NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0795 8.0544 117.9096 60.5789 33.3226 174.1065 7 V 4.1690 8.1947 124.9307 59.8934 32.9784 173.3730 8 C 4.6087 9.5288 126.9285 59.3531 29.9740 173.2241 9 E 4.2203 8.6263 121.8582 56.1900 30.7689 175.9922 10 V 4.2048 8.0801 121.9510 61.8931 32.5433 175.2250 11 D 4.3202 8.9571 128.1772 54.6026 41.7591 175.4249 12 P 4.2376 0.0000 0.0000 66.1134 31.3046 178.5626 13 E 4.0003 8.3591 116.6621 59.2549 29.3745 178.9709 14 L 3.9616 7.9932 119.9490 58.0518 42.1733 178.8884 15 K 3.9755 8.2911 118.6087 59.5549 31.8971 179.1853 16 E 3.9947 8.1749 118.5444 59.6604 29.3932 179.3419 17 T 3.9140 8.0785 115.8354 66.8257 68.4577 176.6487 18 L 4.0509 8.3636 121.1751 57.5961 41.3985 179.5154 19 R 3.9363 8.0552 117.8687 59.5079 30.0886 178.3850 20 K 4.2447 8.3659 118.4087 59.4593 32.0363 179.0979 21 F 4.0881 8.5192 120.9629 61.3091 39.1093 176.9132 22 R 3.7063 8.0521 117.3622 58.9707 29.7258 177.4700 23 F 4.7634 7.1109 114.0821 56.0447 39.6308 176.1304 24 R 3.9462 6.9577 115.7651 56.9198 29.3102 176.7228 25 K 4.2839 8.2578 117.6815 56.2867 33.1056 176.8668 26 E 4.0780 7.8367 118.9153 56.7516 29.8721 176.5270 27 T 4.1628 8.2482 110.7413 61.2277 69.1423 173.6477 28 N 4.8046 7.7776 119.5263 51.9115 39.4774 173.6496 29 N 5.0054 8.4170 115.2080 53.1347 40.0770 174.5105 30 A 5.3776 9.0378 122.9036 50.9823 23.5558 174.8431 31 A 5.3904 9.7066 120.4363 50.4507 23.4242 175.2285 32 I 4.6671 8.6624 121.2592 59.5173 39.9997 174.7141 33 I 4.9158 8.8640 128.3583 59.8670 39.7138 174.7616 34 M 5.4967 9.2873 125.6263 53.5051 36.3309 174.5307 35 K 5.1485 8.9578 119.9024 55.1005 37.0344 175.1649 36 V 4.1141 8.1999 121.4276 62.5450 32.5712 175.1626 37 D 4.6016 9.2261 128.6541 52.8340 41.1874 176.9348 38 K 3.9929 8.7097 127.0032 59.6010 32.5435 179.5952 39 D 4.3528 8.2091 117.2955 57.3903 40.8131 177.7459 40 R 4.0476 8.3203 115.7926 56.4833 31.2382 176.1602 41 Q 3.4552 7.7046 117.0739 57.0000 26.8624 172.9752 42 M 5.2662 7.8383 115.5014 53.5949 37.4125 176.4250 43 V 4.3754 8.9709 123.2866 62.7319 33.0377 175.3557 44 V 4.8550 8.9467 120.4265 58.9450 36.1714 174.6591 45 L 4.2448 8.5657 124.7970 55.7898 42.0150 175.6358 46 E 4.5421 9.2356 127.3658 57.8013 31.2239 175.6480 47 D 4.8117 7.7462 116.9473 52.8696 45.8148 173.8892 48 E 5.0518 8.7983 122.3814 54.5163 32.0516 174.8079 49 L 4.9809 9.3993 127.0108 53.0705 45.3241 175.7888 50 Q 4.9005 8.7298 120.6658 53.9836 31.9909 174.8183 51 N 4.1763 8.2164 116.6012 54.9180 36.6190 175.0218 52 I 4.6644 7.6204 115.9590 58.9870 40.5934 175.5626 53 S 4.7952 9.1867 123.5638 57.1144 65.3989 173.2905 54 P 4.1803 0.0000 0.0000 65.8022 30.9605 178.6319 55 E 3.9230 8.1398 117.5993 59.2642 29.4551 178.5332 56 E 3.9726 7.9845 117.7514 59.1358 29.7921 178.7406 57 L 3.9896 8.2648 120.8377 57.9501 42.1306 178.6358 58 K 3.7061 8.1729 119.9060 59.8492 31.8529 178.5381 59 L 4.1056 7.6644 116.8673 57.0956 41.5799 178.7289 60 E 4.1041 7.8588 117.7694 57.3366 29.9040 177.0544 61 L 4.2642 7.0247 119.0573 53.0428 42.5602 175.1098 62 P 4.3281 0.0000 0.0000 62.8046 31.7889 176.7903 63 E 4.0795 8.6258 121.4024 58.5488 29.8280 177.8432 64 R 4.5901 7.8297 114.9985 55.3856 31.8005 174.3955 65 Q 4.4821 7.5736 115.6670 53.2990 32.4570 173.2298 66 P 4.4907 0.0000 0.0000 62.5780 32.4798 175.7208 67 R 4.5965 8.4139 119.1376 55.0067 35.1900 174.0570 68 F 5.4360 8.7504 119.9071 56.2202 41.6601 175.2409 69 V 4.8378 8.1701 121.4279 61.1059 35.3306 174.0786 70 V 4.9062 8.7815 127.5364 61.3361 33.8858 173.4058 71 Y 5.5355 9.1667 129.5162 56.0344 41.6750 174.0292 72 S 5.0972 9.5840 122.9075 57.3043 63.7508 171.8351 73 Y 4.8515 8.5224 129.1246 55.3867 41.4677 174.4631 74 K 4.0854 9.0488 128.8757 55.9261 32.7732 175.4078 75 Y 4.0856 8.6145 131.1161 56.1135 40.1715 174.4289 76 V 4.4610 7.7080 127.6932 61.4680 32.5201 175.4795 77 H 4.5612 9.4263 126.0991 55.4793 29.3531 176.4682 78 D 4.3259 8.7410 121.5088 57.4745 40.6933 177.5301 79 D 4.5059 8.0344 115.6934 