NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7119 8.2714 118.2124 52.6225 39.1114 174.2958 12 G 3.4391 8.4731 103.5722 47.1377 0.0000 170.8176 13 V 3.6461 8.0531 120.3311 65.9610 32.0657 175.5810 14 H 4.1255 8.9491 118.3989 59.6175 29.6931 176.5099 15 D 4.3490 7.8055 120.1064 57.5717 40.5938 179.0049 16 F 4.0682 8.0525 120.2185 61.4667 39.4448 177.3264 17 I 3.7394 8.0122 119.3276 64.2750 36.9389 178.2095 18 L 3.9365 7.9500 119.9227 57.8672 41.4351 179.6498 19 V 3.4893 7.6270 117.8111 66.3445 31.6002 178.3684 20 R 3.8468 7.5817 117.4633 58.9590 29.8253 178.8660 21 A 3.9735 8.5143 121.3090 55.4863 18.4461 179.6357 22 T 3.8796 8.0277 107.7368 65.0815 68.5164 176.2171 23 A 4.0151 8.1950 123.4792 54.9132 18.3741 179.7528 24 I 3.6691 7.6283 118.0486 64.4636 37.2401 178.5290 25 V 3.7173 7.8111 119.0572 66.3574 31.2740 178.0155 26 L 4.1251 8.4012 118.8273 58.0741 41.3559 179.6944 27 T 3.9110 8.2124 115.7171 66.7830 68.4548 176.5988 28 L 4.1554 8.1406 120.8167 58.0642 41.6623 179.0584 29 Y 3.0520 8.1574 119.4858 60.3259 38.6009 178.1499 30 I 3.6118 8.0784 120.8940 64.3533 37.1686 178.1412 31 I 3.7130 8.0904 121.1403 64.9343 36.6888 177.7918 32 Y 4.1368 7.9086 119.9518 60.7542 38.5951 177.9619 33 M 3.9483 7.8772 119.6201 58.3454 32.2274 178.7855 34 V 3.7892 8.1991 118.9267 65.8523 31.3799 178.0076 35 G 3.7183 8.0725 104.8433 47.8735 0.0000 175.0777 36 F 4.0752 7.6502 122.9717 60.9342 39.1527 176.9745 37 F 3.6114 7.9247 115.6411 60.3189 38.8589 176.8542 38 A 4.3751 7.9912 117.5369 52.4538 19.9256 177.1043 39 T 4.6267 7.4829 106.7914 60.0803 68.5300 174.3221 40 S 4.4167 7.2226 111.6683 57.2435 66.7362 175.9485 41 G 3.8092 7.6869 109.3707 46.0278 0.0000 176.5678 42 E 3.9169 8.9324 126.8263 56.5520 29.5783 177.7258 43 L 4.3808 8.1288 127.9983 53.5904 40.7195 177.1755 44 T 4.0727 7.4667 115.1967 61.8750 69.8686 172.9697 45 Y 4.2898 8.8914 127.0727 61.2118 38.6383 178.5781 46 E 3.9338 8.2220 119.9394 59.2424 29.8771 179.0280 47 V 3.8564 7.8255 111.7590 63.4952 31.7834 178.2910 48 W 4.3548 8.2328 128.4045 60.6976 30.6878 177.9309 49 I 3.6168 8.0621 118.9086 63.8397 37.0725 178.0934 50 G 3.5841 7.8062 106.0083 47.6182 0.0000 175.1975 51 F 4.0743 8.2329 123.0561 60.7803 39.1924 176.6172 52 F 3.8825 7.6858 113.8686 58.1028 39.0701 176.8239 53 A 4.2540 7.7715 120.0038 52.2028 19.3937 177.6886 54 S 3.9887 6.9996 112.4768 57.9598 63.2347 174.3491 55 A 3.9051 8.9123 129.9770 55.4610 18.0787 179.1173 56 F 3.6875 8.2998 118.3925 61.9822 39.2728 177.4523 57 T 3.8316 7.3800 114.5058 66.4845 68.1449 176.7588 58 K 3.8225 7.8190 120.3460 59.5322 32.0301 179.3911 59 V 3.3593 7.8380 118.5232 65.9675 31.5238 177.5602 60 F 4.1835 7.8838 120.2611 61.8553 38.9335 177.5688 61 T 3.5776 8.0378 115.1405 66.4878 68.3011 176.9316 62 L 3.8887 7.7392 120.9284 57.4260 41.5725 178.9880 63 L 4.0156 8.3195 120.6564 58.5111 41.8784 179.1040 64 A 3.9046 7.9080 120.2673 54.9952 18.0738 179.6429 65 L 3.9424 8.0132 117.8321 57.8702 41.6889 179.6605 66 F 4.1146 8.7059 118.1940 60.6645 38.8239 177.6662 67 S 4.2538 8.3930 114.7849 62.0149 62.6882 177.0127 68 I 3.7502 8.1460 122.4503 64.3273 36.7627 177.7254 69 L 4.0104 8.1900 121.2353 58.5735 41.9472 179.1475 70 I 3.8347 8.2220 119.0186 64.7024 37.2741 177.9776 71 H 4.1039 9.0589 119.1045 59.4970 29.8253 177.2522 72 A 4.1753 8.4097 122.5274 54.6187 18.1235 179.4366 73 W 4.4601 8.3634 127.1636 60.8168 30.7505 178.0055 74 I 3.3450 7.6109 119.3426 64.3008 36.5724 178.2203 75 G 3.8203 7.9845 106.1979 48.5238 0.0000 175.4501 76 M 4.1312 8.5862 121.9303 57.4447 31.9579 178.6714 77 W 3.8048 7.9539 128.5871 60.4422 30.5811 177.8837 78 Q 3.6202 8.0572 116.7078 58.9840 28.5184 178.9092 79 V 3.6955 7.7998 119.0174 66.0653 