NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4894 8.3049 120.3574 54.8437 33.4292 175.1793 2 K 4.4944 8.5261 122.4038 55.9265 32.9433 174.9602 3 T 5.0089 9.5125 118.3808 61.8274 72.8503 172.3779 4 L 5.0153 9.3339 128.8587 53.9514 44.0799 174.6886 5 M 5.0700 9.2395 126.8494 53.7115 34.5165 175.0369 6 V 4.6101 8.7235 124.1566 61.2884 34.3166 174.4153 7 F 4.9877 9.2953 128.4757 56.2363 39.7157 174.8974 8 D 5.3590 9.6124 125.1521 52.4023 42.4846 175.1638 9 P 4.5237 0.0000 0.0000 62.3431 32.0585 176.0740 10 A 3.9932 8.5917 122.2099 55.1655 18.2116 177.1773 11 M 4.4692 8.0310 110.1891 53.0737 32.7665 175.2364 *23 D 4.4549 8.0691 120.3932 53.3226 41.9124 176.2964 24 Q 3.9576 8.5230 121.1666 59.2774 29.1375 178.4146 25 A 4.0834 8.0595 121.4461 55.2178 18.4342 179.5045 26 L 3.7099 7.7841 116.1414 57.6802 41.7301 179.7449 27 V 3.5742 7.5240 118.1919 66.2686 31.4034 177.8237 28 D 4.4005 8.5678 118.9124 57.3815 40.5761 178.6114 29 F 4.2088 8.3344 121.1577 61.3072 39.4519 177.3666 30 S 3.9033 8.2032 114.8764 61.7384 62.7176 176.7114 31 T 3.8477 7.9103 118.3248 66.8910 68.2599 176.4310 32 D 4.4976 8.3434 120.9539 57.3074 40.7539 178.9326 33 V 3.4250 7.7214 119.1593 65.9036 31.5277 178.0875 34 Q 3.8585 7.8238 117.3327 58.7493 28.3433 178.7916 35 W 4.1859 7.7399 118.1732 59.8405 29.3849 178.3500 36 L 4.1398 8.1322 118.7721 57.7644 41.0713 179.6004 37 K 4.0050 8.3111 118.8310 59.6176 31.7889 179.0107 38 Q 4.1405 7.7776 115.9752 57.4252 28.8093 177.4766 39 S 4.5537 7.6155 114.3656 58.2999 63.5392 174.6072 40 G 4.0050 7.8447 111.2451 45.5503 0.0000 173.9195 41 V 3.7735 7.1925 118.1183 61.5094 32.7692 175.2265 42 Q 4.5362 8.2021 123.5320 54.5915 30.1974 174.6085 43 I 5.1838 8.2685 124.6241 59.4853 40.5482 174.9295 44 E 4.6298 9.3738 126.1264 54.4618 32.9374 175.1863 45 R 4.9480 8.0334 121.3855 54.4400 33.5453 175.3064 46 F 5.0342 8.8901 120.0065 55.9075 43.5429 173.4862 47 N 6.1642 8.8782 119.0197 49.8356 40.5419 175.1931 48 L 3.6540 8.5656 119.0513 57.5432 41.6521 178.7530 49 A 4.1624 8.1881 121.1401 54.3530 18.7568 178.0350 50 Q 4.5553 8.0832 112.1132 56.4212 31.0361 175.7367 51 Q 4.8769 8.5620 117.1774 53.8057 29.8347 175.0108 52 P 4.3648 0.0000 0.0000 66.4510 31.6306 177.8764 53 M 4.2463 8.1756 117.6576 57.9759 31.7742 178.5465 54 S 4.0843 8.1659 115.4831 61.3342 62.7258 175.9724 55 F 4.2036 8.3956 118.0193 58.6659 38.9398 176.8669 56 V 4.1491 7.5261 116.6712 64.6104 32.5345 177.0690 57 Q 4.2234 8.2678 117.0541 56.8291 28.9392 175.7012 58 N 4.5018 7.4341 119.8781 52.2322 39.7020 175.0175 59 E 3.8884 8.8288 126.6617 59.4653 29.7139 178.8520 60 K 3.9525 7.9200 117.9928 59.2439 32.0655 179.4376 61 V 3.3178 7.6743 118.5907 65.6679 31.3557 177.8611 62 K 3.8632 8.0136 119.1613 59.6333 32.0312 178.5380 63 A 3.9830 8.0080 120.9318 54.9770 18.2618 179.4058 64 F 3.9789 8.5029 119.4068 61.5230 39.5514 177.3482 65 I 3.6764 8.1447 119.6908 64.3628 36.6700 178.0151 66 E 3.8565 7.9217 118.7797 59.1368 29.5503 178.5017 67 A 4.0226 7.6925 119.4740 54.9272 18.5844 178.9094 68 S 4.1220 8.1010 111.2308 57.3773 62.8874 175.2204 69 G 3.8836 7.4479 105.9972 45.2365 0.0000 174.1687 70 A 4.0622 8.4452 122.5696 54.9770 18.5014 179.7876 71 E 4.1526 8.1970 114.0125 58.6213 29.2955 177.9771 72 G 3.9613 8.0813 106.9611 45.8213 0.0000 173.8649 73 L 4.4245 7.7298 120.1580 53.9959 42.5383 175.3485 74 P 4.7623 0.0000 0.0000 62.6888 33.1773 174.5257 75 L 4.6466 8.6021 122.8620 53.1219 44.7656 174.8632 76 L 5.2353 8.6101 125.9216 52.9163 44.7072 175.2268 77 L 4.9444 8.9849 124.1204 52.6952 44.8953 175.1308 78 L 4.7243 8.7576 126.6621 53.2310 43.8583 176.0802 79 D 4.5065 9.9194 129.3111 55.4743 38.9703 175.7843 80 G 4.0265 8.3733 104.9428 45.4152 0.0000 173.3804 81 E 4.5358 7.6458 120.0236 54.1768 31.3253 175.7173 82 T 4.2252 8.3643 120.4268 64.0699 68.8502 174.4045 83 V 4.1314 7.8833 118.1917 61.2238 33.9630 175.4638 84 M 4.5266 7.4241 116.3916 54.7694 34.7624 173.1107 85 A 4.6963 8.5755 126.8553 52.4334 22.0431 176.6217 86 G 4.0880 10.4129 112.7232 45.2442 0.0000 172.8988 87 R 4.3871 7.0137 113.6145 55.5282 31.9841 173.5894 88 Y 4.3234 8.0927 116.1072 55.8592 39.2912 174.0927 89 P 4.6639 0.0000 0.0000 62.2220 32.6248 177.0422 90 K 4.2884 9.0221 120.6448 55.9903 33.9668 178.4218 91 R 3.8590 8.5289 120.4399 59.8038 29.9437 178.6647 92 A 3.9063 7.8277 119.8906 54.8243 18.3902 179.4066 93 E 3.5378 7.7208 116.9495 59.2808 29.6926 179.0717 94 L 3.8237 7.4783 118.7495 57.7989 41.6938 179.4138 95 A 4.0952 8.1260 120.6848 55.1630 18.3559 179.6828 96 R 3.8235 7.9189 117.0469 59.4837 29.9906 178.6665 97 W 