NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9908 8.2127 108.0310 45.2046 0.0000 173.1827 1 L 4.1992 8.1167 122.5232 55.8625 42.3962 174.5835 2 Q 4.7872 9.8950 124.9045 54.4709 34.2563 173.4567 3 R 5.2276 8.5387 118.4646 54.9756 33.5815 174.9186 4 T 4.7405 8.8215 115.6403 60.5163 71.9752 171.7854 5 L 5.1244 8.5543 127.2793 53.3710 44.4274 175.0884 6 V 5.5051 9.0526 126.0699 60.3374 34.5286 173.8759 7 L 4.9642 8.4582 126.8177 53.0229 44.5268 175.2943 8 I 4.6067 9.0606 126.1582 60.1870 38.3748 175.9661 9 K 4.4992 9.2365 127.6094 55.1632 33.3037 176.8125 10 P 4.5899 0.0000 0.0000 65.1857 30.9727 178.7191 11 D 4.5936 8.4476 117.4131 56.4174 39.1777 178.4113 12 A 4.0147 8.3056 122.3821 55.0166 18.2978 179.6300 13 F 3.9367 8.2350 116.0187 60.4434 38.9027 177.4857 14 E 4.0723 8.3373 118.2796 59.0305 29.5727 178.1658 15 R 4.3900 8.0533 115.0621 54.9095 30.7397 176.3575 16 S 3.7235 7.6336 113.2700 60.1316 61.1796 173.3563 17 L 4.6421 8.2971 116.2603 54.5351 42.2005 178.2208 18 V 3.3150 7.4364 120.3943 66.1638 31.4786 177.8945 19 A 4.0023 7.8117 120.0398 54.8560 17.8622 178.8454 20 E 3.8185 8.1488 117.5020 59.6842 29.6533 179.1319 21 I 3.7874 7.5897 119.1600 64.6261 37.1478 178.3839 22 M 4.3722 8.2298 119.7950 58.1807 31.7602 178.9065 23 G 3.6927 8.7459 106.4893 47.9349 0.0000 175.9833 24 R 3.9745 7.4883 118.8874 59.1100 30.3195 178.9045 25 I 3.8069 7.3476 118.2606 64.1277 37.0161 177.9455 26 E 3.9477 8.4502 120.5471 59.4976 29.2852 179.2085 27 K 4.1865 8.2961 117.1179 58.6805 32.0813 178.1966 28 K 4.2105 7.4496 117.6928 55.8196 32.1137 175.7624 29 N 4.2864 8.2075 114.8978 54.8590 37.6240 173.6832 30 F 4.7962 7.9492 113.6272 55.8319 40.5711 175.2113 31 K 4.8455 8.6885 123.3709 54.5860 34.8226 175.7237 32 I 3.9636 8.5359 125.0410 61.5877 36.9394 175.8020 33 V 4.2640 8.8233 127.0831 63.5221 33.5588 175.8180 34 S 4.6506 7.4369 114.5070 57.2934 67.4258 172.9203 35 M 5.3945 8.4749 121.6528 54.4802 35.3405 173.9240 36 K 4.6213 9.4889 124.7789 54.5203 36.4097 174.6897 37 F 5.2604 8.6515 126.2981 56.2640 41.3850 174.4894 38 W 4.4687 8.4618 126.4454 54.6070 31.0987 176.9138 39 S 3.6519 8.4541 120.3657 60.4182 62.8507 173.9518 40 K 4.3178 7.6339 121.2771 54.1242 33.6509 175.1647 41 A 3.8590 8.4246 129.8895 51.3356 18.8963 175.1484 42 P 4.1616 0.0000 0.0000 62.8538 32.0699 177.3409 43 R 3.7822 8.7405 123.0547 59.3914 29.8056 177.6924 44 N 4.1569 8.1017 116.3458 56.9171 38.7391 176.4247 45 L 3.4561 7.2703 119.9110 57.7895 41.5366 179.6827 46 I 3.7355 7.4204 119.0498 64.3388 36.8332 178.2232 47 E 4.1856 7.9797 118.6648 59.4523 29.5196 179.0575 48 Q 4.0732 8.1265 118.1037 59.2955 28.6040 178.0713 49 H 3.9189 7.8141 117.9603 59.1250 30.1319 176.2900 50 Y 5.0305 7.9836 117.6512 57.3097 39.1805 178.1513 51 K 3.9558 8.3017 122.5624 60.5465 32.2793 177.4844 52 E 3.8556 8.3481 117.9944 59.4517 29.5415 177.7065 53 H 4.6595 8.6185 113.7403 55.7134 28.8532 177.2660 54 S 2.0000 7.8645 116.4518 59.9030 62.7295 175.1241 55 E 4.1591 7.5861 118.7107 57.1441 30.4206 176.3287 56 Q 4.0825 7.2350 118.0570 55.5939 29.2932 177.8122 57 S 4.1638 8.3877 114.4501 61.4863 63.4349 175.1972 58 Y 4.3346 7.5694 117.7025 58.0201 38.6755 176.8077 59 F 3.9384 7.4816 122.8761 61.8025 39.1911 176.7619 60 N 4.2701 8.1232 115.4106 56.2950 38.4387 177.0537 61 D 4.3615 7.9986 119.9117 56.9194 41.0147 178.1602 62 L 3.9448 8.1880 121.3013 58.5784 41.8369 178.9941 63 C 4.0258 7.3578 114.6584 62.7350 28.2949 175.4657 64 D 4.4749 7.9488 120.4582 57.4000 40.4652 178.6358 65 F 4.2639 8.3844 121.0793 61.6047 39.2361 176.5707 66 M 3.9962 7.8677 115.5130 56.3670 31.7526 176.9841 67 V 4.2831 7.1725 116.9844 60.9729 32.5432 176.2632 68 S 4.3540 7.8695 114.5449 58.9237 63.3552 173.5137 69 G 