NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2790 0.0000 0.0000 61.7862 32.5978 174.8573 3 K 3.6901 8.5443 117.5134 55.8800 32.2919 175.8175 4 K 4.1182 9.0406 127.4446 56.8975 33.9765 175.5124 5 V 5.0153 8.2286 124.6512 61.5676 34.4887 174.0438 6 L 4.9523 8.8186 127.0369 53.0745 45.6834 175.1172 7 T 4.9995 7.8030 108.6346 60.7234 72.0310 173.4961 8 G 4.3274 8.5948 109.1603 46.8997 0.0000 172.3781 9 V 4.6536 7.7677 112.2922 60.3113 34.1241 176.1063 10 V 4.3411 8.3993 123.7914 61.5287 32.4317 176.8238 11 V 4.3272 7.9770 125.6493 60.2303 31.6591 176.7146 12 S 4.9128 7.1730 114.8299 58.3898 65.0441 176.2103 13 D 5.0333 8.0295 125.1365 52.7396 40.1508 177.1621 14 K 4.1458 8.1720 118.6637 58.4924 32.1440 176.2372 15 M 4.7052 7.3753 118.2711 53.0873 34.5197 175.5956 16 Q 4.1085 8.5493 120.1521 56.5576 29.2416 176.3531 17 K 4.1264 8.8136 123.3167 57.0832 29.8407 174.7894 18 T 5.1936 7.6274 111.6893 62.6575 72.7438 174.0176 19 V 4.7195 8.7035 116.8203 60.1182 36.6905 174.7512 20 T 4.7739 8.3710 120.8815 62.4082 70.0132 173.8411 21 V 4.5268 8.6045 128.2446 61.1198 33.6744 174.3130 22 L 4.6160 9.1531 131.4915 54.1891 43.4574 175.2389 23 V 4.6502 8.6819 126.2041 61.2152 34.3003 174.5716 24 E 5.3684 8.3594 126.6585 54.9160 32.6265 174.6880 25 R 4.4916 7.9234 114.0011 56.2402 33.0144 173.5674 26 Q 5.3688 9.1806 118.7426 52.8032 32.5943 174.5309 27 F 4.9007 7.6889 116.1619 56.2484 39.9535 171.4424 28 P 4.9778 0.0000 0.0000 62.0811 32.0346 175.6679 29 H 4.4001 9.2569 126.0685 56.3494 30.0724 174.6522 30 P 4.2376 0.0000 0.0000 65.2036 31.5447 176.5032 31 L 4.4285 8.1453 117.2002 55.2893 44.0558 176.1125 32 Y 4.3896 8.0523 113.1176 56.9469 37.8756 175.7173 33 G 4.2046 7.8236 114.7951 47.1120 0.0000 173.4417 34 K 4.3073 7.2655 120.7095 52.5884 34.3106 174.5134 35 V 4.3132 8.3830 127.7185 62.7086 32.2232 174.9768 36 I 4.4737 8.1897 121.2463 58.8337 40.4865 174.2250 37 K 4.9101 8.3723 124.8820 55.0058 34.3673 174.9415 38 R 4.9365 8.7915 125.2743 55.0681 34.1187 173.4520 39 S 5.3777 8.5166 116.6881 56.9035 66.8742 172.7211 40 K 4.6255 8.9918 119.8848 55.3342 35.8242 174.3315 41 K 5.1038 8.5091 125.4265 55.2431 34.0030 175.3574 42 Y 4.5240 8.6826 121.4105 56.0934 41.4195 174.7626 43 L 4.8803 8.6815 123.9658 53.9031 42.9501 175.3143 44 A 5.2265 8.8876 126.8290 50.3066 22.3073 174.9433 45 H 4.6767 9.3276 121.5662 56.1575 31.2747 173.9462 46 D 5.1165 8.6307 125.8350 50.8813 41.3691 174.2839 47 P 4.4736 0.0000 0.0000 63.1208 31.0186 178.0560 48 E 4.5323 8.7883 113.9282 56.4534 34.2022 174.6772 49 E 4.5530 7.8495 117.8757 56.3252 27.4002 175.1744 50 K 4.2160 8.1973 113.3020 56.6082 33.7406 176.0580 51 Y 4.9518 8.3595 117.2033 55.6372 39.6468 174.7866 52 K 4.6138 8.2482 127.4818 55.3374 35.3170 176.1124 53 L 4.9052 7.6624 117.4692 56.1188 42.3689 175.9281 54 G 4.3312 8.9331 110.5419 45.7137 0.0000 173.8644 55 D 4.5315 7.4443 118.1941 54.9208 42.1947 176.2360 56 V 4.6017 8.6793 123.5515 61.5525 33.4379 174.8386 57 V 4.8868 8.9607 120.9603 59.6374 36.3134 174.1177 58 E 5.1020 8.4758 120.3162 54.9618 32.0668 175.7389 59 I 4.9271 8.9979 124.5243 59.4410 40.8906 174.2852 60 I 5.0225 8.2600 124.7495 58.6879 41.1105 174.2423 61 E 2.8470 9.1309 129.7614 57.0729 29.7768 176.1070 62 S 4.7555 7.6619 121.4632 56.0656 67.2704 173.7224 63 R 3.9338 8.4187 121.0390 55.2938 30.3593 174.1142 64 P 4.2409 0.0000 0.0000 63.6957 31.5410 176.0027 65 I 4.2150 9.3163 123.3345 60.1824 38.2728 175.5556 66 S 4.8408 7.5848 114.3887 57.3678 64.0110 176.1703 67 K 3.9277 7.8233 121.1583 57.5242 32.1991 177.8596 68 R 