NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4129 8.3349 115.2901 57.8688 64.7832 173.5102 1 L 3.9546 7.7251 122.1366 54.2821 42.7850 175.9377 2 K 4.5548 9.5171 123.5856 56.6926 34.5070 175.6104 3 R 5.3570 9.4815 123.0075 54.5714 33.2040 174.9708 4 I 4.9966 8.9951 123.8589 59.3649 41.3009 173.9550 5 L 4.6925 8.2140 127.9770 53.1866 44.3356 174.8570 6 I 4.7675 8.4995 126.9003 59.4022 39.9997 174.5697 7 V 4.8180 8.5638 127.6258 61.5748 33.5587 174.3003 8 D 4.7051 8.8320 125.9239 53.5627 44.6366 176.0284 9 D 4.7557 8.9295 124.1320 54.4481 40.3085 176.5153 10 D 4.5415 8.7741 120.9254 53.7035 41.0583 176.3584 11 T 3.9674 8.3993 118.7714 64.0686 68.8287 176.2026 12 A 3.9614 8.0898 124.2576 55.2252 18.3425 179.6165 13 I 3.6378 7.8945 117.8453 64.3873 37.1669 178.2671 14 L 3.9529 7.9546 119.8553 57.9495 41.4876 179.2474 15 D 4.2667 8.2082 117.6228 57.4611 41.2630 178.1831 16 S 4.0837 8.2130 113.7415 61.6584 62.3159 176.2576 17 T 3.8521 8.2124 118.7453 66.4310 68.2319 176.3860 18 K 3.8658 8.2711 121.8077 59.7818 32.1387 178.6572 19 Q 4.0404 8.1008 118.0137 59.0864 28.7358 178.9317 20 I 3.7919 7.7993 120.6704 64.4945 37.2000 178.6052 21 L 4.2713 8.2629 119.9427 57.9538 41.4913 179.4508 22 E 4.4228 8.8430 120.3487 58.9116 29.1687 179.1826 23 F 4.2031 8.3428 120.0053 61.1841 39.5196 176.5593 24 E 4.0251 8.0691 117.6692 57.2659 29.4779 177.0840 25 G 3.9320 7.3608 105.6307 45.2309 0.0000 173.4533 26 Y 4.5078 8.1014 118.1041 57.4804 39.6607 174.0867 27 E 4.5879 9.0923 123.4873 55.3785 31.1695 175.1654 28 V 5.0760 8.5236 125.9685 61.2040 34.6932 174.1848 29 E 5.0647 9.2749 125.8281 54.5009 33.1729 174.9158 30 I 5.1215 8.3623 114.8610 59.3853 41.1458 174.5442 31 A 4.9607 8.7332 123.6173 51.0076 22.5751 176.7736 32 A 5.1348 9.6749 123.9934 51.7233 19.9147 176.4878 33 T 4.7797 7.2614 105.8396 58.8215 73.2871 174.6047 34 A 3.9424 8.7864 123.6713 55.3139 18.5137 180.1583 35 G 3.6362 8.8457 104.6790 47.9796 0.0000 175.4649 36 E 4.0495 8.2714 121.7383 58.8791 29.6604 179.0221 37 G 3.6155 8.2105 105.9201 47.8445 0.0000 175.3298 38 L 3.9438 8.3339 123.3910 57.7174 41.9744 178.8311 39 A 4.0175 8.1450 120.7023 55.1811 18.1951 179.8345 40 K 4.1001 8.1463 116.9529 59.7002 31.9450 179.7355 41 I 4.0351 7.9319 119.3573 64.4752 37.0740 178.0313 42 E 4.1654 8.4362 118.8990 58.7624 29.3862 178.1563 43 N 4.8496 7.8092 114.1015 52.4382 40.1458 174.7887 44 E 4.6779 7.9392 119.0128 54.0309 33.3870 175.0150 45 F 4.4141 8.4089 123.9029 57.7589 40.3044 174.8817 46 F 4.5256 7.2821 124.5391 55.5127 42.7258 174.6467 47 N 4.4240 8.7834 122.3189 56.0950 39.1229 175.3389 48 L 4.7489 7.5279 117.8757 53.6987 45.8688 174.0924 49 A 4.8849 8.6815 125.6085 49.9267 22.7189 174.7337 50 L 4.6790 8.5487 121.5304 53.3056 43.8853 175.8731 51 F 5.0217 8.2855 124.1272 56.2507 42.0192 174.2930 *53 I 4.0986 8.3741 117.7823 61.9499 39.3533 176.8139 54 K 4.3290 7.8371 121.4026 55.1670 30.2649 176.2260 55 L 4.5206 7.2824 120.6031 52.6375 43.6977 175.6605 56 P 4.3179 0.0000 0.0000 65.3368 31.3295 177.4200 57 D 4.5234 7.8021 114.1106 53.8556 40.5611 176.5104 *59 E 4.2563 7.8301 119.8120 56.0717 31.9093 176.7677 60 G 3.6149 9.0062 109.5505 47.5463 0.0000 176.3581 61 T 4.0054 7.7089 112.0661 64.7472 68.8300 176.2045 62 E 3.9176 7.7874 121.7311 58.6800 29.6758 178.0481 63 L 3.7095 7.5584 120.1307 58.1098 41.9581 178.6560 64 L 3.9626 7.9474 120.3035 58.1595 42.0770 178.3801 65 E 3.9997 8.3656 119.0414 59.4773 29.5633 178.9887 66 K 3.9791 8.1054 118.1129 59.4990 32.0770 179.2842 67 A 4.0457 8.3518 121.3645 55.3967 18.0606 179.1805 68 H 4.3294 8.5487 116.4981 58.9797 29.9785 177.4845 69 K 4.1106 7.8534 119.6979 59.4143 32.0271 178.9299 70 L 4.2949 7.8959 117.8051 56.7507 41.9882 178.2789 71 R 4.6885 8.3151 117.7026 53.3758 30.7075 173.8206 72 P 4.3637 0.0000 0.0000 65.2729 32.4518 178.1598 73 G 3.8333 7.1723 108.6187 44.4235 0.0000 173.0199 *75 K 4.3497 7.4813 119.1079 56.4360 34.8431 176.4989 76 K 4.5915 9.2145 121.9796 55.0438 35.7706 175.0464 77 I 5.0654 8.0125 128.2679 59.0194 41.1302 174.7299 *79 V 4.0992 8.3364 125.2651 64.1190 31.9430 176.0345 80 T 4.6214 8.5990 122.0660 60.3976 70.5384 173.7050 81 G 3.8559 8.7897 114.5795 45.5589 0.0000 173.2882 82 Y 4.7147 7.9510 116.8994 56.7968 38.7386 176.1308 