NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4284 8.3193 115.4035 58.1129 63.1022 171.1907 2 D 4.2500 7.9529 130.7684 53.6247 42.6691 176.1410 3 K 4.2892 9.0611 117.9216 56.0649 33.3442 176.8845 4 I 4.5653 7.2686 120.4931 59.2189 38.9264 175.5543 5 I 3.7711 8.2083 129.3532 61.5925 38.0634 175.0571 6 H 4.6224 8.9005 127.8590 55.7016 30.0128 174.2249 7 L 4.8638 8.4061 126.5478 53.5259 43.6216 176.2010 8 T 5.2495 8.9020 110.5105 57.8847 71.7872 174.6419 9 D 4.4525 8.9446 121.4790 57.8988 40.4496 178.9839 10 D 4.2105 7.8202 117.5856 56.5413 41.0059 177.9311 11 S 4.5916 8.0069 113.5830 58.9098 63.9484 175.8991 12 F 3.7977 7.6798 124.8620 61.5323 38.9607 176.0547 13 D 4.4220 8.4407 116.8092 58.1256 40.6486 178.4793 14 T 3.8538 7.7032 111.1758 65.1172 67.6030 175.7338 15 D 4.3475 8.0903 120.1241 56.9418 40.9011 177.4037 16 V 3.5922 7.4156 117.4460 64.6070 32.1505 177.0416 17 L 4.0703 7.4273 118.9282 57.5875 41.7951 177.3699 18 K 4.4967 7.8045 119.5384 54.1926 30.4679 174.8592 19 A 4.5322 7.4978 122.0172 50.7842 22.4152 176.3968 20 D 4.4320 8.5677 122.9801 54.9438 41.7445 177.3617 21 G 3.8988 8.6333 108.5438 44.8465 0.0000 172.4899 22 A 4.6346 8.0332 119.5985 51.5128 20.4712 176.6988 23 I 4.8784 8.5076 120.6949 59.5499 41.6851 173.4120 24 L 5.0244 9.3005 132.6902 53.8897 43.7825 175.0445 25 V 4.7433 8.8325 126.3598 61.1203 34.3052 173.4937 26 D 5.0674 9.1656 128.0986 52.7403 43.0625 174.8580 27 F 5.2476 9.1843 126.5145 56.1980 40.4171 175.2619 28 W 5.2895 8.9697 119.8607 55.4688 32.4175 173.2926 29 A 3.6847 7.8432 119.6838 50.1128 21.5101 176.9851 30 E 3.9891 8.2565 120.4639 59.0653 29.7438 178.2092 31 W 4.3269 7.5857 112.7277 57.5284 28.4889 176.5075 32 C 4.5246 7.5646 121.1404 54.8365 39.3055 173.9954 33 G 3.8201 8.8533 116.5092 48.3166 0.0000 172.3680 34 P 4.2527 0.0000 0.0000 65.2102 31.0261 179.3947 35 C 4.3384 8.1475 114.1740 59.7800 35.8193 175.6275 36 K 3.9393 7.9025 120.1282 59.0883 31.5641 179.1094 37 M 4.0605 7.6423 118.6673 57.8323 32.1447 177.8710 38 I 4.1079 7.4342 110.4632 61.3246 38.2777 177.6623 39 A 3.7839 7.4160 124.2077 54.8917 18.1700 177.9224 40 P 4.5621 0.0000 0.0000 65.3078 31.4357 178.6167 41 I 3.7191 7.5603 119.5985 64.2756 37.0951 178.0961 42 L 4.0384 8.1514 119.8882 57.3939 41.1430 179.2709 43 D 4.2757 7.7425 118.7706 57.5247 40.8100 178.5469 44 E 3.9961 7.8830 119.0329 59.4517 29.4135 179.6928 45 I 3.8068 7.8232 119.3515 64.4717 37.0227 178.0016 46 A 4.0401 8.1852 120.5831 55.4620 18.3834 178.9998 47 D 4.4030 8.0307 115.9224 57.5736 41.3365 178.3863 48 E 4.0251 8.7331 118.0033 58.7535 29.6206 177.4875 49 Y 4.4538 8.4887 114.9480 57.0203 38.8885 175.5206 50 Q 3.9906 7.4811 118.3084 57.9561 28.7815 177.6355 51 G 3.9720 10.4595 107.5542 45.3900 0.0000 173.7671 52 K 4.4474 7.4628 115.0975 56.8528 36.5521 174.8301 53 L 4.9464 7.9046 121.6924 53.9179 45.5425 175.1080 54 T 4.7083 8.5224 121.1218 61.7138 71.8078 173.2662 55 V 4.8866 8.2694 124.2595 61.1903 34.6916 173.9973 56 A 5.0677 9.0740 127.8559 50.5542 23.3792 174.7630 57 K 4.9597 8.7135 118.2047 54.4027 36.1111 175.2111 58 L 4.8981 8.7490 126.1120 53.1569 44.6644 174.8844 59 N 4.3068 8.6741 125.8343 52.3440 39.2219 175.5756 60 I 3.8485 8.2036 121.0028 63.8254 38.2198 177.3625 61 D 4.4998 8.1049 120.1553 57.3595 40.6793 177.4325 62 Q 4.2759 8.3386 115.7260 57.3396 29.5226 176.4403 63 N 5.0640 7.7503 115.7949 51.1225 39.4904 172.9537 64 P 4.6255 0.0000 0.0000 63.8227 32.4451 178.8806 65 G 3.6980 8.3696 108.6352 48.7704 0.0000 175.5983 66 T 3.9055 8.0311 116.5309 66.4859 69.1158 176.6688 67 A 3.9096 8.3176 122.6846 54.9449 18.2967 177.4192 68 P 4.1538 0.0000 0.0000 65.9878 31.1905 178.7467 69 K 3.8548 7.6755 115.0492 58.5314 31.8648 177.2301 70 Y 4.5424 7.3435 113.9071 