NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0859 8.0549 120.3901 62.3086 32.2465 175.2715 2 L 3.9373 8.2336 127.5846 52.6473 42.1827 176.1718 3 S 4.5498 9.6860 118.5956 57.6760 66.2898 175.0283 4 E 4.2608 8.8260 121.8366 59.6708 29.2415 179.8277 5 G 3.6776 8.1314 105.1574 47.9168 0.0000 175.4240 6 E 3.9362 8.2602 120.9988 58.8331 29.3903 179.2605 7 W 4.5944 8.2178 119.2100 60.1668 29.1674 178.2245 8 Q 4.1125 8.6649 119.5910 59.2529 28.2758 178.5188 9 L 4.0836 7.9237 119.5502 57.6706 41.6746 179.5571 10 V 3.8016 7.9982 118.0938 66.2386 31.6351 177.8850 11 L 4.4212 8.5709 117.8115 56.7205 41.3584 178.8349 12 H 4.1928 8.3323 118.7822 59.2330 30.3218 177.2025 13 V 3.7039 7.7750 121.2433 64.5773 31.2143 178.1369 14 W 3.8120 8.6590 128.7897 59.9881 30.6612 177.8381 15 A 4.0181 8.1879 120.9163 54.8209 17.5861 179.7431 16 K 3.8474 7.6514 117.0410 59.4473 31.9400 179.7097 17 V 3.0040 6.9975 118.5801 65.3937 31.0376 177.3168 18 E 3.9845 6.9506 114.7379 57.4319 29.3871 178.0428 19 A 4.2379 7.4167 120.8018 53.3012 20.3210 177.4891 20 D 4.6480 7.9371 116.9071 51.8350 42.2458 175.4812 21 V 3.4761 7.8779 123.9870 66.1156 32.0176 176.7668 22 A 4.0535 8.0067 119.9816 55.0239 18.2512 179.6658 23 G 3.5319 8.5311 104.3250 46.0814 0.0000 175.6116 24 H 4.1130 8.2287 119.0187 58.5871 28.6894 178.2196 25 G 3.5916 8.2536 107.5872 47.6095 0.0000 175.8430 26 Q 3.8702 8.2233 120.4373 59.0850 28.7820 178.6749 27 D 4.2824 7.9322 119.8109 57.2862 40.7895 179.0063 28 I 3.6935 8.0588 120.8324 64.2779 37.0340 178.5201 29 L 3.4762 7.8590 119.9400 57.3687 41.2293 179.4969 30 I 3.5682 7.7271 120.1481 64.3888 37.0070 178.2558 31 R 3.7882 7.9098 119.4171 59.2622 29.7512 178.0928 32 L 3.9290 7.7963 119.9312 58.4825 41.8826 179.1694 33 F 4.5954 7.8177 116.3422 60.4704 38.8554 177.6967 34 K 4.1681 8.2847 117.9579 59.4628 31.9650 179.3221 35 S 4.3349 8.2622 114.9819 60.3219 64.0147 174.4878 36 H 4.6564 8.2095 118.5524 52.1423 29.7782 171.8701 37 P 4.4376 0.0000 0.0000 64.9439 31.5010 177.4069 38 E 4.1028 8.2649 116.4930 59.4815 29.3491 179.1997 39 T 4.0498 8.1581 111.5208 64.6252 68.9002 176.4325 40 L 3.5997 7.9413 122.8896 57.6458 41.7969 178.4521 41 E 4.0557 7.7339 116.9172 58.6137 29.6117 178.4119 42 K 4.4133 8.0568 116.8300 57.1720 32.4001 177.1249 43 F 4.6204 8.2508 119.0028 55.6409 39.7814 175.7233 44 D 4.3547 8.6102 125.2637 57.3625 40.4470 178.6790 45 R 3.5693 7.9119 117.9216 58.5468 30.1157 176.6905 46 F 5.0135 8.1466 114.4514 56.6147 40.8960 176.4384 47 K 4.1309 7.6556 119.3231 58.4601 32.4570 177.7372 48 H 4.3351 8.0932 114.8394 57.3830 28.8287 175.2120 49 L 4.3309 7.7753 121.8993 54.3005 41.5334 176.6346 50 K 4.5399 9.6253 122.7835 56.0145 33.9622 176.5717 51 T 4.7454 7.4610 108.8091 58.9793 73.2216 174.1842 52 E 3.8935 8.6785 121.5186 59.1581 29.7138 178.7960 53 A 3.9848 7.9867 120.7031 55.0268 18.2132 179.3304 54 E 3.8977 8.1624 116.3883 59.7793 29.9890 178.9121 55 M 4.1506 8.1980 118.8919 58.6313 31.8583 179.1326 56 K 4.0058 8.2364 117.0838 58.8307 32.2757 178.4217 57 A 4.4388 7.6055 118.7357 51.5529 19.1170 176.9737 58 S 4.3688 7.4915 113.8661 57.1927 62.8597 174.4962 59 E 4.0048 8.8590 129.1579 59.3109 29.4923 177.9910 60 D 4.4158 8.1870 117.8450 57.1301 41.2658 177.8562 61 L 3.5573 8.1271 121.1567 57.6673 42.1353 178.7196 62 K 3.8331 8.0096 119.6626 59.4384 32.1235 178.7033 63 K 3.9446 8.3418 118.9387 60.0444 31.9714 178.8466 64 H 4.4133 8.6741 118.4005 58.9752 29.7540 177.4088 65 G 3.5953 8.3792 108.0944 47.7660 0.0000 175.8617 66 V 3.6240 7.7903 120.2418 65.9085 31.6583 178.0965 67 T 3.8755 8.0122 115.5854 66.7239 68.2930 176.4995 68 V 3.6286 7.9681 120.1055 66.2678 31.5576 178.1490 69 L 4.2497 8.1908 118.3512 57.8028 41.4277 179.6461 70 T 4.0214 8.3867 116.3333 66.3630 68.4486 176.6307 71 A 3.9977 7.9955 122.5251 55.1452 18.3828 179.4668 72 L 3.8020 8.2250 119.1741 58.0188 42.0160 179.3477 73 G 3.3192 8.5447 105.9689 47.7252 0.0000 175.5572 74 A 3.9920 7.8256 122.1183 54.6999 18.5936 179.6412 75 I 3.8328 7.5156 118.3139 64.5433 37.1841 178.5387 76 L 3.9909 7.8423 120.1331 57.6605 41.2158 179.3376 77 K 4.0386 7.8700 116.1552 57.7727 32.2076 178.3242 78 K 4.0586 