NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9217 8.0544 114.0610 61.8071 32.4498 173.2606 8 D 4.1224 8.6052 127.6131 51.7395 38.4073 171.3656 9 P 4.4448 0.0000 0.0000 64.3626 32.6788 177.5357 10 R 4.4435 7.9904 116.5630 55.8555 30.1808 175.9709 11 A 4.4919 7.5829 121.2457 50.4570 19.9033 177.9867 12 K 4.1061 8.3987 120.7359 55.9867 32.8140 176.7768 13 W 4.4862 8.7682 135.0000 57.9844 31.1969 176.3696 14 Q 4.2144 6.8760 121.7950 53.8994 28.4484 172.4269 15 P 4.1434 0.0000 0.0000 63.0432 32.4059 175.8166 16 Q 4.7328 8.7036 116.9849 54.7540 31.8472 174.5632 17 D 5.3961 8.4009 115.7234 53.8609 41.1292 174.7387 18 N 4.9824 10.5246 114.2473 52.0575 39.0901 174.1139 19 D 4.3798 8.1161 119.2212 52.8424 42.3525 175.2406 20 I 2.9376 7.9980 120.7800 62.6020 37.7319 176.7342 21 Q 4.3721 8.0956 119.2400 55.5116 29.0214 174.8658 22 A 4.8282 7.4634 122.1516 50.4794 20.9654 177.6015 23 C 4.7942 8.9371 117.4477 58.4395 41.2598 173.8473 24 D 4.9769 7.9815 118.9575 53.0188 40.8342 175.0970 25 Y 4.5838 8.3139 122.2449 57.8159 39.2137 176.5138 26 W 4.6852 8.4898 124.7435 60.1626 27.8094 177.9801 27 R 3.4644 5.8400 117.1887 58.2846 29.8591 176.5481 28 H 5.0830 8.0323 115.0990 56.0658 28.8964 174.4800 29 C 3.0457 8.4499 118.1401 57.3084 42.2101 174.7111 30 S 4.8281 8.5664 112.4487 56.5987 63.2098 173.9908 31 I 3.2412 7.3586 119.0218 60.3111 39.0370 174.4194 32 D 4.8379 8.6505 127.5699 53.3882 43.9081 172.4874 33 G 4.2388 7.9700 114.9122 44.3944 0.0000 175.3745 34 N 6.0141 9.6163 121.7874 50.1158 42.6122 173.4826 35 I 4.1854 8.1490 122.6895 61.1986 38.0943 178.1527 36 C 4.3473 8.4188 121.5228 59.5894 38.7472 175.5837 37 D 4.0885 8.0863 118.9086 56.8621 40.9386 177.6419 38 C 4.8444 7.9274 115.0583 56.8342 40.1231 174.2832 39 S 4.5056 7.7780 114.2924 57.8947 62.4393 175.0137 40 G 4.0512 8.8421 110.1956 46.2274 0.0000 174.4972 41 G 4.3713 7.4583 114.1220 45.1103 0.0000 172.5057 42 S 4.7481 8.4286 117.3524 57.7046 66.0666 175.0937 43 L 4.2380 8.5260 121.1222 57.6981 41.8122 177.8851 44 T 4.6139 7.4066 104.1179 60.7330 70.0717 173.0732 45 N 5.0819 8.1236 119.6431 51.7033 41.9253 173.1369 46 C 4.8104 8.3347 117.3577 55.3247 36.4677 172.2701 47 P 4.6679 0.0000 0.0000 60.9379 31.6607 174.4415 48 P 4.2105 0.0000 0.0000 64.6015 31.6580 176.1554 49 G 4.0862 8.9840 110.2006 45.3822 0.0000 173.6800 50 T 4.3245 6.7627 108.8167 60.8052 70.7539 174.3721 51 K 4.5614 8.9404 121.5647 54.2941 34.8603 175.7046 52 L 4.4789 8.4863 127.6030 54.7641 43.0437 176.2223 53 A 4.7848 8.5469 128.6272 52.2811 19.0330 177.0102 54 T 4.3225 8.8815 109.0084 63.3497 70.7488 175.5708 55 A 4.7052 8.1706 124.1037 51.4814 20.3601 177.1022 56 S 4.8891 7.1079 114.4017 59.1112 66.0088 177.0409 *58 V 4.6215 8.6525 113.1360 61.6976 32.7416 174.2030 59 A 4.9388 8.1273 121.3250 51.1099 22.7081 175.3316 60 S 5.1901 8.8099 114.8723 57.0127 64.8616 174.0421 61 C 5.3112 9.2379 122.6826 54.9250 41.8428 172.7665 62 Y 4.7272 8.9732 124.4086 57.7001 39.9498 173.8614 63 N 3.1400 9.3686 126.9671 50.5780 38.2016 173.3402 64 P 3.9223 0.0000 0.0000 65.5160 31.5484 178.4632 65 T 3.9058 7.9144 115.9740 65.8073 68.3447 175.0533 66 D 4.6092 7.7002 116.8462 52.2671 39.8337 177.0458 67 G 4.5019 7.8475 107.2416 46.2547 0.0000 173.6572 68 Q 4.5819 8.1010 119.3996 54.5565 31.7413 174.4478 69 S 5.3830 8.1681 115.2206 57.2431 66.2134 173.2313 70 Y 5.1788 9.2307 120.8624 56.0791 42.5684 174.4020 71 L 4.8710 9.9466 124.2864 54.2262 43.5830 175.2572 72 I 4.4829 9.2377 129.0538 60.0048 38.8800 174.9418 73 A 4.5367 7.8605 129.9435 50.4579 19.7440 176.3807 74 Y 4.7008 8.1051 119.9823 58.0486 38.1206 174.4279 75 R 4.9399 8.4030 123.1890 54.8047 32.7903 175.2264 76 D 5.3183 8.4425 122.7703 53.6998 43.1252 174.6754 77 C 5.1960 9.0425 120.0820 55.9848 40.6708 172.3821 78 C 5.1022 9.7756 120.9819 54.8469 44.9557 174.4068 79 G 4.4544 10.1675 105.8221 45.6175 0.0000 172.9277 80 Y 4.7256 7.4027 114.2979 56.1588 41.9930 174.3014 81 N 4.6648 8.4077 120.1239 52.4979 39.9148 175.0579 82 V 3.8036 8.6215 121.1542 61.2467 31.6038 176.5549 83 S 4.1292 8.1074 118.6485 59.7680 62.8360 175.8926 84 G 3.9628 7.7888 107.1025 45.1313 0.0000 173.1164 85 R 4.5303 7.6166 118.2891 55.6376 32.5339 175.3949 86 C 4.2439 8.4737 116.5466 57.3979 37.1851 169.8296 87 P 5.3509 0.0000 0.0000 61.9531 