3.8641 6.9362 108.2796 44.5165 0.0000 170.7365 70 P 4.4656 0.0000 0.0000 62.0167 32.7945 175.7352 71 I 4.9956 8.2704 120.5127 60.0765 42.0833 174.3560 72 I 5.2080 8.7752 126.2917 59.6065 40.1516 174.4913 73 S 5.0382 9.0229 122.1022 56.7129 65.2501 173.2564 74 I 4.9488 9.0495 124.5006 59.3707 41.3665 174.3683 75 V 4.5343 8.2981 126.6903 61.7110 33.0231 174.0081 76 Y 5.2352 8.7947 126.2736 56.3996 40.6167 174.3728 77 E 5.2654 9.6089 124.1323 53.9175 32.9829 175.1594 78 G 4.4978 8.6025 113.8450 46.0603 0.0000 172.0348 79 T 4.2818 8.6645 116.8049 64.7068 69.0748 173.7559 80 D 4.3889 8.9553 124.0365 54.7516 40.8435 175.3757 81 A 3.6965 8.4809 119.8038 54.9599 18.2421 179.8040 82 I 3.5463 8.0166 117.8564 64.7192 37.2566 178.6779 83 S 4.0906 7.9384 113.1747 61.3419 62.3189 176.1899 84 K 4.0320 8.2314 121.3081 59.5965 31.8535 179.5138 85 I 3.5515 7.9028 120.4983 64.0492 36.9187 178.3776 86 R 3.8925 7.9107 119.0661 59.4558 29.6923 179.0053 87 R 3.8475 7.7302 117.0182 59.2130 30.4248 177.9193 88 L 4.0613 8.0125 120.2217 58.1503 42.1087 178.4062 89 Q 3.8916 8.5442 119.9647 60.2882 29.1949 176.5753 90 G 3.7732 8.4980 108.7645 46.1623 0.0000 171.5363 91 N 4.9358 8.0707 118.5008 51.5057 40.1730 175.1786 92 I 4.1712 8.2475 110.0076 62.0361 37.6297 176.3902 93 L 4.3226 8.1521 120.7611 55.3803 42.5886 176.4645 94 T 4.4062 7.7416 115.9473 60.7271 68.5336 172.1080 95 P 4.6303 0.0000 0.0000 63.6306 31.9893 176.5712 96 G 4.0198 10.2640 110.9593 45.6332 0.0000 174.6184 97 T 4.4888 7.4416 109.7345 60.2211 71.9160 175.8010 98 I 3.7135 8.6663 122.0999 64.7133 37.0428 179.1679 99 R 4.1111 8.2164 119.0135 58.9002 29.6500 179.2850 100 G 4.1383 7.7894 106.4660 47.1489 0.0000 174.8056 101 D 4.6913 8.0878 119.3507 54.9243 41.4694 177.2710 102 L 4.6727 7.8111 115.8022 53.5805 43.9399 176.0816 103 A 4.8993 7.6917 120.3735 50.7099 21.6292 175.9174 104 N 4.8768 8.1910 116.6193 51.4249 39.0150 173.7737 105 D 4.7116 7.7281 114.3210 52.3849 44.4213 174.7772 106 I 3.8492 8.2073 117.1433 62.5550 38.3010 176.2242 107 R 4.1866 8.6852 119.7099 57.8702 31.4377 176.7060 108 E 3.9380 7.8443 118.6915 54.7982 27.8977 175.5881 109 N 4.9623 7.8834 118.8439 52.2040 38.7571 176.8908 110 L 4.4197 9.5967 124.3927 56.2568 41.1323 174.3826 111 I 5.1569 7.9988 115.8615 59.7379 41.4525 173.5402 112 H 5.2753 9.4545 128.0228 54.3614 32.5554 172.5513 113 A 5.1008 8.4291 126.0516 49.7602 21.6974 176.0974 114 S 4.2924 8.4479 118.1905 59.0553 63.4434 174.4043 115 D 4.8289 8.6736 121.4640 52.9742 40.1774 175.3034 116 S 4.5959 7.2836 113.6757 56.6453 65.7042 175.0460 117 E 4.0913 8.6487 119.5245 59.1352 29.1180 179.3507 118 D 4.3636 7.9956 118.6858 57.5338 41.1200 178.4271 119 S 4.1478 8.4355 115.8348 61.6719 62.7592 176.7227 120 A 3.9876 7.8801 122.6659 55.3504 18.1368 179.8324 121 V 3.5577 7.5512 116.6987 66.0357 31.5639 177.6520 122 D 4.2947 8.2145 117.6678 57.6889 41.2190 178.2755 123 E 4.1518 8.8567 119.2243 59.3358 29.4119 179.4532 124 I 4.1168 8.3418 120.7974 64.2541 36.8882 178.5115 125 S 4.2835 7.8857 114.3547 61.1757 63.1031 176.1954 126 I 3.6270 7.5538 122.6741 63.8283 36.9887 177.7421 127 W 4.6639 7.9673 116.3673 56.7074 30.6123 177.2982 128 F 4.9695 8.2621 117.3410 55.2787 39.9717 172.6586 129 P 4.5708 0.0000 0.0000 62.5727 31.3831 176.3608 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 0 G 8.21 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 0.00 0.00 0.00 1 L 8.12 4.20 0.00 1.75 1.65 0.96 0.44 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 2 Q 9.90 4.79 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 3 R 8.54 5.23 0.00 1.66 1.79 0.00 3.15 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 4 T 8.82 4.74 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 