31.5773 178.1183 80 L 4.0890 8.1192 119.2915 57.5484 41.2247 178.5728 81 T 3.9319 7.1449 106.8138 62.3192 68.8640 175.3728 82 D 4.2499 7.2230 121.5387 55.0182 41.6528 176.7155 83 F 4.7308 7.4577 114.9354 58.9429 40.8894 176.3568 84 V 3.9096 7.5134 123.1334 62.2490 30.0332 175.7850 85 K 4.1072 8.5279 126.2986 58.5113 32.5460 176.7861 86 P 4.3693 0.0000 0.0000 62.2954 32.1639 177.0761 87 L 3.8987 8.7648 124.3595 58.3818 42.1876 178.5303 88 A 3.9707 8.1405 120.0903 55.7479 18.1626 179.1040 89 L 3.9286 7.9132 117.2871 58.2719 42.2028 179.2529 90 R 3.9601 7.8107 118.4997 59.3708 30.0246 178.5343 91 L 4.1669 8.2509 118.9630 57.7940 41.5623 179.4138 92 M 4.0763 8.1078 118.8495 58.4876 31.8965 178.7644 93 L 4.0618 7.9885 119.0992 57.9088 41.7698 179.6620 94 Q 4.2885 8.4005 118.1063 58.7372 28.5933 178.4019 95 L 3.8059 8.1091 121.4316 58.1446 42.0888 179.0040 96 V 3.5432 7.8258 117.9788 66.2116 31.4548 177.9032 97 I 3.6777 8.0897 119.6395 64.3779 36.9093 178.6024 98 V 3.2822 8.1402 119.1432 65.8581 31.3756 177.7865 99 V 3.4199 7.8512 118.1343 66.1386 31.2521 177.3780 100 A 3.7323 8.0447 120.4108 55.5036 18.0030 179.6171 101 L 3.5668 7.5650 116.8608 57.7572 41.6519 180.0762 102 V 3.5034 7.9066 118.4599 65.7794 31.3746 178.2287 103 V 3.6084 8.1187 118.4014 66.3389 31.3321 177.3385 104 Y 4.4237 8.4052 116.8581 61.5144 37.7280 179.1711 105 V 3.6897 7.6169 118.9693 65.7986 31.7419 178.3112 106 I 3.7811 7.8870 119.6501 64.6091 37.0143 177.8206 107 Y 4.3489 9.0372 120.9961 60.5562 38.5916 178.3208 108 G 3.6054 8.1076 106.6193 47.8254 0.0000 175.7955 109 F 3.9547 8.4433 120.1556 59.8874 38.7030 178.1019 110 V 3.5378 7.6984 117.9718 65.9148 31.2137 177.8537 111 V 3.4030 7.0441 116.5564 66.4929 31.3687 178.1644 112 V 3.8667 7.4631 112.0021 64.2504 31.5595 179.0397 *113 W 4.2553 7.7871 121.9059 60.4930 28.0611 181.0782 114 G 4.3455 7.5199 103.6292 44.8326 0.0000 173.9585 115 V 4.0158 7.5251 126.0286 62.7024 31.9695 174.8377 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 11 N 8.27 4.71 0.00 2.96 3.06 0.00 0.00 6.02 6.30 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 12 G 8.47 3.44 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 0.00 13 V 8.05 3.65 2.20 0.00 0.00 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 0.90 0.00 0.00 14 H 8.95 4.13 0.00 3.31 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.81 4.35 0.00 2.99 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 16 F 8.05 4.07 0.00 3.27 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 17 I 8.01 3.74 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 1.68 0.71 0.94 0.00 0.00 18 L 7.95 3.94 0.00 1.82 1.70 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.63 3.49 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 0.90 0.00 0.00 0.82 0.00 0.00 20 R 7.58 3.85 0.00 1.60 1.85 0.00 2.28 0.00 0.00 2.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 21 A 8.51 3.97 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 22 T 8.03 3.88 4.43 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 1.35 0.00 0.00 23 A 8.20 4.02 1.47 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 0.00 0.00 0.00 24 I 7.63 3.67 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 1.43 1.01 0.96 0.00 0.00 25 V 7.81 3.72 2.27 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 1.16 0.00 0.00 1.01 0.00 0.00 26 L 8.40 4.13 0.00 1.79 1.76 0.90 0.69 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 27 T 8.21 3.91 4.44 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 1.26 0.00 0.00 28 L 8.14 4.16 0.00 2.23 2.16 1.03 0.72 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 29 Y 8.16 3.05 0.00 2.70 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 30 I 8.08 