NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.3022 8.2649 123.5716 51.9765 19.9083 175.8279 13 E 4.5238 8.2524 118.7629 53.1531 32.9399 170.4747 14 V 4.0291 8.9761 122.6042 63.0243 33.4429 174.9608 15 I 4.3387 8.8230 129.6320 60.1282 38.4761 175.1026 16 S 4.6941 8.7084 124.2728 58.0721 63.6992 173.8586 17 V 4.2708 8.4443 125.4795 61.7008 32.3099 175.0246 18 H 5.1042 9.8443 124.7403 55.6012 29.7978 174.5159 19 S 4.7238 7.5360 114.0135 55.9863 66.9162 174.8302 20 L 4.1052 8.5182 122.4135 57.8004 41.3338 179.3428 21 E 3.9778 8.2383 118.8682 59.5178 29.6474 178.7690 22 Q 4.0234 8.4053 118.2026 58.5768 28.6939 178.4459 23 W 4.2010 8.4379 129.3650 60.9417 30.6894 177.9400 24 T 3.8473 8.3985 115.7192 67.0631 67.9454 176.4629 25 M 4.1721 8.1649 120.3415 58.5065 32.0000 178.9313 26 Q 3.8829 8.0748 118.1218 58.9361 28.7909 178.9273 27 I 3.4136 7.4330 121.1404 64.1745 37.1047 178.3905 28 E 3.9148 8.2665 118.7675 59.4508 29.5093 179.0648 29 E 3.9278 8.2134 119.3706 58.9736 29.5131 179.1731 30 A 3.9561 7.9736 120.8607 55.2254 18.5875 179.4336 31 N 4.2806 8.3892 115.3432 56.7170 38.3496 177.7990 32 T 3.8695 7.8067 115.9935 66.4605 68.7089 175.9197 33 A 4.2042 7.7242 118.8473 51.5629 18.8075 177.1209 34 K 3.8014 7.5937 115.5493 57.1502 30.4219 175.1289 35 K 4.6716 7.6898 116.0113 54.6204 35.1240 175.9320 36 L 4.1503 8.4345 123.7432 55.5993 43.4359 175.5309 37 V 4.5960 8.9266 125.9889 60.9804 34.2767 174.1127 38 V 4.3409 8.2566 128.0216 60.9650 33.8572 173.9963 39 I 4.8111 8.5137 129.2200 59.4937 39.8537 174.2726 40 D 4.3354 8.8468 128.3399 52.9203 42.1163 175.2737 41 F 4.6608 8.8507 127.1821 57.1088 40.0938 175.1264 42 T 4.9236 9.0738 118.0583 60.1946 71.7892 172.0101 43 A 4.7074 7.7272 123.8598 49.8861 22.0028 177.6163 44 S 4.0162 8.7164 116.1075 60.8820 63.2485 175.6320 45 W 4.3666 7.4580 115.8097 57.4730 28.8992 175.5503 46 C 4.0902 7.0232 121.2247 58.5665 31.2462 173.8421 47 G 3.6929 8.9020 114.5779 47.7286 0.0000 173.0186 48 P 4.3085 0.0000 0.0000 65.4834 30.8285 178.4847 49 C 4.1469 7.6322 114.4942 62.6671 27.7063 176.3421 50 R 3.9657 7.6486 119.1264 59.1717 29.7168 178.7045 51 I 3.8778 7.6846 118.3157 64.5817 37.4425 177.7080 52 M 4.3438 8.1826 117.9647 56.6722 31.9940 178.2794 53 A 4.1241 7.6792 121.6598 54.8870 18.5014 177.8509 54 P 4.2315 0.0000 0.0000 65.9715 31.3057 178.6904 55 V 3.5626 7.8029 117.5319 65.7430 31.5886 177.6712 56 F 4.1676 8.7502 120.5945 61.2841 39.1580 176.9822 57 A 3.8542 8.3112 120.5339 54.9989 18.2691 179.0754 58 D 4.1741 8.2669 116.7212 57.5590 41.4582 178.5429 59 L 4.0203 7.7551 119.1997 57.6289 41.3150 179.3447 60 A 2.5800 6.6737 119.7887 54.4687 18.2118 179.5622 61 K 3.9498 7.2505 116.2136 59.3653 32.1932 179.4480 62 K 4.0130 7.5320 116.9814 57.4190 33.6864 177.4078 63 F 4.8657 7.6882 117.4813 54.9329 39.0843 173.6797 64 P 4.4862 0.0000 0.0000 64.7503 31.9381 178.3936 65 N 4.4774 8.3085 115.3938 54.8878 38.8906 174.4587 66 A 4.9108 7.7618 118.9515 50.1195 21.8746 176.1238 67 V 4.2694 8.4668 120.1178 61.4376 33.5834 174.6557 68 F 5.0386 8.9690 126.7050 55.9839 40.9502 174.5488 69 L 5.3284 9.2842 124.4869 52.7474 44.9714 175.4179 70 K 4.8592 8.9921 123.5343 54.5897 35.0287 174.8590 71 V 4.4907 8.4090 127.0898 60.9730 34.6745 173.5640 72 D 5.0565 8.6119 127.9355 53.5885 41.6169 177.2594 73 V 3.7233 8.6727 120.6112 64.3329 31.5271 177.5971 74 D 4.5573 8.5749 119.7434 56.3260 41.2573 177.4429 75 E 4.1741 8.3465 119.0460 58.1037 30.6925 176.5609 76 L 4.7860 7.8672 118.1717 52.4141 41.9074 176.9070 77 K 3.9187 8.0390 122.1231 59.1284 32.5033 176.9430 78 P 4.4111 0.0000 0.0000 65.6370 30.6800 178.7738 79 I 3.3450 7.4540 117.8714 63.9708 37.0777 177.9640 80 A 3.7554 7.7785 121.2149 55.3010 18.2282 179.5878 81 E 3.8028 8.5483 117.3504 59.3920 29.2598 179.0627 82 Q 3.7291 7.7002 118.8195 58.7815 28.9584 178.0011 83 F 4.7231 7.1042 113.7466 55.9124 40.1954 175.9637 84 S 3.4899 