56.5988 38.9123 175.3584 71 G 3.9248 7.8467 107.4514 46.4636 0.0000 174.4527 72 I 3.9899 7.7006 120.1061 60.3578 37.6157 177.0702 73 R 4.3635 8.4141 124.4248 53.9454 30.8378 173.8205 74 G 3.9731 8.9262 108.4824 45.8115 0.0000 170.6775 75 I 4.6594 7.9497 116.8689 57.7234 40.6893 173.3167 76 P 4.8653 0.0000 0.0000 62.9520 32.7204 175.3190 77 T 5.0266 8.5532 117.5464 61.9737 72.7154 172.4224 78 L 5.3508 9.1663 126.9152 53.0483 44.3831 175.2926 79 L 5.0300 8.9526 124.2880 52.8646 44.4647 175.2191 80 L 5.0051 9.1382 126.5544 53.7640 43.7098 174.8997 81 F 5.1621 9.1202 125.9669 56.1256 41.2462 175.2485 82 K 4.8007 9.0014 122.3361 55.2883 35.8362 176.2963 83 N 4.2849 10.0850 121.2389 54.4539 36.2841 175.0877 84 G 4.0644 8.8120 101.5998 46.4568 0.0000 173.5327 85 E 4.8430 8.3396 119.4524 53.5822 32.7864 175.0683 86 V 3.4459 8.4217 124.9279 63.0511 32.0879 175.1630 87 A 4.6810 8.8343 128.7687 52.9425 21.2033 176.3479 88 A 4.6477 7.3995 113.7736 51.6740 22.3964 175.5608 89 T 5.1510 8.5837 108.8953 59.8979 72.5620 173.2032 90 K 4.2190 8.7650 124.0057 54.6945 35.1769 174.7897 91 V 4.3973 8.5864 127.3884 62.4721 33.3956 175.8105 92 G 3.8279 9.1824 113.6502 44.4292 0.0000 172.6219 93 A 4.2840 7.9848 121.1409 51.9539 19.0394 176.3311 94 L 4.5922 7.8884 118.7162 53.9353 43.4343 175.2229 95 S 4.6663 8.8494 115.4343 56.6901 66.3387 174.8791 96 K 3.9828 8.4113 121.1125 59.8734 32.0336 178.6292 97 G 3.8721 8.2254 105.5163 48.1888 0.0000 175.3172 98 Q 4.0210 7.7680 118.7809 58.6377 28.7529 178.5758 99 L 4.0549 7.8346 121.1266 58.0597 42.1826 178.7641 100 K 3.9178 8.4975 120.0378 59.8709 31.9173 178.2748 101 C 4.3847 8.0893 117.6601 61.8785 31.5410 174.8462 102 F 4.4854 8.4281 122.6977 61.4833 39.1041 177.1402 103 L 3.6112 8.1833 118.6380 57.7969 41.2322 179.2789 104 D 4.5525 8.5178 117.3234 56.7496 40.7825 177.6310 105 C 4.4649 7.4806 114.1158 60.2244 28.8862 174.3450 106 N 4.7714 7.7596 115.6256 52.8073 39.4305 174.6286 107 L 4.2859 7.7269 124.6905 54.7017 42.1271 176.0952 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 S 8.32 4.43 0.00 3.94 3.91 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 2 D 7.95 4.25 0.00 2.81 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 3 K 9.06 4.29 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.43 7.81 4 I 7.27 4.57 1.81 0.00 0.00 0.76 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 0.53 0.83 0.00 0.00 5 I 8.21 3.77 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.87 0.00 0.00 6 H 8.90 4.62 0.00 3.17 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.41 4.86 0.00 1.73 1.63 0.79 0.50 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 8 T 8.90 5.25 4.45 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 1.28 0.00 0.00 9 D 8.94 4.45 0.00 2.73 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 10 D 7.82 4.21 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.59 0.00 4.20 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 12 F 7.68 3.80 0.00 3.12 3.16 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 13 D 8.44 4.42 0.00 2.92 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 14 T 7.70 3.85 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 1.29 0.00 0.00 15 D 8.09 4.35 0.00 2.46 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 16 V 7.42 3.59 0.72 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 -0.70 0.00 0.00 -0.13 0.00 0.00 17 L 7.43 4.07 0.00 1.94 1.74 1.17 1.17 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 18 K 7.80 4.50 0.00 1.89 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.51 7.81 19 A 7.50 4.53 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.57 4.43 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 0.00 0.00 0.00 22 A 8.03 4.63 