1.18 0.00 0.00 5 L 8.55 5.12 0.00 1.98 1.79 1.20 1.12 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 6 V 9.05 5.51 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 1.04 0.00 0.00 1.15 0.00 0.00 7 L 8.46 4.96 0.00 1.54 1.32 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.06 4.61 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 1.28 1.24 0.79 0.00 0.00 9 K 9.24 4.50 0.00 2.06 1.77 0.00 1.98 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.63 7.81 10 P 0.00 4.59 0.00 1.80 1.99 0.00 3.15 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 11 D 8.45 4.59 0.00 3.01 3.27 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 12 A 8.31 4.01 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 13 F 8.23 3.94 0.00 3.34 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 14 E 8.34 4.07 0.00 2.25 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 2.39 2.57 0.00 15 R 8.05 4.39 0.00 1.90 1.95 0.00 3.40 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 16 S 7.63 3.72 0.00 3.99 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 17 L 8.30 4.64 0.00 1.60 1.60 0.93 0.92 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 18 V 7.44 3.32 1.84 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 0.85 0.00 0.00 -0.02 0.00 0.00 19 A 7.81 4.00 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 20 E 8.15 3.82 0.00 2.07 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 0.00 2.37 2.46 0.00 21 I 7.59 3.79 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 1.52 1.00 0.92 0.00 0.00 22 M 8.23 4.37 0.00 2.17 2.14 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 2.78 2.67 0.00 23 G 8.75 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 24 R 7.49 3.97 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 25 I 7.35 3.81 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.19 -0.18 0.00 0.00 26 E 8.45 3.95 0.00 2.18 2.13 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 2.33 2.41 0.00 27 K 8.30 4.19 0.00 1.92 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 28 K 7.45 4.21 0.00 1.78 1.96 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.39 7.81 29 N 8.21 4.29 0.00 2.71 2.64 0.00 0.00 7.07 6.78 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 30 F 7.95 4.80 0.00 2.86 2.87 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 31 K 8.69 4.85 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.57 7.81 32 I 8.54 3.96 1.87 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 1.03 0.64 0.78 0.00 0.00 33 V 8.82 4.26 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 0.66 0.00 0.00 0.92 0.00 0.00 34 S 7.44 4.65 0.00 2.80 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 35 M 8.47 5.39 0.00 2.01 1.86 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 2.46 2.64 0.00 36 K 9.49 4.62 0.00 1.68 0.98 0.00 1.32 0.00 0.00 1.25 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.42 7.81 37 F 8.65 5.26 0.00 3.00 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 38 W 8.46 4.47 0.00 2.95 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 39 S 8.45 3.65 0.00 3.96 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 40 K 7.63 4.32 0.00 1.61 1.67 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.53 7.81 41 A 8.42 3.86 1.02 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 0.00 0.00 42 P 0.00 4.16 0.00 1.95 1.93 0.00 2.