4.4452 7.7702 117.3434 59.5325 29.1414 177.6198 98 F 4.8147 8.2406 114.3733 56.3455 39.0515 175.8781 99 G 3.9773 7.8366 106.2048 46.6163 0.0000 173.7044 100 I 4.3551 7.8488 120.2767 58.4682 38.7379 174.6497 101 P 4.3587 0.0000 0.0000 62.5288 32.1097 177.1468 102 L 3.9111 8.7672 122.4909 58.1072 41.6058 178.8812 103 D 4.5977 7.9907 114.6648 54.6231 39.4311 176.5888 104 K 4.4637 7.9340 118.6433 56.9437 32.7820 177.0537 105 V 4.4971 7.3056 112.5536 61.0396 32.4515 176.0613 106 G 2.8803 8.1177 105.0357 45.8234 0.0000 174.0430 107 L 4.5950 7.4258 117.1789 52.2400 44.7059 175.7505 108 A 4.7471 7.9833 123.0387 49.3344 22.0768 174.5625 109 P 4.3850 0.0000 0.0000 63.0593 31.4195 176.3967 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 M 8.30 4.49 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 2 K 8.53 4.49 0.00 2.05 1.73 0.00 1.81 0.00 0.00 2.26 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.55 7.81 3 T 9.51 5.01 4.31 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 1.31 0.00 0.00 4 L 9.33 5.02 0.00 2.03 1.92 0.85 1.43 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 5 M 9.24 5.07 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 6 V 8.72 4.61 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 1.31 0.00 0.00 1.25 0.00 0.00 7 F 9.30 4.99 0.00 3.10 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 8 D 9.61 5.36 0.00 2.95 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 9 P 0.00 4.52 0.00 2.25 2.14 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 10 A 8.59 3.99 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 11 M 8.03 4.47 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 *23 D 8.07 4.45 0.00 3.00 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 24 Q 8.52 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 25 A 8.06 4.08 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 26 L 7.78 3.71 0.00 1.89 1.68 0.99 0.68 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 27 V 7.52 3.57 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 1.04 0.00 0.00 1.00 0.00 0.00 28 D 8.57 4.40 0.00 2.90 2.76 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 29 F 8.33 4.21 0.00 2.92 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 30 S 8.20 3.90 0.00 4.01 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 31 T 7.91 3.85 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 1.40 0.00 0.00 32 D 8.34 4.50 0.00 2.74 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 33 V 7.72 3.42 1.85 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 0.94 0.00 0.00 0.11 0.00 0.00 34 Q 7.82 3.86 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 35 W 7.74 4.19 0.00 3.37 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 36 L 8.13 4.14 0.00 1.74 1.56 0.94 0.61 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 37 K 8.31 4.01 0.00 1.74 1.78 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 Q 7.78 4.14 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 39 S 7.62 4.55 0.00 4.05 4.01 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 40 G 7.84 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 41 V 7.19 3.77 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 -0.63 0.00 0.00 0.30 0.00 0.00 42 Q 8.20 4.54 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 43 I 8.27 5.18 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.60 0.99 0.00 0.00 44 E 9.37 4.63 0.00 1.81 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 2.18 2.28 0.00 45 R 8.03 4.95 0.00 1.51 1.96 0.00 3.21 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 46 F 8.89 5.03 0.00 2.60 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 47 N 8.88 6.16 0.00 2.98 3.05 0.00 0.00 6.75 6.67 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 48 L 8.57 3.65 0.00 1.30 1.52 0.69 0.10 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 49 A 8.19 4.16 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 50 Q 8.08 4.56 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.42 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 51 Q 8.56 4.88 0.00 2.55 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 52 P 0.00 4.36 0.00 2.30 2.49 0.00 3.79 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 2.13 2.10 0.00 53 M 8.18 4.25 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 54 S 8.17 4.08 0.00 4.08 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 55 F 8.40 4.20 0.00 3.21 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 56 V 7.53 4.15 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 0.91 0.00 0.00 1.04 0.00 0.00 57 Q 8.27 