53.6572 39.8850 177.0177 80 G 3.9989 8.2657 109.2395 44.9853 0.0000 174.3286 81 R 4.1657 8.2837 119.1704 56.4623 31.3466 175.8451 82 V 4.8938 8.2335 120.4920 61.3372 34.5853 174.6567 83 S 4.7198 8.8871 122.1384 56.3614 66.8844 172.9445 84 Y 5.2290 8.1166 116.4098 54.7485 36.9984 174.0235 85 P 4.3977 0.0000 0.0000 62.9779 33.3914 176.5486 86 L 5.1872 8.4067 123.6465 53.7341 43.7750 175.0279 87 C 4.9511 9.3664 124.1774 57.9467 31.6827 172.4647 88 F 5.1878 9.0994 124.9165 56.6906 41.5133 174.4123 89 I 5.1548 8.4042 126.4108 59.5631 40.5118 174.3524 90 F 5.2012 9.7108 131.4066 57.3455 40.5212 174.6806 91 S 4.4233 9.0163 123.4073 57.4496 63.3368 172.7689 92 S 4.6763 8.3696 123.6049 55.0032 62.0939 170.6221 93 P 4.5285 0.0000 0.0000 62.0164 32.1128 178.1322 94 V 3.5348 8.4069 117.1069 64.0889 31.5772 177.6023 95 G 3.8016 7.8553 106.6181 45.9231 0.0000 173.5590 96 C 4.6011 7.5811 114.7150 56.5478 30.6306 174.4156 97 K 4.0313 8.4088 121.0719 56.0614 33.2963 176.2668 98 P 4.2239 0.0000 0.0000 65.9866 31.3253 178.4178 99 E 3.9632 8.1938 117.3440 59.3854 29.5395 178.5791 100 Q 4.0747 8.0088 119.0734 58.9248 29.2836 177.2433 101 Q 4.0168 8.3418 121.0318 59.8221 28.9934 178.5051 102 M 4.3266 8.5878 119.2620 58.4489 31.9971 177.7747 103 M 4.0535 8.0843 117.9591 58.9228 32.7770 177.5623 104 Y 4.1500 8.4410 116.5613 61.0320 37.9480 178.1880 105 A 4.1745 8.9308 122.3314 55.3624 18.3193 179.9402 106 G 3.6554 8.5058 102.9398 46.9844 0.0000 174.9854 107 S 4.5971 7.9346 115.6833 58.1851 63.4501 175.9083 108 K 3.3015 7.5028 123.9486 59.4970 31.8772 178.2941 109 N 4.1110 7.8972 116.1313 56.1973 38.4179 177.1641 110 R 3.7503 7.7535 119.5960 59.2403 30.2005 178.1994 111 L 3.7372 7.4446 119.6190 57.9937 42.0553 179.0222 112 V 3.0979 7.4530 118.5016 65.9293 31.3630 178.0518 113 Q 3.8770 8.0954 117.9259 59.1832 28.3184 178.6789 114 T 3.8220 7.7690 115.5829 66.5935 68.6599 175.8315 115 A 4.1975 7.8421 119.2666 51.7575 18.8179 176.9939 116 E 3.7158 7.7639 115.5084 57.0193 27.7517 174.5185 117 L 4.3548 7.6255 118.1433 54.2846 42.5642 177.1751 118 T 4.2450 8.2494 111.2141 61.4230 70.5617 174.2840 119 K 3.8959 7.4581 122.0842 54.6752 33.0452 175.2900 120 V 4.6526 7.8784 124.8320 61.0169 33.7453 174.4346 121 F 5.6044 9.4852 126.3481 55.9136 43.0786 173.9626 122 E 5.5094 9.2047 120.1968 54.7832 32.7214 174.2370 123 I 4.4804 8.7220 119.3951 59.1877 40.8417 175.8793 124 R 4.8779 8.2774 121.2023 55.5839 31.7745 175.4093 125 T 4.7672 7.2538 113.2985 60.4444 70.5293 174.4868 126 T 3.7831 8.3645 117.2020 64.4960 68.9584 176.0568 127 D 4.2993 7.6094 121.1155 56.9287 40.8101 177.0440 128 D 4.2186 7.4931 117.2290 55.1288 40.9987 176.9706 129 L 3.7433 7.2075 122.0754 53.7782 40.5715 175.9970 130 T 4.7615 7.7737 114.4709 58.8401 73.1976 174.3057 131 E 3.9464 8.6460 121.7228 59.6073 29.6924 179.1341 132 T 3.8540 7.8979 115.4571 66.2666 68.5515 176.0306 133 W 4.1266 8.3160 130.2243 60.4355 30.6518 177.6878 134 L 3.0028 8.1924 120.0492 57.9221 41.5716 179.0259 135 K 4.1321 8.2200 118.7279 59.5900 31.7104 179.2495 136 E 3.9817 7.9090 118.0165 59.1461 29.3742 179.0715 137 K 3.7098 7.6946 118.8560 59.4753 31.8803 179.4599 138 L 4.3950 8.0622 118.8709 57.5979 41.5217 179.3018 139 A 3.9955 8.2492 120.7705 54.7815 17.9946 179.2692 140 F 4.0947 7.8240 118.4277 60.8013 39.4103 176.2319 141 F 4.3643 8.0255 114.9270 57.4070 39.1938 175.9772 142 R 4.1279 7.7833 123.4934 56.3620 29.9886 176.1762 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 6 V 8.05 4.08 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 0.91 0.00 0.00 0.93 0.00 0.00 7 V 8.19 4.17 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 0.97 0.00 0.00 0.92 0.00 0.00 8 C 9.53 4.61 0.00 2.82 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 9 E 8.63 4.22 0.00 1.95 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 0.00 2.31 2.24 0.00 10 V 8.08 4.20 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 0.72 0.00 0.00 0.86 0.00 0.00 11 