3.61 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.92 0.00 0.00 31 I 8.09 3.71 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 1.01 0.00 0.00 32 Y 7.91 4.14 0.00 3.22 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 33 M 7.88 3.95 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 34 V 8.20 3.79 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.89 0.00 0.00 35 G 8.07 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 36 F 7.65 4.08 0.00 2.44 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 37 F 7.92 3.61 0.00 3.30 3.01 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 0.00 0.00 0.00 38 A 7.99 4.38 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 39 T 7.48 4.63 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 1.16 0.00 0.00 40 S 7.22 4.42 0.00 3.60 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 41 G 7.69 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 0.00 0.00 0.00 42 E 8.93 3.92 0.00 1.96 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 2.30 2.27 0.00 43 L 8.13 4.38 0.00 1.56 1.58 0.95 0.90 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 7.47 4.07 4.29 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 1.32 0.00 0.00 45 Y 8.89 4.29 0.00 3.13 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 46 E 8.22 3.93 0.00 2.17 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 2.35 2.42 0.00 47 V 7.83 3.86 2.21 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 0.87 0.00 0.00 1.11 0.00 0.00 48 W 8.23 4.35 0.00 3.53 3.21 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 49 I 8.06 3.62 1.33 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 1.36 1.06 0.77 0.00 0.00 50 G 7.81 3.58 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 0.00 0.00 0.00 51 F 8.23 4.07 0.00 2.75 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 52 F 7.69 3.88 0.00 2.76 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 53 A 7.77 4.25 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 54 S 7.00 3.99 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.91 3.91 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 56 F 8.30 3.69 0.00 3.12 3.01 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 0.00 0.00 0.00 57 T 7.38 3.83 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 0.11 0.00 0.00 58 K 7.82 3.82 0.00 1.85 1.73 0.00 1.59 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.47 7.81 59 V 7.84 3.36 1.77 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 0.79 0.00 0.00 0.83 0.00 0.00 60 F 7.88 4.18 0.00 2.83 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 61 T 8.04 3.58 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 1.31 0.00 0.00 62 L 7.74 3.89 0.00 1.62 1.66 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.32 4.02 0.00 1.75 1.96 0.85 0.67 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 64 A 7.91 3.90 0.56 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 65 L 8.01 3.94 0.00 1.80 1.69 0.96 1.37 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 66 F 8.71 4.11 0.00 3.24 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 67 S 8.39 4.25 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.15 3.75 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.08 0.00 0.00 69 L 8.19 4.01 0.00 1.77 2.02 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.22 3.83 1.98 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 1.53 0.93 0.98 0.00 0.00 71 H 9.06 4.10 0.00 3.31 3.43 0.00 5.78 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 72 A 8.41 4.18 1.54 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 0.00 0.00 0.00 73 W 8.36 4.46 0.00 3.42 3.25 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 74 I 7.61 