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.51 4.88 1.83 0.00 0.00 0.70 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 1.45 0.94 0.00 0.00 24 L 9.30 5.02 0.00 1.75 1.50 1.12 0.63 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 25 V 8.83 4.74 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 0.60 0.00 0.00 0.88 0.00 0.00 26 D 9.17 5.07 0.00 2.76 2.57 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 27 F 9.18 5.25 0.00 3.29 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 28 W 8.97 5.29 0.00 3.37 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 29 A 7.84 3.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.99 0.00 1.83 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 2.37 2.46 0.00 31 W 7.59 4.33 0.00 3.53 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 32 C 7.56 4.52 0.00 1.70 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 33 G 8.85 3.82 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 0.00 0.00 0.00 34 P 0.00 4.25 0.00 2.18 2.13 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.15 4.34 0.00 3.18 3.28 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 0.00 0.00 0.00 0.00 36 K 7.90 3.94 0.00 1.77 1.84 0.00 1.90 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 37 M 7.64 4.06 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 38 I 7.43 4.11 1.84 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 1.58 0.59 0.93 0.00 0.00 39 A 7.42 3.78 1.13 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 40 P 0.00 4.56 0.00 2.24 2.28 0.00 3.93 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 2.03 1.87 0.00 41 I 7.56 3.72 2.04 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 1.63 0.99 0.90 0.00 0.00 42 L 8.15 4.04 0.00 1.77 1.64 0.82 0.89 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 43 D 7.74 4.28 0.00 2.86 2.68 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 44 E 7.88 4.00 0.00 2.12 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 0.00 2.33 2.55 0.00 45 I 7.82 3.81 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 1.36 0.33 0.75 0.00 0.00 46 A 8.19 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.03 4.40 0.00 2.84 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 48 E 8.73 4.03 0.00 2.14 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 2.34 2.38 0.00 49 Y 8.49 4.45 0.00 3.06 2.96 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 50 Q 7.48 3.99 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 51 G 10.46 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.46 4.45 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.42 1.51 7.81 53 L 7.90 4.95 0.00 1.62 1.71 0.87 0.72 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 54 T 8.52 4.71 4.21 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 1.16 0.00 0.00 55 V 8.27 4.89 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 0.94 0.00 0.00 0.90 0.00 0.00 56 A 9.07 5.07 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 57 K 8.71 4.96 0.00 1.69 1.84 0.00 1.36 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.07 1.14 7.81 58 L 8.75 4.90 0.00 1.35 0.96 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.67 4.31 0.00 2.34 2.48 0.00 0.00 6.94 7.82 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 60 I 8.20 3.85 1.94 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 1.39 0.70 1.10 0.00 0.00 61 D 8.10 4.50 0.00 2.75 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 62 Q 8.34 4.28 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 63 N 7.75 5.06 0.00 2.73 3.02 0.00 0.00 6.61 8.37 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 64 P 0.00 4.63 0.00 2.16 2.18 0.00 3.60 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 1.99 2.08 0.00 65 