D 8.96 4.32 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.20 2.11 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 13 E 8.36 4.00 0.00 2.19 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 2.41 2.37 0.00 14 L 7.99 3.96 0.00 1.76 1.86 0.92 0.76 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 15 K 8.29 3.98 0.00 2.03 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.68 7.81 16 E 8.17 3.99 0.00 2.18 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 2.35 2.52 0.00 17 T 8.08 3.91 4.42 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 1.20 0.00 0.00 18 L 8.36 4.05 0.00 1.89 1.74 0.93 0.65 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 19 R 8.06 3.94 0.00 1.99 2.20 0.00 3.36 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 20 K 8.37 4.24 0.00 1.94 1.94 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.68 7.81 21 F 8.52 4.09 0.00 3.28 3.22 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 22 R 8.05 3.71 0.00 1.60 1.64 0.00 2.76 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 23 F 7.11 4.76 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.96 3.95 0.00 1.97 1.79 0.00 2.21 0.00 0.00 2.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 25 K 8.26 4.28 0.00 1.70 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.53 7.81 26 E 7.84 4.08 0.00 1.84 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 2.29 2.32 0.00 27 T 8.25 4.16 4.28 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 0.93 0.00 0.00 28 N 7.78 4.80 0.00 2.95 2.90 0.00 0.00 6.23 8.04 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 29 N 8.42 5.01 0.00 2.90 3.01 0.00 0.00 6.45 7.81 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 30 A 9.04 5.38 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 31 A 9.71 5.39 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 32 I 8.66 4.67 1.48 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.35 0.79 0.00 0.00 33 I 8.86 4.92 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 1.19 0.72 0.96 0.00 0.00 34 M 9.29 5.50 0.00 2.06 2.15 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 2.53 2.50 0.00 35 K 8.96 5.15 0.00 1.92 1.94 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 36 V 8.20 4.11 1.60 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 0.60 0.00 0.00 -0.03 0.00 0.00 37 D 9.23 4.60 0.00 2.71 2.66 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 38 K 8.71 3.99 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.48 7.81 39 D 8.21 4.35 0.00 2.78 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 40 R 8.32 4.05 0.00 1.92 1.97 0.00 3.31 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 41 Q 7.70 3.46 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 42 M 7.84 5.27 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 43 V 8.97 4.38 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 1.23 0.00 0.00 0.98 0.00 0.00 44 V 8.95 4.85 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 0.70 0.00 0.00 0.98 0.00 0.00 45 L 8.57 4.24 0.00 1.64 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.24 4.54 0.00 2.00 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 0.00 2.24 2.28 0.00 47 D 7.75 4.81 0.00 2.59 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 0.00 0.00 0.00 0.00 48 E 8.80 5.05 0.00 1.91 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 2.29 0.00 49 L 9.40 4.98 0.00 1.61 1.56 0.93 0.72 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 50 Q 8.73 4.90 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 51 N 8.22 4.18 0.00 2.90 2.89 0.00 0.00 6.67 7.53 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 52 I 7.62 4.66 1.98 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 1.52 0.95 1.21 0.00 0.00 53 S 9.19 4.80 0.00 4.20 4.09 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 54 P 0.00 4.18 0.00 2.24 2.21 0.00 3.78 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 55 E 8.14 3.92 0.00 2.05 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 