83 A 4.7082 8.3522 121.4954 52.1943 19.5967 178.1092 84 S 4.7486 9.1516 115.6031 55.5066 67.6919 175.1997 85 L 3.8902 8.5103 123.7046 58.3820 41.7614 178.7146 86 E 3.9580 8.1519 118.7085 59.4468 29.7406 178.2992 87 N 4.6239 8.4449 116.6935 55.1349 37.4881 177.4295 88 S 3.9684 8.2055 117.3915 61.3372 63.2638 176.5044 89 V 3.5204 7.8941 122.2811 65.4472 31.1871 177.7070 90 F 3.9369 8.3585 120.3028 61.4291 39.2519 177.1401 91 S 4.3109 8.5035 114.8210 61.5620 62.5415 176.3411 92 L 3.9360 8.1711 123.0379 58.5584 41.6493 178.9905 93 N 4.2623 8.0522 114.4545 55.6919 38.5120 176.4179 94 A 4.2482 7.6451 119.9037 51.6473 19.0955 177.6273 95 G 3.6840 7.5441 105.0771 44.7296 0.0000 174.5023 96 A 4.1618 7.9691 122.8978 52.4822 18.8389 177.7205 97 D 4.6268 9.1290 120.6982 55.3404 42.0208 176.4902 98 A 4.6275 7.4674 119.8997 51.3759 22.4186 174.1472 99 Y 4.6389 8.3309 120.1486 56.9811 41.9220 172.9657 100 I 4.9938 7.7559 130.2042 60.0032 41.3333 174.4487 *102 K 4.5029 8.6187 122.5401 56.5607 33.2190 174.2833 103 P 4.5353 0.0000 0.0000 62.1266 32.4633 175.8043 104 V 4.4002 8.0201 119.6693 59.7128 33.7955 175.7693 105 N 4.7374 8.3531 120.5813 51.5629 39.9058 174.5390 106 P 4.2407 0.0000 0.0000 65.7108 31.3936 178.9207 107 R 3.9012 7.9725 117.0118 59.6074 30.0145 178.1552 108 D 4.3260 8.6248 118.7669 57.1356 40.7397 178.4053 109 L 3.9185 8.0043 120.7921 58.3458 42.0753 179.1154 110 L 4.0421 8.2134 119.0386 57.8093 41.5340 179.4439 111 E 3.9813 8.5024 118.8453 59.1983 29.4251 179.3026 112 K 3.9589 8.2407 119.7425 59.4734 32.2089 178.9088 113 I 3.6214 7.9400 120.2733 64.2793 37.0528 178.2505 114 K 3.9925 8.2778 120.5312 59.4724 32.0057 178.3294 115 E 3.9333 8.2745 119.4874 59.4148 29.5744 179.0729 116 K 4.0440 8.1609 118.4508 59.3280 32.0780 179.4678 117 L 4.0403 8.3731 119.8491 57.6641 41.4964 179.2036 118 D 4.3669 8.6574 119.2919 57.5344 40.8415 178.5957 119 E 3.9756 8.2801 118.9834 59.4604 29.2143 179.2315 120 Q 4.2659 7.9377 119.8587 58.7264 29.5480 177.9095 121 E 4.1493 8.2204 119.5164 59.5550 29.3223 179.6343 122 K 4.0722 8.0324 117.1567 59.3459 31.8279 179.0005 123 E 4.1411 8.3223 118.8472 57.5495 29.1421 177.2807 124 G 4.0270 7.7639 112.0592 45.5734 0.0000 173.0832 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 S 8.33 4.41 0.00 3.84 3.81 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 1 L 7.73 3.95 0.00 1.77 1.66 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.52 4.55 0.00 2.12 1.93 0.00 1.75 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.64 7.81 3 R 9.48 5.36 0.00 1.76 1.91 0.00 3.13 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 4 I 9.00 5.00 1.76 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.55 0.70 0.00 0.00 5 L 8.21 4.69 0.00 0.27 0.74 0.68 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.50 4.77 1.82 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 1.02 0.76 0.87 0.00 0.00 7 V 8.56 4.82 2.30 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 0.77 0.00 0.00 1.07 0.00 0.00 8 D 8.83 4.71 0.00 2.72 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 0.00 0.00 0.00 0.00 9 D 8.93 4.76 0.00 2.82 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 10 D 8.77 4.54 0.00 2.72 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 11 T 8.40 3.97 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 1.21 0.00 0.00 12 A 8.09 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 13 I 7.89 3.64 2.02 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 1.63 0.83 0.90 0.00 0.00 14 L 7.95 3.95 0.00 1.90 1.73 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.21 4.27 0.00 2.93 2.77 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 16 S 8.21 4.08 0.00 3.92 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 17 T 8.21 3.85 4.25 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 1.18 0.00 0.00 18 K 8.27 3.87 0.00 1.88 2.07 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.54 7.81 19 Q 8.10 4.04 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 20 I 7.80 3.79 2.05 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 1.53 1.07 0.98 0.00 0.00 21 L 8.26 4.27 0.00 1.89 1.86 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.84 4.42 0.00 2.11 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 2.56 2.42 0.00 23 F 8.34 4.20 0.00 3.08 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.07 4.03 0.00 2.19 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 2.44 2.05 0.00 25 G 7.36 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 0.00 0.00 0.00 26 Y 8.10 4.51 0.00 3.15 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 27 E 9.09 4.59 0.00 2.13 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 2.31 0.00 28 V 8.52 5.