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 43 R 8.74 3.78 0.00 1.81 1.88 0.00 3.17 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 44 N 8.10 4.16 0.00 2.75 2.70 0.00 0.00 7.22 6.66 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 45 L 7.27 3.46 0.00 1.31 0.50 0.55 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.42 3.74 1.98 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 1.72 0.77 1.01 0.00 0.00 47 E 7.98 4.19 0.00 2.15 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 2.62 2.39 0.00 48 Q 8.13 4.07 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 49 H 7.81 3.92 0.00 3.13 3.44 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.98 5.03 0.00 3.44 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 51 K 8.30 3.96 0.00 1.95 2.15 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.52 7.81 52 E 8.35 3.86 0.00 2.03 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 0.00 2.34 2.43 0.00 53 H 8.62 4.66 0.00 3.59 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.86 2.00 0.00 3.22 3.41 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 55 E 7.59 4.16 0.00 1.82 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 0.00 2.16 2.28 0.00 56 Q 7.24 4.08 0.00 1.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 57 S 8.39 4.16 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 58 Y 7.57 4.33 0.00 3.18 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 59 F 7.48 3.94 0.00 3.21 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 60 N 8.12 4.27 0.00 2.79 2.85 0.00 0.00 7.17 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 61 D 8.00 4.36 0.00 2.84 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 62 L 8.19 3.94 0.00 1.89 1.59 -0.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.36 4.03 0.00 2.85 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 64 D 7.95 4.47 0.00 2.88 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 65 F 8.38 4.26 0.00 2.99 3.30 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 66 M 7.87 4.00 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.00 0.00 67 V 7.17 4.28 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 0.73 0.00 0.00 0.86 0.00 0.00 68 S 7.87 4.35 0.00 4.03 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 69 G 6.94 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 0.00 0.00 0.00 70 P 0.00 4.47 0.00 0.49 1.28 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 71 I 8.27 5.00 1.69 0.00 0.00 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 1.27 0.42 0.62 0.00 0.00 72 I 8.78 5.21 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 1.02 0.00 0.00 73 S 9.02 5.04 0.00 3.64 3.14 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 74 I 9.05 4.95 1.51 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.77 0.11 0.00 0.00 75 V 8.30 4.53 1.74 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 0.69 0.00 0.00 0.32 0.00 0.00 76 Y 8.79 5.24 0.00 2.93 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 77 E 9.61 5.27 0.00 2.03 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 0.00 2.25 2.44 0.00 78 G 8.60 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 0.00 0.00 0.00 0.00 79 T 8.66 4.28 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 1.23 0.00 0.00 80 D 8.96 4.39 0.00 2.92 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 81 A 8.48 3.70 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 82 I 8.02 3.55 1.97 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 1.40 0.95 0.91 0.00 0.00 83 S 7.94 4.09 0.00 3.89 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 84 K 8.23 4.03 0.00 1.97 2.07 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.85 1.87 7.81 85 I 7.90 3.55 1.69 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.74 0.00 0.00 86 R 7.91 3.89 0.00 2.11 1.98 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 87 R 7.73 3.85 0.00 2.05 2.08 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 88 L 8.01 4.06 0.00 2.00 1.66 0.94 0.54 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 89 Q 8.54 3.89 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.61 