7.8241 118.6524 55.1550 33.0148 176.1412 79 K 2.0000 8.3510 118.5152 56.4256 29.7280 174.6805 80 G 4.0715 7.8953 105.9937 45.8669 0.0000 173.6676 81 H 4.5764 7.5479 118.8906 55.2242 27.5242 174.8914 82 H 5.2984 7.2650 110.5559 54.3703 29.8784 176.5116 83 E 3.9396 8.4319 122.7400 60.1528 29.1888 178.3682 84 A 4.0474 7.9353 119.0755 55.1648 18.2153 178.9165 85 E 4.1396 8.1133 116.6172 59.2074 29.6877 179.0595 86 L 4.2671 8.2313 119.1349 57.0159 41.5971 178.6782 87 K 3.8499 7.9560 119.8681 59.5796 31.9586 176.8185 88 P 4.2485 0.0000 0.0000 65.5497 31.3026 178.0932 89 L 3.9732 7.5272 120.3367 57.9769 41.9948 178.8073 90 A 4.1202 8.6799 121.1242 55.2941 18.2997 179.5721 91 Q 3.7888 8.3900 117.1365 59.1697 28.8178 179.3441 92 S 3.9947 8.2630 115.3158 61.6136 63.0956 176.2310 93 H 4.2364 8.5964 119.7999 58.2042 27.8480 177.7375 94 A 2.9559 7.8640 123.1987 54.5846 17.9535 179.2420 95 T 3.6746 7.1781 105.6220 61.8634 69.7790 175.4485 96 K 4.1798 7.4188 120.6432 58.2845 33.2765 176.8836 97 H 4.3220 8.0860 114.0741 56.0927 29.4095 175.1866 98 K 3.7755 7.0251 114.0315 57.4488 29.0774 176.1821 99 I 4.3032 7.8881 119.0686 58.7828 39.2153 175.0928 100 P 4.5035 0.0000 0.0000 61.9690 32.2365 177.2356 101 I 3.4211 8.5000 122.1676 64.8420 36.8668 178.5387 102 K 3.7427 7.8436 119.3869 59.4193 32.0101 177.9530 103 Y 4.0707 7.8648 116.3383 59.9843 37.7832 177.7428 104 L 4.2279 7.9705 120.5770 57.1943 41.7945 178.7535 105 E 3.9670 7.8727 119.1156 59.2757 29.6488 178.6701 106 F 4.4791 7.9580 117.9159 60.7893 38.9460 177.5500 107 I 3.9170 8.2300 118.0615 63.8926 37.6927 178.0920 108 S 4.2639 8.2553 116.4487 61.5193 62.5279 176.4046 109 E 4.0444 8.5235 121.2508 59.3341 29.1683 179.2367 110 A 4.0297 8.1165 120.9474 55.0080 18.4346 179.7341 111 I 3.6734 8.2586 118.7951 64.7252 37.2593 178.6852 112 I 3.8762 8.0433 120.6849 64.5978 36.8589 178.0060 113 H 4.1007 8.5512 119.1806 59.4045 29.7196 177.4958 114 V 3.5452 8.0054 120.0844 66.0340 31.2647 177.9930 115 L 3.7734 7.9246 118.7746 57.6325 41.0432 178.9659 116 H 4.3790 7.9763 117.6549 59.2905 29.9389 177.1516 117 S 4.1779 7.9488 115.9512 61.7032 62.8407 176.5118 118 R 4.1254 7.7697 118.0820 57.1509 31.2389 176.3371 119 H 5.0326 8.1404 116.2438 54.0053 29.8582 173.1314 120 P 4.3055 0.0000 0.0000 65.7916 31.6871 179.0252 121 G 3.7585 8.1000 106.1671 47.2641 0.0000 173.6204 122 D 5.0563 8.0891 118.5859 53.9619 41.5665 176.5102 123 F 5.0347 8.0402 120.5891 56.3255 39.7161 174.9432 124 G 3.8886 7.8633 108.3569 44.2492 0.0000 172.3990 125 A 3.8901 8.4377 120.8066 54.9326 18.3679 179.6112 126 D 4.2044 7.9989 117.1122 56.7830 39.3641 178.7122 127 A 4.0009 7.7726 121.8133 54.4492 18.3542 179.4287 128 Q 3.1783 7.8066 117.2555 58.8686 28.6527 179.3424 129 G 3.4889 8.2806 106.8509 47.5951 0.0000 175.6744 130 A 3.8532 7.9675 123.1389 55.1445 18.3136 179.4598 131 M 4.0529 8.4675 117.2084 58.4391 32.2644 177.8242 132 N 4.2809 8.4837 117.7840 56.8373 39.1079 176.9142 133 K 3.8987 8.2270 119.6626 59.3678 32.0729 179.2026 134 A 3.8058 8.2098 121.3959 55.1606 18.2473 179.7594 135 L 4.0514 8.2737 117.7882 57.8021 41.6749 179.4813 136 E 3.9818 8.6554 119.1946 59.3624 29.4018 179.1797 137 L 4.0365 8.2068 120.4697 57.8579 42.1407 178.5303 138 F 4.0951 8.3359 120.7487 61.6739 39.3010 177.4524 139 R 3.6207 8.3253 117.5301 58.8421 29.7980 178.9572 140 K 3.8240 8.4889 119.8644 59.7450 32.0171 178.6355 141 D 4.3800 8.1437 119.0069 57.0482 40.6952 178.9266 142 I 3.5365 7.5812 120.2694 64.1960 36.9734 178.0465 143 A 3.6306 8.1825 121.6815 55.2814 18.0751 179.6003 144 A 3.9617 7.9494 119.0400 55.1503 18.4277 180.0917 145 K 4.0077 7.8855 117.1039 59.5555 32.1039 178.9391 146 Y 4.1869 8.4200 117.3738 61.2757 37.8268 178.8560 147 K 3.9994 8.5220 120.5684 59.3887 32.0542 178.0870 148 E 3.9268 7.9532 118.5904 59.4999 29.6906 178.4367 149 L 4.4246 7.7111 115.2517 55.0819 41.9467 177.6314 150 G 3.8049 8.1640 107.2986 46.0729 0.0000 173.5289 151 Y 4.5662 8.2628 114.3807 57.3527 38.6844 176.8652 152 Q 4.1355 8.3016 123.8115 57.4471 29.5379 176.1434 153 G 4.0311 8.2087 110.3134 45.5853 0.0000 172.8819 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 