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 3.91 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 0.76 0.00 0.00 67 A 8.32 3.91 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 68 P 0.00 4.15 0.00 2.13 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 69 K 7.68 3.85 0.00 1.60 1.38 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.57 7.81 70 Y 7.34 4.54 0.00 2.86 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 71 G 7.85 3.92 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 0.00 0.00 0.00 72 I 7.70 3.99 1.73 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 0.71 0.00 0.00 73 R 8.41 4.36 0.00 1.73 1.82 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 74 G 8.93 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.95 4.66 2.04 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.99 0.00 0.00 76 P 0.00 4.87 0.00 2.16 2.25 0.00 3.82 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 2.11 1.84 0.00 77 T 8.55 5.03 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 1.12 0.00 0.00 78 L 9.17 5.35 0.00 1.57 1.66 0.89 0.42 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 79 L 8.95 5.03 0.00 1.87 1.37 0.66 0.31 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 80 L 9.14 5.01 0.00 1.78 1.65 0.92 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.12 5.16 0.00 3.09 2.95 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 82 K 9.00 4.80 0.00 1.65 1.67 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 83 N 10.09 4.28 0.00 2.86 2.90 0.00 0.00 7.11 7.65 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 84 G 8.81 4.06 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 0.00 0.00 0.00 85 E 8.34 4.84 0.00 2.10 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 0.00 2.24 2.32 0.00 86 V 8.42 3.45 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 0.62 0.00 0.00 0.38 0.00 0.00 87 A 8.83 4.68 1.22 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 88 A 7.40 4.65 1.35 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 0.00 0.00 0.00 89 T 8.58 5.15 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 1.16 0.00 0.00 90 K 8.76 4.22 0.00 0.79 1.12 0.00 1.39 0.00 0.00 1.37 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.79 0.78 7.81 91 V 8.59 4.40 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 0.82 0.00 0.00 0.88 0.00 0.00 92 G 9.18 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.98 4.28 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 94 L 7.89 4.59 0.00 1.77 1.64 0.90 0.51 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 95 S 8.85 4.67 0.00 4.05 4.06 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 96 K 8.41 3.98 0.00 1.85 1.85 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.53 7.81 97 G 8.23 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 0.00 0.00 0.00 0.00 98 Q 7.77 4.02 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 7.83 4.05 0.00 1.82 1.84 1.06 0.52 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 0.00 100 K 8.50 3.92 0.00 2.07 1.87 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.79 1.72 7.81 101 C 8.09 4.38 0.00 3.07 3.17 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 0.00 102 F 8.43 4.49 0.00 3.15 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 0.00 103 L 8.18 3.61 0.00 1.60 1.36 0.23 0.65 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 0.00 104 D 8.52 4.55 0.00 2.63 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 0.00 105 C 7.48 4.46 0.00 3.04 2.97 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 0.00 0.00 0.00 106 N 7.76 4.77 0.00 2.44 2.71 0.00 0.00 6.85 7.13 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 0.00 107 L 7.73 4.29 0.00 1.64 1.56 0.99 0.78 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