33.2473 176.8573 88 C 5.0178 9.3693 118.5195 55.9908 45.4739 173.4687 89 L 4.8632 8.3880 122.5526 54.5950 42.6033 173.4292 90 N 5.0734 9.4552 123.6553 50.5241 41.5249 174.8543 91 T 4.5130 7.6502 111.3682 61.0311 68.0658 175.6172 92 E 3.8010 8.1972 121.2771 57.4925 29.4543 178.3349 93 G 3.7233 8.5750 113.7047 45.9996 0.0000 171.0935 94 E 4.4414 8.1242 120.2656 55.5015 30.3609 175.8881 95 L 4.6485 8.1262 126.1396 52.2859 44.5793 174.0898 96 P 4.4887 0.0000 0.0000 62.1111 32.0989 178.3416 97 V 3.6547 8.3319 120.3397 64.6945 31.2188 176.5328 98 Y 4.6236 7.2197 116.8872 57.1898 38.6037 176.0029 99 R 4.7968 7.7329 118.6491 54.1219 31.2023 173.9756 100 P 4.4273 0.0000 0.0000 66.1010 31.6315 178.6143 101 E 2.9911 8.1933 118.0917 58.2195 29.5674 177.1838 102 F 4.9146 8.6258 115.2107 56.7791 40.3626 173.4753 103 A 5.0627 9.0489 125.7252 50.9145 19.8842 177.4921 104 N 4.9889 9.0421 119.5708 52.8220 37.6345 175.3130 105 D 4.6701 7.8632 117.6413 54.9833 41.7860 176.8135 106 I 3.5871 7.0997 119.8386 60.5419 37.7390 175.7861 107 I 3.8327 7.4231 124.6287 60.0586 36.6816 176.8563 108 W 5.0800 8.2176 130.7630 56.6618 28.4994 177.3487 109 C 4.4378 7.4918 114.9818 56.8247 42.4761 174.5229 110 F 4.4786 7.7919 119.4540 59.6261 38.7857 176.1487 111 G 4.5569 9.4740 113.0082 46.4122 0.0000 173.7107 112 A 4.7077 7.9491 122.5725 51.3528 19.0907 177.0676 113 E 3.9757 8.7190 120.6339 57.0173 30.0527 176.8399 114 D 4.2100 9.6181 115.6005 55.1072 38.7722 174.0280 115 D 4.5283 7.9424 115.8688 54.8465 38.5810 173.9784 116 A 4.1008 7.8960 122.7165 53.0892 18.4894 178.2902 117 M 4.7091 8.4982 120.0792 54.7149 34.5666 175.2156 118 T 4.4490 7.6511 110.2050 60.8984 71.1195 172.9698 119 Y 4.4948 8.5267 125.4010 57.4986 39.8771 173.4967 120 H 4.7194 8.0622 125.5888 57.0730 32.0612 171.6213 121 C 4.7998 6.9313 109.5890 54.8215 43.6796 171.5727 122 T 5.3543 8.6675 114.8324 61.8909 72.1315 174.3991 123 I 4.4248 8.7039 119.5852 59.4150 40.2504 175.2485 124 S 5.0133 8.4315 116.6368 56.8234 61.8964 172.8217 125 P 4.5015 0.0000 0.0000 62.6005 33.4430 177.1407 126 I 4.2965 8.1839 122.5801 60.9536 37.6865 176.0415 127 V 4.2613 10.2648 125.5017 60.7523 32.3060 175.7995 128 G 4.3821 7.8055 112.9173 44.3827 0.0000 171.9213 129 K 3.8618 7.9943 121.4258 55.8992 33.0130 176.8076 130 A 5.1795 8.0760 123.9505 51.4205 19.2624 176.0792 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 7 V 8.05 3.92 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 0.87 0.00 0.00 0.94 0.00 0.00 8 D 8.61 4.12 0.00 3.01 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 9 P 0.00 4.44 0.00 2.24 2.19 0.00 3.81 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 2.00 2.00 0.00 10 R 7.99 4.44 0.00 1.87 1.99 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 A 7.58 4.49 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.40 4.11 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.66 7.81 13 W 8.77 4.49 0.00 3.52 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 14 Q 6.88 4.21 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 15 P 0.00 4.14 0.00 2.30 2.26 0.00 3.57 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 16 Q 8.70 4.73 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 17 D 8.40 5.40 0.00 2.67 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 18 N 10.52 4.98 0.00 2.83 2.89 0.00 0.00 6.50 7.94 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 19 D 8.12 4.38 0.00 2.65 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 20 I 8.00 2.94 1.40 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.26 0.00 0.00 21 Q 8.10 4.37 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 22 A 7.46 4.83 1.39 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 0.00 0.00 23 C 8.94 4.79 0.00 3.11 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 D 7.98 4.98 0.00 2.59 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 25 Y 8.31 4.58 0.00 3.33 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 26 W 8.49 4.69 0.00 3.63 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 27 R 5.84 3.46 0.00 1.39 1.65 0.00 3.00 0.00 0.00 2.92 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.03 5.08 0.00 3.48 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.45 3.05 0.00 2.25 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.83 0.00 3.87 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 31 I 7.36 3.24 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.86 0.00 0.00 32 D 8.65 4.84 0.00 2.50 2.41 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 33 G 7.