017 7.6086 118.7881 61.4485 37.8044 178.6181 23 E 4.1182 8.2347 117.8402 58.9355 29.5396 178.7552 24 T 4.6260 7.3240 105.9130 60.5929 69.6475 173.8505 25 S 4.9063 7.5699 116.2069 57.2950 67.1708 173.5446 26 L 4.6775 8.4149 124.5718 54.2914 45.0352 174.5079 *28 V 4.5607 8.0538 116.1059 63.0442 33.5211 175.0949 *30 S 4.6799 8.2266 115.0266 58.7574 63.4163 171.9091 31 H 4.6981 8.9671 123.2645 55.6289 33.3829 172.6545 32 N 4.8117 8.8281 123.6110 52.3676 40.7994 173.2593 33 G 3.6407 8.7401 107.4208 43.9598 0.0000 173.0166 34 D 4.5339 8.4150 118.4967 54.2285 41.3690 176.9562 35 V 3.9219 8.0911 115.9965 60.3772 32.3874 174.5664 36 P 4.5497 0.0000 0.0000 62.2372 32.4257 175.2685 37 V 4.3393 7.9764 118.0493 61.1526 33.2807 175.0145 38 I 4.5360 7.9770 126.0191 59.4380 40.2417 174.8453 39 T 4.0372 8.7916 122.1237 65.4896 68.5490 174.4375 40 G 3.8879 9.0549 113.2830 45.6311 0.0000 172.7609 41 F 4.8561 8.1014 117.3164 55.3493 42.4932 174.5382 42 N 4.7326 9.3259 120.8525 52.8989 39.6553 174.6777 43 V 5.0082 8.2360 122.3737 60.0711 34.9636 174.5008 *45 R 4.3097 8.2900 122.4973 56.3206 30.7254 174.8129 46 V 4.6597 8.4323 117.0255 60.3118 35.7516 175.1592 47 T 4.7679 8.3680 108.0748 61.2633 71.3442 173.9728 48 T 4.4083 7.0903 114.8748 61.3299 67.5118 175.6110 *50 L 4.2591 8.6598 118.3226 55.0046 43.8550 178.2812 51 D 4.6620 8.1053 118.0524 57.0562 40.6363 178.6485 52 A 4.0764 8.1711 121.3342 55.2014 18.3485 179.2724 53 L 4.2110 7.2459 113.3400 55.9616 41.6103 178.1770 54 K 4.3777 7.5899 118.9838 56.1296 33.4761 176.3687 55 V 4.3321 7.9554 124.4751 61.8451 30.0081 176.2087 *58 P 4.2889 0.0000 0.0000 62.3277 32.0933 174.1122 59 A 5.3840 8.7520 123.8835 50.2151 22.5685 175.1507 60 V 4.3257 9.1807 119.6248 61.0443 34.3735 174.2484 61 A 4.7604 8.6142 130.2834 50.8850 20.7992 175.5254 62 V 4.2513 8.4117 122.9800 61.4558 33.6506 174.3184 63 L 5.0098 8.6860 127.6932 53.1656 44.7019 176.0434 64 G 4.2528 7.8608 110.6065 43.6204 0.0000 172.5380 65 D 4.5730 8.9169 118.3471 57.5359 40.8231 178.3007 66 D 4.6478 8.1029 115.2701 54.2698 39.8466 176.2224 67 A 4.6801 8.2580 124.0549 51.9315 19.9088 178.5466 68 Q 3.9716 7.7757 121.0313 61.5030 28.9422 178.4761 69 D 4.3664 7.9812 118.9381 57.1857 40.9449 178.3974 70 L 3.6902 7.7659 120.2632 57.8189 42.1186 178.6335 71 A 3.9495 8.2446 121.2267 55.2034 18.3093 178.8995 72 Y 3.8807 7.9575 118.0022 60.7509 38.9077 178.4915 73 V 3.5379 7.7890 119.0400 66.1960 31.4398 177.8953 74 F 4.6720 7.9098 116.1613 60.7285 38.8247 177.5322 75 G 4.1400 8.4808 105.1921 45.7211 0.0000 174.7480 76 A 4.5315 8.0215 120.7959 51.4148 21.9770 176.4459 77 R 4.6778 8.1758 116.3271 54.0272 31.2132 174.6566 78 P 4.2866 0.0000 0.0000 66.1228 31.5465 178.7978 79 L 4.1391 7.8740 116.0766 56.2102 41.6431 177.4460 80 A 4.3076 7.9196 120.7631 53.3178 19.1603 179.0777 81 V 3.6789 7.6201 115.5505 66.3589 31.6537 177.3620 82 G 4.1315 9.5271 105.4386 44.9644 0.0000 173.2189 83 V 4.4739 6.9931 117.1216 59.5828 34.4943 173.8253 84 N 4.4795 8.6899 121.0359 53.9040 40.1136 173.2953 85 I 4.8128 8.1982 125.7561 59.4694 39.8131 174.8305 86 I 4.4328 8.2432 127.1713 59.3558 39.7283 175.1102 87 R 4.3936 8.5760 128.1087 55.8577 31.1111 175.2246 88 V 4.9539 8.6293 120.3381 59.8964 33.8165 175.3244 89 V 4.5350 8.2706 116.3988 59.8691 36.5804 175.2984 90 D 4.2814 8.6870 117.1909 55.5216 38.0123 174.2860 91 V 3.7737 7.8080 119.5231 61.3820 32.1026 173.6945 92 P 4.3072 0.0000 0.0000 64.3626 31.4129 176.7283 93 G 3.9301 8.9093 111.6289 44.8995 0.0000 173.2070 94 Q 4.0049 7.8998 121.5003 56.4742 29.5247 176.4249 95 Q 4.5402 8.7227 123.5337 52.4685 29.3121 172.1829 96 P 4.6556 0.0000 0.0000 62.0954 32.3486 176.4191 97 S 4.5158 8.8247 116.3902 57.1501 63.6652 175.1867 98 A 