3.34 1.93 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 1.25 0.47 0.85 0.00 0.00 75 G 7.98 3.82 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 0.00 0.00 0.00 76 M 8.59 4.13 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.97 0.00 77 W 7.95 3.80 0.00 2.06 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 78 Q 8.06 3.62 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 79 V 7.80 3.70 2.21 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 1.17 0.00 0.00 0.99 0.00 0.00 80 L 8.12 4.09 0.00 1.68 1.63 1.05 0.88 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 81 T 7.14 3.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 82 D 7.22 4.25 0.00 2.11 1.54 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 0.00 83 F 7.46 4.73 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.51 3.91 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 0.78 0.00 0.00 0.98 0.00 0.00 85 K 8.53 4.11 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.59 1.39 7.81 86 P 0.00 4.37 0.00 2.19 1.98 0.00 3.61 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 2.12 2.08 0.00 87 L 8.76 3.90 0.00 1.77 1.67 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.14 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.93 0.00 1.78 1.70 0.94 0.82 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 90 R 7.81 3.96 0.00 2.11 2.05 0.00 3.12 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 91 L 8.25 4.17 0.00 1.90 1.75 0.97 0.93 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 92 M 8.11 4.08 0.00 2.06 2.25 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 2.63 2.86 0.00 93 L 7.99 4.06 0.00 1.90 1.78 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.40 4.29 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 3.02 2.74 0.00 95 L 8.11 3.81 0.00 1.85 1.87 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.83 3.54 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 1.05 0.00 0.00 0.97 0.00 0.00 97 I 8.09 3.68 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 1.15 0.00 0.00 98 V 8.14 3.28 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 0.72 0.00 0.00 -0.19 0.00 0.00 99 V 7.85 3.42 2.21 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 0.78 0.00 0.00 0.90 0.00 0.00 100 A 8.04 3.73 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 0.00 101 L 7.57 3.57 0.00 1.75 1.69 1.14 0.84 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 0.00 102 V 7.91 3.50 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 0.92 0.00 0.00 0.85 0.00 0.00 103 V 8.12 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 104 Y 8.41 4.42 0.00 3.24 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 0.00 105 V 7.62 3.69 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.69 0.00 0.00 106 I 7.89 3.78 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.94 0.00 0.00 107 Y 9.04 4.35 0.00 3.12 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 0.00 108 G 8.11 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 0.00 109 F 8.44 3.95 0.00 3.31 3.15 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 0.00 110 V 7.70 3.54 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 0.94 0.00 0.00 1.04 0.00 0.00 111 V 7.04 3.40 1.86 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 0.77 0.00 0.00 0.42 0.00 0.00 112 V 7.46 3.87 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 0.75 0.00 0.00 0.77 0.00 0.00 *113 W 7.79 4.26 0.00 2.59 2.21 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 0.00 114 G 7.52 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 0.00 0.00 0.00 0.00 115 V 7.53 4.02 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 0.79 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.