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.23 3.94 0.00 0.67 0.67 0.55 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.69 4.55 0.00 4.03 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 4 E 8.83 4.26 0.00 2.06 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 2.50 2.39 0.00 5 G 8.13 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 6 E 8.26 3.94 0.00 1.96 1.75 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 2.23 2.27 0.00 7 W 8.22 4.59 0.00 3.50 3.12 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 0.00 0.00 0.00 0.00 8 Q 8.66 4.11 0.00 2.26 2.26 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 2.42 2.49 0.00 9 L 7.92 4.08 0.00 1.94 1.76 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.80 2.51 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 1.21 0.00 0.00 0.92 0.00 0.00 11 L 8.57 4.42 0.00 1.85 1.81 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.33 4.19 0.00 3.34 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.77 3.70 2.43 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 0.99 0.00 0.00 0.81 0.00 0.00 14 W 8.66 3.81 0.00 3.72 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 15 A 8.19 4.02 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 16 K 7.65 3.85 0.00 1.40 1.50 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.41 7.81 17 V 7.00 3.00 0.75 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 0.04 0.00 0.00 18 E 6.95 3.98 0.00 1.97 1.91 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 2.18 2.08 0.00 19 A 7.42 4.24 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 20 D 7.94 4.65 0.00 2.63 2.51 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 21 V 7.88 3.48 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.01 4.05 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 23 G 8.53 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 24 H 8.23 4.11 0.00 3.26 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.87 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 27 D 7.93 4.28 0.00 2.62 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 28 I 8.06 3.69 2.01 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 1.51 0.69 0.88 0.00 0.00 29 L 7.86 3.48 0.00 1.26 0.71 0.74 0.38 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 30 I 7.73 3.57 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.87 0.00 0.00 31 R 7.91 3.79 0.00 1.86 1.99 0.00 3.06 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 32 L 7.80 3.93 0.00 1.78 1.48 1.07 0.99 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 33 F 7.82 4.60 0.00 3.07 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 34 K 8.28 4.17 0.00 1.72 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 S 8.26 4.33 0.00 3.78 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 36 H 8.21 4.66 0.00 2.98 2.73 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.14 2.10 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 38 E 8.26 4.10 0.00 2.28 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 0.00 1.97 2.38 0.00 39 T 8.16 4.05 4.54 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 1.00 0.00 0.00 40 L 7.94 3.60 0.00 1.22 1.71 -0.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.73 4.06 0.00 2.08 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 2.39 2.45 0.00 42 K 8.06 4.41 0.00 1.98 1.72 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.95 7.81 43 F 8.25 4.62 0.00 3.17 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 44 D 8.61 4.35 0.00 2.65 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 45 R 7.91 3.57 0.00 1.47 0.87 0.00 2.98 0.00 0.00 2.79 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.42 0.00 46 F 8.15 5.01 0.00 2.87 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 47 K 7.66 4.13 0.00 1.87 2.23 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.39 7.81 48 H 8.09 4.34 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.78 4.33 0.00 1.62 1.59 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.63 4.54 0.00 1.65 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.46 4.75 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 1.21 0.00 0.00 52 E 8.68 3.89 