2.37 2.39 0.00 56 E 7.98 3.97 0.00 2.25 2.02 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 2.37 2.34 0.00 57 L 8.26 3.99 0.00 1.52 1.63 0.79 -0.48 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 58 K 8.17 3.71 0.00 1.95 1.97 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.57 7.81 59 L 7.66 4.11 0.00 1.81 1.69 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.86 4.10 0.00 2.08 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 2.55 2.48 0.00 61 L 7.02 4.26 0.00 1.70 1.48 0.81 1.01 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 62 P 0.00 4.33 0.00 2.09 2.04 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 63 E 8.63 4.08 0.00 1.90 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 2.24 2.26 0.00 64 R 7.83 4.59 0.00 1.76 1.80 0.00 3.02 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 65 Q 7.57 4.48 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.05 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 66 P 0.00 4.49 0.00 0.49 1.52 0.00 3.12 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 67 R 8.41 4.60 0.00 1.58 1.72 0.00 3.42 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 68 F 8.75 5.44 0.00 3.06 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 69 V 8.17 4.84 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 0.82 0.00 0.00 0.88 0.00 0.00 70 V 8.78 4.91 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 1.05 0.00 0.00 1.08 0.00 0.00 71 Y 9.17 5.54 0.00 3.05 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 72 S 9.58 5.10 0.00 3.79 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 73 Y 8.52 4.85 0.00 2.53 2.69 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 74 K 9.05 4.09 0.00 1.72 1.50 0.00 2.14 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.13 0.98 7.81 75 Y 8.61 4.09 0.00 3.05 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 76 V 7.71 4.46 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 0.80 0.00 0.00 0.78 0.00 0.00 77 H 9.43 4.56 0.00 3.41 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.74 4.33 0.00 2.69 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 79 D 8.03 4.51 0.00 2.79 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 80 G 8.27 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 0.00 0.00 0.00 81 R 8.28 4.17 0.00 1.72 1.79 0.00 2.98 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 82 V 8.23 4.89 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 0.22 0.00 0.00 0.90 0.00 0.00 83 S 8.89 4.72 0.00 3.70 3.65 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 0.00 0.00 0.00 0.00 84 Y 8.12 5.23 0.00 2.78 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 85 P 0.00 4.40 0.00 2.17 2.17 0.00 3.96 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 2.38 2.07 0.00 86 L 8.41 5.19 0.00 1.61 1.56 1.09 0.85 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 87 C 9.37 4.95 0.00 3.10 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 88 F 9.10 5.19 0.00 3.01 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 89 I 8.40 5.15 1.92 0.00 0.00 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 1.67 0.92 1.08 0.00 0.00 90 F 9.71 5.20 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 91 S 9.02 4.42 0.00 3.84 3.72 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 92 S 8.37 4.68 0.00 2.72 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 93 P 0.00 4.53 0.00 1.96 1.92 0.00 3.41 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 94 V 8.41 3.53 2.02 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 0.62 0.00 0.00 0.91 0.00 0.00 95 G 7.86 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 96 C 7.58 4.60 0.00 3.01 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 97 K 8.41 4.03 0.00 1.82 1.78 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 98 P 0.00 4.22 0.00 2.16 2.13 0.00 3.60 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 2.12 2.16 0.00 99 E 8.19 3.96 