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 29 E 9.27 5.06 0.00 2.11 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 2.46 2.71 0.00 30 I 8.36 5.12 1.87 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 1.30 0.68 0.92 0.00 0.00 31 A 8.73 4.96 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 32 A 9.67 5.13 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 33 T 7.26 4.78 4.52 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 1.19 0.00 0.00 34 A 8.79 3.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.85 3.64 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 0.00 0.00 0.00 36 E 8.27 4.05 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 37 G 8.21 3.62 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 0.00 0.00 0.00 38 L 8.33 3.94 0.00 1.80 1.80 0.91 0.91 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 39 A 8.15 4.02 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 40 K 8.15 4.10 0.00 2.11 2.17 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.78 7.81 41 I 7.93 4.04 2.08 0.00 0.00 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 1.63 0.64 1.02 0.00 0.00 42 E 8.44 4.17 0.00 2.13 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 2.38 2.50 0.00 43 N 7.81 4.85 0.00 2.76 2.88 0.00 0.00 6.81 7.51 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 44 E 7.94 4.68 0.00 1.68 1.50 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 2.22 2.37 0.00 45 F 8.41 4.41 0.00 2.90 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 46 F 7.28 4.53 0.00 2.82 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 47 N 8.78 4.42 0.00 2.70 3.01 0.00 0.00 6.69 8.50 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 48 L 7.53 4.75 0.00 1.57 1.28 0.81 0.71 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 49 A 8.68 4.88 0.45 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 50 L 8.55 4.68 0.00 1.41 1.45 0.81 0.78 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 51 F 8.29 5.02 0.00 2.83 2.78 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 0.00 0.00 0.00 0.00 *53 I 8.37 4.10 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.91 0.00 0.00 54 K 7.84 4.33 0.00 1.53 1.42 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.24 7.81 55 L 7.28 4.52 0.00 1.56 1.53 0.84 1.15 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 56 P 0.00 4.32 0.00 2.00 2.08 0.00 3.62 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 2.00 2.04 0.00 57 D 7.80 4.52 0.00 2.74 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 *59 E 7.83 4.26 0.00 1.86 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 0.00 2.19 2.19 0.00 60 G 9.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.71 4.01 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 1.26 0.00 0.00 62 E 7.79 3.92 0.00 1.94 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 2.34 2.35 0.00 63 L 7.56 3.71 0.00 1.57 1.39 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.95 3.96 0.00 1.97 2.01 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.37 4.00 0.00 2.48 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 2.38 2.41 0.00 66 K 8.11 3.98 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.68 7.81 67 A 8.35 4.05 1.52 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 0.00 0.00 68 H 8.55 4.33 0.00 3.24 3.54 0.00 5.96 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 69 K 7.85 4.11 0.00 1.95 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.83 1.65 7.81 70 L 7.90 4.29 0.00 1.82 1.78 0.96 0.79 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 71 R 8.32 4.69 0.00 1.80 1.84 0.00 3.38 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 72 P 0.00 4.36 0.00 2.01 2.00 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 73 G 7.