4.0062 8.5939 131.2753 54.9843 18.1360 179.1461 99 L 3.8572 7.8029 118.4472 58.3470 42.2719 179.1457 100 V 3.5939 7.8369 118.1058 66.1936 31.2622 177.4981 101 D 4.3693 8.2548 117.4680 57.4411 40.9420 178.5644 102 A 4.1524 8.0784 121.0607 55.2972 18.5147 179.5190 103 E 4.0447 8.5195 117.2788 59.0100 29.3589 178.5699 104 L 4.5599 8.1417 117.7561 54.5012 41.7226 178.5377 105 G 3.6789 7.8419 111.0051 48.7289 0.0000 175.0818 106 A 4.1734 7.9003 119.9751 53.0571 18.8535 176.8815 107 L 4.4863 7.7204 117.0699 53.1077 42.8931 176.0807 108 H 4.3490 8.6804 123.5117 55.7999 30.3409 174.5085 109 E 4.3163 8.8938 127.0903 56.5108 30.0671 176.3168 110 V 4.3292 8.8495 124.6955 61.2317 34.7738 175.8406 111 S 4.4425 8.1392 121.7381 57.3672 64.8736 173.5508 *113 V 3.9440 8.4303 115.7928 63.2346 33.2383 178.5250 114 R 3.8823 7.5660 118.4256 59.2286 29.8588 178.5612 115 V 3.3808 7.5820 117.9677 66.0556 31.3973 178.0306 116 L 4.0514 7.7585 118.0894 57.7079 41.4939 178.9651 117 N 4.3186 8.3606 116.5533 56.5552 38.5463 176.9684 118 D 4.4387 8.2136 119.9511 57.7197 41.0276 179.1798 119 I 3.8059 7.9172 119.8529 64.2438 37.0998 178.4613 120 A 4.0296 8.3852 121.9691 55.2775 18.1170 179.4322 121 D 4.3338 8.6436 117.8836 57.5430 40.9252 178.6867 122 E 3.9879 8.4743 119.7248 58.9713 29.5268 178.6018 123 Q 4.0207 7.9118 119.5447 58.8938 29.0746 177.9702 124 L 4.0127 7.7467 119.8680 57.5371 41.3824 179.5922 125 V 3.5717 7.3278 117.4644 66.0612 31.6071 177.9731 126 K 4.0984 7.9183 116.5799 59.4314 31.9606 179.0099 127 A 4.1282 8.1675 120.3803 54.3991 18.3637 177.4127 128 N 4.5626 7.9105 119.7763 54.0208 39.2258 174.4611 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 14 E 8.30 4.31 0.00 2.15 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 0.00 2.38 2.36 0.00 15 L 8.19 3.78 0.00 1.85 1.69 0.95 0.60 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 16 Q 8.74 3.93 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 17 N 8.01 4.33 0.00 2.84 2.80 0.00 0.00 7.14 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 18 R 7.62 3.56 0.00 1.85 1.49 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 19 L 7.88 3.76 0.00 1.73 1.71 0.96 1.06 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 20 A 7.66 3.97 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 21 Q 7.75 4.08 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 22 Y 7.61 4.50 0.00 3.19 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 23 E 8.23 4.12 0.00 2.19 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 0.00 2.37 2.59 0.00 24 T 7.32 4.63 4.25 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 1.21 0.00 0.00 25 S 7.57 4.91 0.00 3.90 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 26 L 8.41 4.68 0.00 1.68 1.38 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *28 V 8.05 4.56 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 1.36 0.00 0.00 0.73 0.00 0.00 *30 S 8.23 4.68 0.00 3.98 3.80 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 0.00 0.00 0.00 0.00 31 H 8.97 4.70 0.00 3.05 3.12 0.00 5.96 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 32 N 8.83 4.81 0.00 2.54 2.63 0.00 0.00 7.19 8.48 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 33 G 8.