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.62 6.01 0.00 2.70 2.74 0.00 0.00 6.97 6.99 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 35 I 8.15 4.19 1.83 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 1.18 0.90 0.95 0.00 0.00 36 C 8.42 4.35 0.00 3.19 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 37 D 8.09 4.09 0.00 2.70 2.62 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 0.00 0.00 0.00 0.00 38 C 7.93 4.84 0.00 3.10 3.07 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 39 S 7.78 4.51 0.00 3.94 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 40 G 8.84 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 41 G 7.46 4.37 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 0.00 42 S 8.43 4.75 0.00 3.96 3.94 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 43 L 8.53 4.24 0.00 1.67 1.67 0.91 0.57 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 44 T 7.41 4.61 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 1.19 0.00 0.00 45 N 8.12 5.08 0.00 2.72 2.68 0.00 0.00 6.93 7.71 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 46 C 8.33 4.81 0.00 2.90 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 47 P 0.00 4.67 0.00 1.90 1.98 0.00 4.05 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 48 P 0.00 4.21 0.00 2.03 1.98 0.00 3.92 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 2.01 1.96 0.00 49 G 8.98 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 0.00 0.00 0.00 50 T 6.76 4.32 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 0.34 0.00 0.00 51 K 8.94 4.56 0.00 1.77 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.68 7.81 52 L 8.49 4.48 0.00 1.73 1.55 0.92 1.34 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 53 A 8.55 4.78 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 T 8.88 4.32 4.27 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 1.24 0.00 0.00 55 A 8.17 4.71 1.59 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 56 S 7.11 4.89 0.00 3.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.62 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 0.65 0.00 0.00 0.70 0.00 0.00 59 A 8.13 4.94 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 60 S 8.81 5.19 0.00 4.18 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 61 C 9.24 5.31 0.00 3.23 3.50 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 62 Y 8.97 4.73 0.00 3.26 3.10 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 0.00 0.00 0.00 63 N 9.37 3.14 0.00 1.44 2.34 0.00 0.00 6.51 7.59 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 64 P 0.00 3.92 0.00 2.11 2.17 0.00 2.81 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 65 T 7.91 3.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 66 D 7.70 4.61 0.00 2.70 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 67 G 7.85 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 68 Q 8.10 4.58 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 69 S 8.17 5.38 0.00 3.75 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 70 Y 9.23 5.18 0.00 3.08 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 71 L 9.95 4.87 0.00 1.88 1.65 0.90 1.31 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 72 I 9.24 4.48 1.27 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.50 0.00 0.00 73 A 7.86 4.54 1.09 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 74 Y 8.11 4.70 0.00 3.00 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 75 R 8.40 4.94 0.00 1.80 1.88 0.00 3.30 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 76 D 8.44 5.32 0.00 2.80 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 77 C 9.04 5.20 0.00 2.75 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 78 C 9.78 5.10 0.00 2.77 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 79 G 10.17 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 0.00 0.00 0.00 0.00 80 Y 7.40 4.73 0.00 2.58 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 81 N 8.41 4.66 0.00 2.66 2.71 0.00 0.00 6.99 7.71 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 