3.9205 8.5035 118.5366 57.2469 29.3536 176.6607 69 K 4.7639 8.2437 116.7237 54.3547 31.7350 176.2285 70 R 4.9018 8.3078 125.9777 55.0564 32.0684 175.1169 71 F 5.1550 8.1850 116.2272 56.5881 43.8832 173.8899 72 R 4.8348 8.5326 122.5353 54.5856 32.7904 175.9107 73 V 3.4555 8.0163 122.5026 63.5286 31.3380 175.0473 74 L 4.2125 9.0204 133.8879 56.1712 41.4406 177.3965 75 R 4.9496 8.4944 110.8950 54.2414 34.3219 175.4155 76 L 4.5253 8.7094 121.9410 55.6152 43.3124 174.7487 77 V 4.1945 8.6622 123.5912 63.0566 33.3632 177.8342 78 E 4.3438 9.3458 119.9745 54.9207 30.6588 175.5370 79 S 4.4985 8.5835 119.2830 58.2725 63.3119 172.1386 80 G 3.8052 9.9636 117.7939 46.8310 0.0000 174.7634 81 R 4.7079 7.9009 128.0518 53.3446 31.7418 176.9973 82 M 4.1587 8.1018 119.0592 57.8837 32.3001 177.9590 83 D 4.4187 8.1274 119.3194 55.9833 39.4806 178.1523 84 L 4.1516 8.1063 120.1979 56.9856 42.1503 178.7422 85 V 3.6589 7.9282 117.6973 66.3781 31.0850 177.8785 86 E 3.9038 8.3545 117.8828 59.5760 29.5785 179.2239 87 K 3.6952 7.4824 117.8776 60.1973 32.1129 177.9730 88 Y 4.2906 8.2444 119.6259 60.1571 38.9411 177.0982 89 L 3.6987 8.6939 119.9740 58.1954 42.0295 179.9650 90 I 3.7217 8.4922 120.3556 64.0834 36.8165 178.4111 91 R 3.7438 7.1887 117.8722 58.5690 29.9569 177.6803 92 R 3.4723 7.1839 116.5852 57.1849 30.5826 177.2766 93 Q 4.0866 7.3823 118.6487 58.9108 29.2809 176.8148 94 N 4.5449 7.7194 116.2634 55.0442 38.3824 176.7149 95 Y 4.4587 7.2135 117.9710 61.2623 37.8191 178.0157 96 E 4.0653 8.3750 117.5204 58.7842 29.4791 177.6135 97 S 4.8231 7.5610 113.8027 58.4026 63.1554 174.9871 98 L 4.7021 8.1387 120.8903 55.0150 44.2968 177.8361 99 S 4.4807 7.8670 111.4943 58.4721 63.6243 173.6629 100 K 4.4598 8.1371 118.9258 56.3989 32.8505 177.0405 *101 R 4.1415 8.0088 121.6900 56.5400 30.0213 177.4149 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 2 P 0.00 4.28 0.00 2.19 2.16 0.00 3.75 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 1.89 2.00 0.00 3 K 8.54 3.69 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 4 K 9.04 4.12 0.00 1.97 1.79 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 V 8.23 5.02 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 0.94 0.00 0.00 1.01 0.00 0.00 6 L 8.82 4.95 0.00 1.15 1.25 0.09 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.80 5.00 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 1.16 0.00 0.00 8 G 8.59 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 0.00 0.00 0.00 0.00 9 V 7.77 4.65 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 0.77 0.00 0.00 0.93 0.00 0.00 10 V 8.40 4.34 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 0.98 0.00 0.00 0.99 0.00 0.00 11 V 7.98 4.33 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 0.58 0.00 0.00 0.37 0.00 0.00 12 S 7.17 4.91 0.00 3.87 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 13 D 8.03 5.03 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 14 K 8.17 4.15 0.00 1.79 1.94 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 15 M 7.38 4.71 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 16 Q 8.55 4.11 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 8.81 4.13 0.00 2.01 1.94 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 T 7.63 5.19 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 1.24 0.00 0.00 19 V 8.70 4.72 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 0.87 0.00 0.00 0.94 0.00 0.00 20 T 8.37 4.77 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 1.13 0.00 0.00 21 V 8.60 4.53 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 