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.53 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.09 3.92 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 0.75 0.00 0.00 0.95 0.00 0.00 36 P 0.00 4.55 0.00 2.12 1.99 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 37 V 7.98 4.34 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 0.86 0.00 0.00 0.94 0.00 0.00 38 I 7.98 4.54 1.90 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 1.33 0.84 0.80 0.00 0.00 39 T 8.79 4.04 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 1.25 0.00 0.00 40 G 9.05 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 41 F 8.10 4.86 0.00 3.04 2.98 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 0.00 0.00 0.00 42 N 9.33 4.73 0.00 2.65 2.77 0.00 0.00 6.34 7.45 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 43 V 8.24 5.01 2.11 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 1.06 0.00 0.00 1.02 0.00 0.00 *45 R 8.29 4.31 0.00 1.86 1.88 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 46 V 8.43 4.66 2.11 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 0.78 0.00 0.00 1.00 0.00 0.00 47 T 8.37 4.77 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 1.22 0.00 0.00 48 T 7.09 4.41 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 *50 L 8.66 4.26 0.00 1.78 1.75 0.94 1.19 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 51 D 8.11 4.66 0.00 2.91 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 52 A 8.17 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.25 4.21 0.00 1.80 1.76 0.95 0.94 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 54 K 7.59 4.38 0.00 2.06 1.87 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.43 7.81 55 V 7.96 4.33 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 0.88 0.00 0.00 1.01 0.00 0.00 *58 P 0.00 4.29 0.00 1.01 1.79 0.00 3.56 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 1.67 1.60 0.00 59 A 8.75 5.38 1.25 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 0.00 0.00 60 V 9.18 4.33 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 0.87 0.00 0.00 0.65 0.00 0.00 61 A 8.61 4.76 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 62 V 8.41 4.25 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 1.06 0.00 0.00 0.94 0.00 0.00 63 L 8.69 5.01 0.00 1.72 1.57 1.06 0.92 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 64 G 7.86 4.25 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 0.00 0.00 0.00 65 D 8.92 4.57 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.65 0.00 2.77 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 67 A 8.26 4.68 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 68 Q 7.78 3.97 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 69 D 7.98 4.37 0.00 2.69 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 70 L 7.77 3.69 0.00 1.72 1.58 0.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.24 3.95 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 72 Y 7.96 3.88 0.00 3.42 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 73 V 7.79 3.54 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 0.88 0.00 0.00 1.07 0.00 0.00 74 F 7.91 4.67 0.00 3.19 2.91 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 75 G 8.48 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 0.00 0.00 0.00 0.00 76 A 8.02 4.53 0.62 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 77 R 8.18 4.68 0.00 1.76 1.86 0.00 3.35 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 78 P 0.00 4.29 0.00 2.21 2.33 0.00 3.75 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 2.08 2.00 0.00 79 L 7.87 4.14 0.00 1.67 1.78 0.93 0.77 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 80 A 7.92 4.31 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 81 V 7.62 3.68 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 0.92 0.00 0.00 1.21 0.00 0.00 82 G 9.53 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 83 V 6.99 4.47 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 0.68 0.00 0.00 0.92 0.00 0.00 84 N 8.69 4.48 0.00 2.82 2.71 0.00 0.00 6.93 8.08 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 85 I 8.20 4.81 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.17 0.54 0.00 0.00 86 I 8.24 4.43 