0.00 2.04 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 2.35 2.35 0.00 53 A 7.99 3.98 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 54 E 8.16 3.90 0.00 2.12 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 2.36 2.35 0.00 55 M 8.20 4.15 0.00 2.04 2.27 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 2.82 2.59 0.00 56 K 8.24 4.01 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.61 4.44 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 58 S 7.49 4.37 0.00 3.95 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 59 E 8.86 4.00 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.13 3.56 0.00 1.43 1.61 -0.20 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.01 3.83 0.00 1.86 1.97 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.34 3.94 0.00 2.15 1.94 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 64 H 8.67 4.41 0.00 3.65 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.38 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 66 V 7.79 3.62 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 8.01 3.88 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 68 V 7.97 3.63 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 1.16 0.00 0.00 1.01 0.00 0.00 69 L 8.19 4.25 0.00 1.82 1.95 0.91 0.80 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 70 T 8.39 4.02 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 1.26 0.00 0.00 71 A 8.00 4.00 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 72 L 8.22 3.80 0.00 1.67 1.69 0.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 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 0.00 0.00 0.00 74 A 7.83 3.99 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 75 I 7.52 3.83 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 0.98 0.00 0.00 76 L 7.84 3.99 0.00 1.30 1.53 -0.20 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.87 4.04 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.82 4.06 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.78 7.81 79 K 8.35 2.00 0.00 1.24 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.86 7.81 80 G 7.90 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.55 4.58 0.00 3.12 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.30 0.00 3.30 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.43 3.94 0.00 2.12 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 2.39 2.46 0.00 84 A 7.94 4.05 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 85 E 8.11 4.14 0.00 2.27 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 2.41 2.47 0.00 86 L 8.23 4.27 0.00 1.72 1.65 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.96 3.85 0.00 2.00 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.25 0.00 2.32 2.30 0.00 3.83 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 2.09 2.03 0.00 89 L 7.53 3.97 0.00 2.01 1.86 0.99 1.13 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 90 A 8.68 4.12 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 91 Q 8.39 3.79 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 92 S 8.26 3.99 0.00 3.87 4.08 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 93 H 8.60 4.24 0.00 3.47 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.86 2.96 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.18 3.67 4.11 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 0.81 0.00 0.00 96 K 7.42 4.18 0.00 1.54 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.09 4.32 0.00 2.98 3.12 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.03 3.78 0.00 1.93 1.88 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.89 4.30 2.03 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 1.31 0.95 1.09 0.00 0.00 100 P 0.00 4.50 0.00 1.70 1.76 0.00 2.30 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.78 0.00 101 I 8.50 3.42 1.71 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.71 0.00 0.00 102 K 7.84 3.74 0.00 1.74 1.67 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 0.70 7.81 103 Y 7.86 4.07 0.00 3.12 3.05 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 0.00 104 L 7.97 4.23 0.00 1.82 1.83 0.67 0.71 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 