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 2.41 2.40 0.00 100 Q 8.01 4.07 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 101 Q 8.34 4.02 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 102 M 8.59 4.33 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 103 M 8.08 4.05 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 104 Y 8.44 4.15 0.00 3.38 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 0.00 105 A 8.93 4.17 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.51 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 0.00 0.00 0.00 107 S 7.93 4.60 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 0.00 108 K 7.50 3.30 0.00 1.54 1.74 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 1.33 7.81 109 N 7.90 4.11 0.00 2.68 2.75 0.00 0.00 6.69 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 0.00 110 R 7.75 3.75 0.00 1.79 1.94 0.00 3.33 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 1.61 1.62 0.00 111 L 7.44 3.74 0.00 1.50 1.27 0.86 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.45 3.10 1.80 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 0.71 0.00 0.00 -0.24 0.00 0.00 113 Q 8.10 3.88 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 114 T 7.77 3.82 4.33 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 1.18 0.00 0.00 115 A 7.84 4.20 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 0.00 116 E 7.76 3.72 0.00 2.12 2.02 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 2.23 2.42 0.00 117 L 7.63 4.35 0.00 1.52 1.51 1.08 0.80 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 0.00 118 T 8.25 4.25 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 1.18 0.00 0.00 119 K 7.46 3.90 0.00 1.39 1.06 0.00 1.44 0.00 0.00 1.27 0.00 0.00 2.22 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.78 7.81 120 V 7.88 4.65 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 0.88 0.00 0.00 0.77 0.00 0.00 121 F 9.49 5.60 0.00 3.28 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 0.00 122 E 9.20 5.51 0.00 2.22 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 2.17 2.39 0.00 123 I 8.72 4.48 1.63 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.91 0.06 0.00 0.00 124 R 8.28 4.88 0.00 1.63 1.85 0.00 3.39 0.00 0.00 3.28 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.00 125 T 7.25 4.77 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 1.07 0.00 0.00 126 T 8.36 3.78 4.12 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 1.12 0.00 0.00 127 D 7.61 4.30 0.00 2.60 2.69 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 0.00 128 D 7.49 4.22 0.00 2.43 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 0.00 0.00 0.00 129 L 7.21 3.74 0.00 1.33 1.44 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.77 4.76 4.28 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 1.19 0.00 0.00 131 E 8.65 3.95 0.00 2.13 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 2.43 2.43 0.00 132 T 7.90 3.85 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 1.24 0.00 0.00 133 W 8.32 4.13 0.00 3.36 3.36 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 0.00 134 L 8.19 3.00 0.00 1.95 1.62 0.87 0.31 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 0.00 135 K 8.22 4.13 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.41 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.49 1.63 7.81 136 E 7.91 3.98 0.00 1.96 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 2.34 2.50 0.00 137 K 7.69 3.71 0.00 0.79 0.74 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.21 7.81 138 L 8.06 4.39 0.00 1.97 1.73 1.17 0.93 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 0.00 139 A 8.25 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 7.82 4.09 0.00 2.72 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 0.00 141 F 8.03 4.36 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 0.00 142 R 7.78 4.13 0.00 1.99 1.82 0.00 3.11 0.00 0.00 2.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00