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.88 0.00 0.00 87 R 8.58 4.39 0.00 1.88 1.95 0.00 3.15 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 88 V 8.63 4.95 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 0.58 0.00 0.00 0.88 0.00 0.00 89 V 8.27 4.53 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 0.96 0.00 0.00 1.01 0.00 0.00 90 D 8.69 4.28 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.81 3.77 2.11 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 0.94 0.00 0.00 0.82 0.00 0.00 92 P 0.00 4.31 0.00 2.05 1.98 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 93 G 8.91 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 0.00 0.00 0.00 94 Q 7.90 4.00 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 95 Q 8.72 4.54 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 96 P 0.00 4.66 0.00 2.04 2.11 0.00 3.73 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 97 S 8.82 4.52 0.00 3.92 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 98 A 8.59 4.01 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 99 L 7.80 3.86 0.00 1.78 1.68 0.94 0.90 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 0.00 100 V 7.84 3.59 2.11 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 1.12 0.00 0.00 0.95 0.00 0.00 101 D 8.25 4.37 0.00 2.83 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 0.00 102 A 8.08 4.15 1.42 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 0.00 0.00 0.00 103 E 8.52 4.04 0.00 2.19 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 0.00 2.55 2.55 0.00 104 L 8.14 4.56 0.00 1.69 1.69 0.99 1.12 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 0.00 105 G 7.84 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 0.00 0.00 0.00 106 A 7.90 4.17 1.27 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 0.00 0.00 107 L 7.72 4.49 0.00 1.77 1.61 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.68 4.35 0.00 3.10 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.89 4.32 0.00 1.93 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 2.33 2.33 0.00 110 V 8.85 4.33 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 0.98 0.00 0.00 0.88 0.00 0.00 111 S 8.14 4.44 0.00 4.03 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 *113 V 8.43 3.94 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 0.97 0.00 0.00 0.90 0.00 0.00 114 R 7.57 3.88 0.00 2.09 2.10 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 115 V 7.58 3.38 1.78 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 0.43 0.00 0.00 0.52 0.00 0.00 116 L 7.76 4.05 0.00 1.83 1.72 0.87 0.77 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 0.00 117 N 8.36 4.32 0.00 3.03 2.90 0.00 0.00 7.01 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 0.00 118 D 8.21 4.44 0.00 3.15 2.89 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 0.00 119 I 7.92 3.81 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.95 0.00 0.00 120 A 8.39 4.03 1.40 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 0.00 121 D 8.64 4.33 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.47 3.99 0.00 2.16 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 2.32 2.37 0.00 123 Q 7.91 4.02 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 124 L 7.75 4.01 0.00 1.90 1.71 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.33 3.57 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 0.83 0.00 0.00 0.98 0.00 0.00 126 K 7.92 4.10 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.72 7.81 127 A 8.17 4.13 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 0.00 128 N 7.91 4.56 0.00 2.92 2.78 0.00 0.00 7.03 7.42 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 * Residues marked with a * may have inaccurate shift predictions.