4.22 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 58 N 7.43 4.50 0.00 2.44 2.26 0.00 0.00 6.68 8.36 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 59 E 8.83 3.89 0.00 2.06 1.87 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 2.34 2.43 0.00 60 K 7.92 3.95 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 V 7.67 3.32 1.64 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 0.61 0.00 0.00 -0.60 0.00 0.00 62 K 8.01 3.86 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 63 A 8.01 3.98 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 64 F 8.50 3.98 0.00 3.11 3.20 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 0.00 0.00 0.00 0.00 65 I 8.14 3.68 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.18 0.93 0.00 0.00 66 E 7.92 3.86 0.00 2.04 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 2.28 2.30 0.00 67 A 7.69 4.02 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 68 S 8.10 4.12 0.00 2.93 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 69 G 7.45 3.88 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 0.00 0.00 0.00 70 A 8.45 4.06 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 71 E 8.20 4.15 0.00 1.95 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 0.00 2.32 2.38 0.00 72 G 8.08 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 73 L 7.73 4.42 0.00 1.78 1.76 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.76 0.00 1.68 1.73 0.00 3.36 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 75 L 8.60 4.65 0.00 0.93 1.31 0.29 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.61 5.24 0.00 1.58 1.48 0.78 0.56 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 77 L 8.98 4.94 0.00 1.60 1.49 0.83 0.41 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 78 L 8.76 4.72 0.00 1.13 1.13 0.46 0.71 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 79 D 9.92 4.51 0.00 2.78 2.65 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 80 G 8.37 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 81 E 7.65 4.54 0.00 2.04 1.73 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 2.17 2.32 0.00 82 T 8.36 4.23 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 1.08 0.00 0.00 83 V 7.88 4.13 1.06 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 0.14 0.00 0.00 -0.39 0.00 0.00 84 M 7.42 4.53 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 85 A 8.58 4.70 1.04 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 0.00 0.00 86 G 10.41 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 87 R 7.01 4.39 0.00 1.89 1.87 0.00 3.05 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 88 Y 8.09 4.32 0.00 2.92 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.66 0.00 1.93 1.90 0.00 3.72 0.00 0.00 3.77 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 90 K 9.02 4.29 0.00 1.70 1.74 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.57 7.81 91 R 8.53 3.86 0.00 1.96 1.82 0.00 2.88 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 92 A 7.83 3.91 1.24 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 93 E 7.72 3.54 0.00 1.75 1.20 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 0.00 2.20 2.23 0.00 94 L 7.48 3.82 0.00 1.92 1.95 1.04 1.52 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 95 A 8.13 4.10 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 96 R 7.92 3.82 0.00 1.84 1.91 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 97 W 7.77 4.45 0.00 3.31 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 F 8.24 4.81 0.00 3.17 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 99 G 7.84 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 0.00 0.00 0.00 100 I 7.85 4.36 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.93 0.00 0.00 101 P 0.00 4.36 0.00 2.30 1.97 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 102 L 8.77 3.91 0.00 1.65 1.79 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.99 4.60 0.00 2.76 2.76 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 0.00 104 K 7.93 4.46 0.00 1.92 1.92 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.40 7.81 105 V 7.31 4.50 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 0.74 0.00 0.00 0.88 0.00 0.00 106 G 8.12 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 0.00 0.00 0.00 107 L 7.43 4.59 0.00 1.57 1.41 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.98 4.75 1.14 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 0.00 0.00 109 P 0.00 4.38 0.00 2.17 2.02 0.00 3.76 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 1.96 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.