7.5715 113.5163 59.4178 60.5410 173.7847 85 V 3.9396 7.6342 119.0236 61.8022 31.4645 174.8728 86 E 4.6018 8.6353 124.5684 55.3270 31.5775 175.5781 87 A 4.8605 7.8228 121.2876 50.3837 21.5306 175.5587 88 M 4.8123 8.1590 120.0132 52.5985 36.1635 173.5516 89 P 4.4621 0.0000 0.0000 62.9260 33.4042 174.8931 90 T 4.8938 8.0428 118.1310 61.8565 71.3789 172.9968 91 F 5.1854 9.5077 125.8082 55.7800 41.1920 174.3718 92 L 5.1895 8.9257 126.6849 53.2800 44.6292 174.7939 93 F 5.1127 9.2303 124.7889 55.9545 41.5414 174.3672 94 M 5.2647 9.1839 123.3515 53.7993 36.2661 173.6863 95 K 4.6593 8.8769 126.3303 55.1293 35.8140 175.9804 96 E 3.8511 10.0947 128.1761 57.4981 27.0241 175.7305 97 G 4.0486 8.5747 106.2125 45.1160 0.0000 173.2712 98 D 4.9436 7.7381 120.0494 52.0761 42.7483 175.9072 99 V 4.1538 8.4568 123.9769 63.0672 32.0364 175.4360 100 K 4.4071 8.9843 127.1890 57.7869 33.7110 175.6495 101 D 4.4808 7.7235 116.9877 53.8960 44.5905 174.3636 102 R 5.3365 8.5380 120.8223 54.8966 33.5357 173.9220 103 V 4.5692 9.4645 125.8899 61.1149 34.4732 174.0554 104 V 4.6189 8.9068 127.6889 62.6215 33.3547 175.2706 105 G 3.8345 9.3624 114.0034 44.7661 0.0000 173.4784 106 A 4.4301 8.0941 121.4977 51.1805 17.2257 179.8060 107 I 4.3097 7.2009 123.5655 58.8398 37.8051 176.3787 108 K 3.9590 8.2864 124.9049 59.4019 32.1986 178.7590 109 E 3.9863 8.0935 118.3512 59.2976 29.4620 178.8950 110 E 3.9307 8.0852 118.9571 59.0127 29.8560 178.3482 111 L 3.9853 7.8980 120.4095 58.5244 42.1986 179.0379 112 T 3.8904 7.9139 115.3691 66.6667 68.4109 176.4600 113 A 3.9881 8.0457 122.5423 55.2218 18.4302 179.9012 114 K 3.7726 8.0698 116.9928 59.1038 32.0374 179.8896 115 V 3.8092 8.0256 118.9463 65.9892 30.6095 178.2981 116 G 3.6012 7.8295 105.3558 47.6258 0.0000 175.4593 117 L 3.9281 7.5890 121.7403 58.1325 42.2469 178.2333 118 H 4.5247 7.8718 113.7925 57.3299 29.0879 176.8546 119 A 4.2586 7.8669 121.0701 52.6727 18.7448 177.3837 120 A 4.2379 6.7717 116.6199 51.1080 19.2524 177.0892 121 A 4.1090 8.4236 122.5871 52.6907 18.9596 178.0334 122 Q 4.2646 8.5798 120.0913 56.0161 29.1853 175.6653 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 12 A 8.26 4.30 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 13 E 8.25 4.52 0.00 1.99 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 2.16 2.29 0.00 14 V 8.98 4.03 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 1.10 0.00 0.00 0.92 0.00 0.00 15 I 8.82 4.34 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.92 0.00 0.00 16 S 8.71 4.69 0.00 3.77 3.66 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 17 V 8.44 4.27 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 0.99 0.00 0.00 0.99 0.00 0.00 18 H 9.84 5.10 0.00 3.25 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.54 4.72 0.00 4.04 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 20 L 8.52 4.11 0.00 1.76 1.83 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.24 3.98 0.00 2.07 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 2.41 2.44 0.00 22 Q 8.41 4.02 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 23 W 8.44 4.20 0.00 3.48 3.32 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 24 T 8.40 3.85 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 1.25 0.00 0.00 25 M 8.16 4.17 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 26 Q 8.07 3.88 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 27 I 7.43 3.41 1.44 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 -0.36 0.76 0.00 0.00 28 E 8.27 3.91 0.00 2.15 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 0.00 2.54 2.32 0.00 29 E 8.21 3.93 0.00 2.08 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 0.00 2.30 2.37 0.00 30 A 7.97 3.96 1.26 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 0.00 0.00 31 N 8.39 4.28 0.00 2.88 2.86 0.00 0.00 7.06 7.43 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 32 T 7.81 3.87 4.36 