82 V 8.62 3.80 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 0.87 0.00 0.00 1.08 0.00 0.00 83 S 8.11 4.13 0.00 3.89 3.71 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 84 G 7.79 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 0.00 0.00 0.00 85 R 7.62 4.53 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 86 C 8.47 4.24 0.00 3.09 3.07 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 87 P 0.00 5.35 0.00 2.08 2.05 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 1.95 2.00 0.00 88 C 9.37 5.02 0.00 2.77 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.39 4.86 0.00 1.57 1.51 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.46 5.07 0.00 2.44 2.25 0.00 0.00 6.36 7.01 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 91 T 7.65 4.51 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 92 E 8.20 3.80 0.00 1.67 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 1.67 1.47 0.00 93 G 8.58 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 0.00 0.00 0.00 94 E 8.12 4.44 0.00 1.98 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 2.58 2.29 0.00 95 L 8.13 4.65 0.00 1.60 1.49 0.65 0.97 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 96 P 0.00 4.49 0.00 1.19 1.82 0.00 3.38 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 97 V 8.33 3.65 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 0.81 0.00 0.00 0.94 0.00 0.00 98 Y 7.22 4.62 0.00 3.17 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 99 R 7.73 4.80 0.00 1.89 1.99 0.00 3.47 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 100 P 0.00 4.43 0.00 2.56 2.67 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 101 E 8.19 2.99 0.00 1.64 1.19 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 1.72 1.99 0.00 102 F 8.63 4.91 0.00 3.09 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 0.00 103 A 9.05 5.06 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 0.00 104 N 9.04 4.99 0.00 2.79 2.94 0.00 0.00 6.99 7.93 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 0.00 105 D 7.86 4.67 0.00 2.60 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 0.00 106 I 7.10 3.59 0.80 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 1.17 0.29 -0.35 0.00 0.00 107 I 7.42 3.83 1.61 0.00 0.00 0.61 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 0.65 0.90 0.00 0.00 108 W 8.22 5.08 0.00 3.48 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 0.00 109 C 7.49 4.44 0.00 2.81 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 0.00 110 F 7.79 4.48 0.00 3.23 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 0.00 111 G 9.47 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 0.00 0.00 0.00 0.00 112 A 7.95 4.71 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 0.00 113 E 8.72 3.98 0.00 2.05 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 2.42 2.36 0.00 114 D 9.62 4.21 0.00 2.80 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 0.00 115 D 7.94 4.53 0.00 2.84 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 0.00 116 A 7.90 4.10 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 0.00 117 M 8.50 4.71 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 118 T 7.65 4.45 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 1.22 0.00 0.00 119 Y 8.53 4.49 0.00 3.14 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 0.00 120 H 8.06 4.72 0.00 3.10 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.93 4.80 0.00 3.05 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 0.00 122 T 8.67 5.35 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 123 I 8.70 4.42 1.99 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 1.37 0.94 0.92 0.00 0.00 124 S 8.43 5.01 0.00 3.78 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 0.00 125 P 0.00 4.50 0.00 2.07 2.14 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 126 I 8.18 4.30 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 1.08 0.00 0.00 127 V 10.26 4.26 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 0.68 0.00 0.00 0.89 0.00 0.00 128 G 7.81 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 0.00 0.00 0.00 0.00 129 K 7.99 3.86 0.00 1.63 1.60 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.09 0.67 7.81 130 A 8.08 5.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.