0.84 0.00 0.00 0.83 0.00 0.00 22 L 9.15 4.62 0.00 1.47 1.38 0.94 0.56 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 23 V 8.68 4.65 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 0.83 0.00 0.00 0.73 0.00 0.00 24 E 8.36 5.37 0.00 1.87 1.88 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 2.24 2.28 0.00 25 R 7.92 4.49 0.00 1.89 2.02 0.00 2.89 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 26 Q 9.18 5.37 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 27 F 7.69 4.90 0.00 3.15 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 28 P 0.00 4.98 0.00 2.07 2.12 0.00 3.93 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 2.10 1.99 0.00 29 H 9.26 4.40 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.21 2.17 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 31 L 8.15 4.43 0.00 1.39 1.34 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.05 4.39 0.00 2.71 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 33 G 7.82 4.20 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 0.00 0.00 0.00 34 K 7.27 4.31 0.00 1.88 1.68 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 V 8.38 4.31 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 0.79 0.00 0.00 0.93 0.00 0.00 36 I 8.19 4.47 1.64 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 0.56 -0.36 0.85 0.00 0.00 37 K 8.37 4.91 0.00 1.71 1.66 0.00 1.75 0.00 0.00 2.01 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.46 7.81 38 R 8.79 4.94 0.00 2.08 1.86 0.00 3.29 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 39 S 8.52 5.38 0.00 3.90 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 40 K 8.99 4.63 0.00 1.86 1.78 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.88 1.22 7.81 41 K 8.51 5.10 0.00 1.62 1.65 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.46 7.81 42 Y 8.68 4.52 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 43 L 8.68 4.88 0.00 1.80 1.66 0.93 0.86 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 44 A 8.89 5.23 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 45 H 9.33 4.68 0.00 3.24 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.63 5.12 0.00 2.82 2.52 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 47 P 0.00 4.47 0.00 2.23 2.13 0.00 3.80 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 48 E 8.79 4.53 0.00 1.92 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 2.25 2.29 0.00 49 E 7.85 4.55 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 2.30 2.35 0.00 50 K 8.20 4.22 0.00 1.61 1.75 0.00 1.25 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.70 0.27 7.81 51 Y 8.36 4.95 0.00 2.89 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 52 K 8.25 4.61 0.00 1.91 1.99 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.40 7.81 53 L 7.66 4.91 0.00 1.66 1.67 0.95 1.08 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 54 G 8.93 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 0.00 0.00 0.00 0.00 55 D 7.44 4.53 0.00 2.97 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 56 V 8.68 4.60 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 0.96 0.00 0.00 0.98 0.00 0.00 57 V 8.96 4.89 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 0.77 0.00 0.00 0.74 0.00 0.00 58 E 8.48 5.10 0.00 1.82 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 0.00 2.20 2.24 0.00 59 I 9.00 4.93 1.59 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 0.92 0.84 1.07 0.00 0.00 60 I 8.26 5.02 1.90 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 1.10 1.64 0.94 0.00 0.00 61 E 9.13 2.85 0.00 1.94 1.75 