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 1.20 0.00 0.00 33 A 7.72 4.20 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 34 K 7.59 3.80 0.00 1.93 2.02 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 35 K 7.69 4.67 0.00 1.86 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.32 7.81 36 L 8.43 4.15 0.00 1.79 1.54 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.93 4.60 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 0.75 0.00 0.00 0.84 0.00 0.00 38 V 8.26 4.34 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 0.00 0.00 0.37 0.00 0.00 0.23 0.00 0.00 39 I 8.51 4.81 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.27 0.00 0.00 40 D 8.85 4.34 0.00 1.58 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 0.00 0.00 0.00 41 F 8.85 4.66 0.00 2.91 2.83 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 42 T 9.07 4.92 4.00 0.00 0.00 0.00 0.00 0.00 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 43 A 7.73 4.71 0.22 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 44 S 8.72 4.02 0.00 4.01 4.02 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 45 W 7.46 4.37 0.00 3.55 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 46 C 7.02 4.09 0.00 1.85 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 48 P 0.00 4.31 0.00 2.14 2.15 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 49 C 7.63 4.15 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.65 3.97 0.00 1.98 1.99 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 51 I 7.68 3.88 2.07 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 1.83 0.76 0.95 0.00 0.00 52 M 8.18 4.34 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.97 0.00 53 A 7.68 4.12 1.43 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 0.00 0.00 0.00 54 P 0.00 4.23 0.00 2.29 2.34 0.00 3.88 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 2.22 2.05 0.00 55 V 7.80 3.56 2.27 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 1.03 0.00 0.00 0.96 0.00 0.00 56 F 8.75 4.17 0.00 3.34 3.29 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 57 A 8.31 3.85 1.38 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 0.00 0.00 58 D 8.27 4.17 0.00 2.73 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 59 L 7.76 4.02 0.00 1.66 1.67 0.97 1.25 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 60 A 6.67 2.58 0.68 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 61 K 7.25 3.95 0.00 1.71 1.77 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 62 K 7.53 4.01 0.00 1.78 1.33 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.49 7.81 63 F 7.69 4.87 0.00 3.43 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 64 P 0.00 4.49 0.00 2.18 2.16 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 65 N 8.31 4.48 0.00 2.84 2.98 0.00 0.00 6.76 7.35 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 66 A 7.76 4.91 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 67 V 8.47 4.27 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 1.01 0.00 0.00 0.91 0.00 0.00 68 F 8.97 5.04 0.00 2.83 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 69 L 9.28 5.33 0.00 1.52 1.56 0.69 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.99 4.86 0.00 1.86 1.63 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.21 7.81 71 V 8.41 4.49 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 0.83 0.00 0.00 0.86 0.00 0.00 72 D 8.61 5.06 0.00 2.79 2.54 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 73 V 8.67 3.72 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 0.81 0.00 0.00 0.98 0.00 0.00 74 D 8.57 4.56 0.00 2.92 2.80 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 75 E 8.35 4.17 0.00 1.96 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 0.00 2.32 2.36 0.00 76 L 7.87 4.79 0.00 1.66 1.46 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.04 3.92 0.00 1.77 2.00 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.54 