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 90 G 8.50 3.77 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 0.00 0.00 0.00 91 N 8.07 4.94 0.00 2.90 2.89 0.00 0.00 5.74 7.83 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 92 I 8.25 4.17 1.86 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 1.39 0.58 0.89 0.00 0.00 93 L 8.15 4.32 0.00 1.82 1.75 0.91 0.67 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 94 T 7.74 4.41 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 1.21 0.00 0.00 95 P 0.00 4.63 0.00 2.03 1.98 0.00 3.63 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 2.02 2.08 0.00 96 G 10.26 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 0.00 0.00 0.00 97 T 7.44 4.49 4.56 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 1.29 0.00 0.00 98 I 8.67 3.71 1.87 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 1.51 1.31 0.91 0.00 0.00 99 R 8.22 4.11 0.00 2.05 1.97 0.00 3.32 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 100 G 7.79 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 0.00 101 D 8.09 4.69 0.00 2.67 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 0.00 102 L 7.81 4.67 0.00 1.61 1.65 0.96 0.93 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 0.00 103 A 7.69 4.90 1.21 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 0.00 0.00 104 N 8.19 4.88 0.00 2.61 2.71 0.00 0.00 6.72 8.47 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 0.00 105 D 7.73 4.71 0.00 2.54 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 0.00 106 I 8.21 3.85 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.84 0.00 0.00 107 R 8.69 4.19 0.00 1.50 1.75 0.00 3.20 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.38 0.00 108 E 7.84 3.94 0.00 1.79 1.88 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 1.47 1.54 0.00 109 N 7.88 4.96 0.00 2.91 3.11 0.00 0.00 6.20 6.67 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 0.00 110 L 9.60 4.42 0.00 1.98 1.94 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.00 5.16 1.91 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 1.15 0.90 0.94 0.00 0.00 112 H 9.45 5.28 0.00 3.40 3.14 0.00 5.77 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 0.00 113 A 8.43 5.10 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.45 4.29 0.00 3.79 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 0.00 115 D 8.67 4.83 0.00 2.78 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 0.00 116 S 7.28 4.60 0.00 4.00 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 0.00 117 E 8.65 4.09 0.00 2.05 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 2.41 2.41 0.00 118 D 8.00 4.36 0.00 2.70 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 0.00 119 S 8.44 4.15 0.00 3.87 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 0.00 120 A 7.88 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.56 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 1.01 0.00 0.00 1.02 0.00 0.00 122 D 8.21 4.29 0.00 2.97 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 0.00 123 E 8.86 4.15 0.00 2.18 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 0.00 2.25 2.49 0.00 124 I 8.34 4.12 2.00 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 1.69 0.98 1.01 0.00 0.00 125 S 7.89 4.28 0.00 4.03 4.04 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 0.00 126 I 7.55 3.63 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.04 0.00 0.00 127 W 7.97 4.66 0.00 3.40 2.99 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 0.00 128 F 8.26 4.97 0.00 3.29 2.99 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 0.00 129 P 0.00 4.57 0.00 2.18 2.05 0.00 3.60 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 1.92 2.39 0.00