0.00 105 E 7.87 3.97 0.00 1.95 1.93 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 2.44 2.43 0.00 106 F 7.96 4.48 0.00 3.23 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 0.00 107 I 8.23 3.92 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 1.09 0.00 0.00 108 S 8.26 4.26 0.00 4.20 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 0.00 109 E 8.52 4.04 0.00 2.31 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 2.68 2.61 0.00 110 A 8.12 4.03 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 0.00 111 I 8.26 3.67 2.08 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 1.60 1.04 1.05 0.00 0.00 112 I 8.04 3.88 2.01 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 1.68 0.95 1.19 0.00 0.00 113 H 8.55 4.10 0.00 3.34 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.55 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 0.97 0.00 0.00 115 L 7.92 3.77 0.00 1.13 0.44 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.98 4.38 0.00 3.51 3.57 0.00 5.96 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 0.00 117 S 7.95 4.18 0.00 3.95 3.84 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 0.00 118 R 7.77 4.13 0.00 1.53 1.47 0.00 2.77 0.00 0.00 2.67 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 119 H 8.14 5.03 0.00 3.17 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.19 2.21 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.10 3.76 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 0.00 0.00 0.00 122 D 8.09 5.06 0.00 2.75 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 0.00 123 F 8.04 5.03 0.00 2.98 3.05 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 0.00 124 G 7.86 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 0.00 125 A 8.44 3.89 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 0.00 126 D 8.00 4.20 0.00 2.87 2.90 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 0.00 127 A 7.77 4.00 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 0.00 128 Q 7.81 3.18 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 129 G 8.28 3.49 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 0.00 130 A 7.97 3.85 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 0.00 131 M 8.47 4.05 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.48 4.28 0.00 2.85 2.94 0.00 0.00 7.16 6.77 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 0.00 133 K 8.23 3.90 0.00 1.83 1.67 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.21 3.81 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 0.00 135 L 8.27 4.05 0.00 1.73 1.77 0.97 0.98 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 0.00 136 E 8.66 3.98 0.00 2.19 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 2.34 2.52 0.00 137 L 8.21 4.04 0.00 1.87 1.97 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.10 0.00 3.05 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 0.00 139 R 8.33 3.62 0.00 2.01 1.87 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 140 K 8.49 3.82 0.00 1.81 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.14 4.38 0.00 2.77 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 0.00 142 I 7.58 3.54 1.34 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.25 0.47 0.00 0.00 143 A 8.18 3.63 1.23 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 0.00 0.00 144 A 7.95 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 0.00 145 K 7.89 4.01 0.00 2.03 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.62 7.81 146 Y 8.42 4.19 0.00 2.94 3.05 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 0.00 147 K 8.52 4.00 0.00 2.06 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.95 3.93 0.00 2.05 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 0.00 2.36 2.39 0.00 149 L 7.71 4.42 0.00 1.98 1.96 0.82 1.06 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 0.00 150 G 8.16 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 0.00 0.00 0.00 151 Y 8.26 4.57 0.00 2.71 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 0.00 152 Q 8.30 4.14 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 153 G 8.21 4.03 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 0.00 0.00 0.00