7.81 78 P 0.00 4.41 0.00 2.04 2.02 0.00 3.46 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 2.06 2.13 0.00 79 I 7.45 3.34 1.67 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 -0.03 0.00 0.00 80 A 7.78 3.76 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 81 E 8.55 3.80 0.00 2.05 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 2.27 2.31 0.00 82 Q 7.70 3.73 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.07 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 83 F 7.10 4.72 0.00 2.77 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 84 S 7.57 3.49 0.00 3.98 3.86 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 85 V 7.63 3.94 1.62 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 0.57 0.00 0.00 0.11 0.00 0.00 86 E 8.64 4.60 0.00 1.92 1.90 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 2.15 2.19 0.00 87 A 7.82 4.86 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 88 M 8.16 4.81 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 89 P 0.00 4.46 0.00 1.25 1.85 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 90 T 8.04 4.89 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 1.18 0.00 0.00 91 F 9.51 5.19 0.00 3.02 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 92 L 8.93 5.19 0.00 1.85 1.53 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.23 5.11 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 M 9.18 5.26 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 95 K 8.88 4.66 0.00 1.81 1.58 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.39 7.81 96 E 10.09 3.85 0.00 2.12 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 2.22 2.28 0.00 97 G 8.57 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 0.00 0.00 0.00 98 D 7.74 4.94 0.00 2.76 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 99 V 8.46 4.15 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 0.83 0.00 0.00 1.06 0.00 0.00 100 K 8.98 4.41 0.00 1.51 1.63 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.48 7.81 101 D 7.72 4.48 0.00 2.25 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 0.00 0.00 0.00 102 R 8.54 5.34 0.00 1.88 1.78 0.00 3.25 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 103 V 9.46 4.57 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 1.09 0.00 0.00 1.15 0.00 0.00 104 V 8.91 4.62 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 0.87 0.00 0.00 0.96 0.00 0.00 105 G 9.36 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 0.00 106 A 8.09 4.43 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 0.00 107 I 7.20 4.31 1.93 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 1.69 0.68 0.94 0.00 0.00 108 K 8.29 3.96 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.56 7.81 109 E 8.09 3.99 0.00 2.06 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 0.00 2.41 2.43 0.00 110 E 8.09 3.93 0.00 2.05 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 2.39 2.36 0.00 111 L 7.90 3.99 0.00 1.60 1.66 0.75 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.91 3.89 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 113 A 8.05 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 0.00 114 K 8.07 3.77 0.00 1.71 1.13 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.47 7.81 115 V 8.03 3.81 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 0.47 0.00 0.00 1.22 0.00 0.00 116 G 7.83 3.60 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 0.00 0.00 0.00 117 L 7.59 3.93 0.00 1.60 1.60 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.87 4.52 0.00 3.25 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.87 4.26 1.26 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 0.00 0.00 120 A 6.77 4.24 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 0.00 121 A 8.42 4.11 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 0.00 122 Q 8.58 4.26 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00