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 K 7.48 4.35 0.00 1.65 1.73 0.00 1.62 0.00 0.00 1.93 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.56 7.81 76 K 9.21 4.59 0.00 1.68 1.57 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.35 7.81 77 I 8.01 5.07 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.62 0.84 0.00 0.00 *79 V 8.34 4.10 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 0.67 0.00 0.00 0.83 0.00 0.00 80 T 8.60 4.62 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 81 G 8.79 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 82 Y 7.95 4.71 0.00 2.94 2.93 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 83 A 8.35 4.71 1.45 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 84 S 9.15 4.75 0.00 4.05 3.98 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 0.00 0.00 0.00 85 L 8.51 3.89 0.00 1.77 1.72 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.15 3.96 0.00 2.10 1.95 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 2.39 2.40 0.00 87 N 8.44 4.62 0.00 3.12 3.09 0.00 0.00 6.85 7.21 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 88 S 8.21 3.97 0.00 3.51 3.62 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 89 V 7.89 3.52 2.19 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 0.98 0.00 0.00 0.94 0.00 0.00 90 F 8.36 3.94 0.00 3.36 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 91 S 8.50 4.31 0.00 4.31 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 92 L 8.17 3.94 0.00 1.82 1.80 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.05 4.26 0.00 2.48 2.67 0.00 0.00 7.09 6.89 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 94 A 7.65 4.25 1.17 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 0.00 0.00 0.00 0.00 0.00 95 G 7.54 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 96 A 7.97 4.16 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 97 D 9.13 4.63 0.00 2.72 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 98 A 7.47 4.63 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 99 Y 8.33 4.64 0.00 3.10 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 0.00 100 I 7.76 4.99 1.80 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 1.35 0.60 0.89 0.00 0.00 *102 K 8.62 4.50 0.00 1.59 1.73 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 103 P 0.00 4.54 0.00 2.16 2.01 0.00 3.68 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 1.95 1.92 0.00 104 V 8.02 4.40 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 0.78 0.00 0.00 0.92 0.00 0.00 105 N 8.35 4.74 0.00 3.01 2.97 0.00 0.00 6.26 7.76 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 0.00 106 P 0.00 4.24 0.00 2.19 2.16 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 107 R 7.97 3.90 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 108 D 8.62 4.33 0.00 2.91 2.70 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 0.00 109 L 8.00 3.92 0.00 1.75 1.81 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.21 4.04 0.00 1.90 1.80 1.02 1.43 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 0.00 111 E 8.50 3.98 0.00 2.14 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 2.35 2.58 0.00 112 K 8.24 3.96 0.00 1.86 1.93 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 113 I 7.94 3.62 1.93 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 1.25 0.57 0.61 0.00 0.00 114 K 8.28 3.99 0.00 2.03 2.00 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 115 E 8.27 3.93 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 116 K 8.16 4.04 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.59 7.81 117 L 8.37 4.04 0.00 1.86 1.79 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.66 4.37 0.00 2.87 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 0.00 119 E 8.28 3.98 0.00 2.16 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 2.34 2.49 0.00 120 Q 7.94 4.27 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 121 E 8.22 4.15 0.00 2.28 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 2.37 2.53 0.00 122 K 8.03 4.07 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.77 1.64 7.81 123 E 8.32 4.14 0.00 2.21 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 2.34 2.53 0.00 124 G 7.76 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 * Residues marked with a * may have inaccurate shift predictions.