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 2.10 1.91 0.00 62 S 7.66 4.76 0.00 3.67 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 63 R 8.42 3.93 0.00 1.73 1.79 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.24 0.00 2.05 2.01 0.00 3.66 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 2.01 2.11 0.00 65 I 9.32 4.21 1.93 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 1.28 0.71 0.75 0.00 0.00 66 S 7.58 4.84 0.00 4.07 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 67 K 7.82 3.93 0.00 1.81 1.73 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.48 7.81 68 R 8.50 3.92 0.00 1.99 2.03 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 69 K 8.24 4.76 0.00 1.77 1.80 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.38 7.81 70 R 8.31 4.90 0.00 1.86 1.71 0.00 3.20 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 71 F 8.18 5.15 0.00 2.99 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 72 R 8.53 4.83 0.00 1.76 1.86 0.00 3.16 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 73 V 8.02 3.46 1.74 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 -0.53 0.00 0.00 0.74 0.00 0.00 74 L 9.02 4.21 0.00 1.73 1.56 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.49 4.95 0.00 1.92 2.00 0.00 3.03 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 76 L 8.71 4.53 0.00 1.87 1.67 1.13 0.88 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 77 V 8.66 4.19 2.26 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 0.86 0.00 0.00 0.96 0.00 0.00 78 E 9.35 4.34 0.00 2.19 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 2.32 2.29 0.00 79 S 8.58 4.50 0.00 3.86 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 80 G 9.96 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 81 R 7.90 4.71 0.00 1.99 1.93 0.00 3.31 0.00 0.00 3.55 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 82 M 8.10 4.16 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.13 4.42 0.00 2.87 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 84 L 8.11 4.15 0.00 1.82 1.76 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.93 3.66 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 1.05 0.00 0.00 0.96 0.00 0.00 86 E 8.35 3.90 0.00 2.18 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 2.69 2.50 0.00 87 K 7.48 3.70 0.00 2.12 1.93 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.66 7.81 88 Y 8.24 4.29 0.00 3.06 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 89 L 8.69 3.70 0.00 1.71 1.68 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.49 3.72 1.84 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 1.50 1.35 0.85 0.00 0.00 91 R 7.19 3.74 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 92 R 7.18 3.47 0.00 1.35 1.67 0.00 3.13 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 93 Q 7.38 4.09 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 94 N 7.72 4.54 0.00 2.56 2.75 0.00 0.00 6.91 6.77 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 95 Y 7.21 4.46 0.00 3.16 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 96 E 8.37 4.07 0.00 1.95 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 2.35 2.45 0.00 97 S 7.56 4.82 0.00 4.05 3.87 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 98 L 8.14 4.70 0.00 1.76 1.69 1.14 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 99 S 7.87 4.48 0.00 3.97 3.92 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 0.00 0.00 0.00 100 K 8.14 4.46 0.00 1.70 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *101 R 8.01 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.