NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.4502 8.4293 120.2286 56.8089 29.9192 174.8274 20 T 4.3469 8.1141 112.8436 59.9343 70.4282 174.5448 21 K 3.8404 8.9721 124.6065 59.3501 33.9172 177.1772 22 Y 3.9888 7.6168 116.8775 58.1942 38.8688 176.7078 *34 D 4.6538 7.9634 120.3483 54.3235 43.8790 177.2779 35 V 3.6588 7.7183 118.5717 65.5688 32.0058 177.1535 36 E 4.2333 8.0661 116.3601 57.7149 30.4186 177.7009 37 E 4.1283 7.9687 120.0639 58.4931 29.7630 177.8441 38 F 4.3792 8.2507 121.1678 61.2057 39.5171 177.3874 39 V 3.4584 7.8424 117.8509 65.9810 31.0341 177.9903 40 S 4.1109 7.7293 112.0674 61.0556 62.5961 175.4619 41 E 4.0921 7.9208 121.8112 59.0954 29.3494 178.6349 42 L 4.0184 8.2610 119.3871 58.0752 41.3093 179.3274 43 C 4.2143 8.2708 116.4172 62.5151 27.7173 176.3223 44 K 4.1854 7.8056 119.6871 59.1993 32.0083 179.2723 45 G 3.7596 8.0270 105.7211 47.4150 0.0000 175.2213 46 F 3.3549 8.5004 123.3388 61.3512 39.1623 177.5978 47 S 4.1242 7.7030 112.4861 61.0701 62.5655 176.3075 48 L 4.0196 7.3971 122.6844 57.9400 42.0354 177.8352 49 L 4.0702 7.4160 115.3241 55.5462 42.2715 177.0620 50 A 3.8128 7.0935 121.9306 51.3276 18.9590 176.7491 51 D 4.3528 8.8031 122.0112 53.1454 41.1327 175.5811 52 P 4.4450 0.0000 0.0000 65.0058 31.4162 176.6532 53 E 4.1992 8.5815 119.3428 57.8807 30.3152 177.1812 54 R 4.0341 8.1071 115.5974 57.0891 30.4822 176.1907 55 H 4.2567 8.4434 113.7897 56.5277 26.9374 174.2523 56 L 5.1071 7.3878 116.3370 53.1804 46.7864 175.6005 57 I 4.3091 8.7109 123.3515 60.8348 38.3342 175.7122 58 T 4.7076 8.1703 117.2949 59.7883 71.7975 175.6921 59 A 3.9497 8.6048 122.2503 55.6407 18.3207 179.7036 60 E 4.0015 8.1058 116.6633 59.1346 29.5212 179.6266 61 S 4.0617 7.9862 114.5217 61.1432 63.1432 176.1377 62 L 3.8470 8.0951 124.4509 57.8969 41.5660 179.0541 63 R 3.8741 7.7639 117.3794 59.2434 30.2781 178.2726 64 R 3.9922 8.1259 118.5875 59.6226 30.0634 178.0403 65 N 4.4727 8.5446 115.6397 54.8305 38.5690 177.3969 66 S 4.2278 7.9442 117.0756 61.2586 63.1133 176.5208 67 G 4.0319 7.7593 108.6004 47.7131 0.0000 174.9710 68 I 4.0595 7.2716 113.6826 62.4995 38.0788 176.5656 69 L 4.1625 7.8116 119.4740 55.3125 41.8175 177.5866 70 G 3.9282 7.9847 107.0318 45.1207 0.0000 173.2471 71 I 4.1776 7.5066 121.2057 60.0540 37.9632 174.8662 72 E 4.9444 8.3997 123.8771 55.1661 32.7133 175.4646 73 G 3.8579 8.6219 105.3493 46.7598 0.0000 173.1716 74 M 4.2108 8.0606 119.6513 54.4715 32.8485 176.7418 75 S 4.5985 9.5110 122.1662 57.4174 66.0499 175.4213 76 K 3.9782 8.4061 121.1381 59.4518 31.7397 179.3908 77 E 4.0960 8.1138 118.4224 58.8106 29.4337 178.8576 78 D 4.2487 7.9728 119.0640 57.2286 41.0373 178.1507 79 A 3.9964 8.0999 121.3635 55.5865 18.3661 179.6025 80 Q 4.0664 8.2303 116.3119 59.0860 28.7161 179.5055 81 G 3.6189 8.0124 106.5826 48.2517 0.0000 175.7321 82 M 4.1688 8.7571 121.6967 57.7719 31.8472 179.1021 83 V 3.5436 7.8321 118.6962 65.8509 31.5359 178.2247 84 R 3.9363 7.8400 116.9268 59.1391 29.9531 178.0255 85 E 4.1872 7.8496 118.0611 59.0751 29.7264 178.4877 86 G 4.1082 7.3384 101.4284 43.5318 0.0000 173.0042 87 D 4.5247 7.6172 121.8854 54.2456 41.4981 174.5314 88 L 4.5641 9.5946 126.5405 56.5816 43.2366 178.0403 89 D 4.3810 8.3283 115.7694 54.0926 39.8062 175.7357 90 G 3.7863 7.8006 108.2396 47.1060 0.0000 173.7655 91 D 4.6686 8.4271 115.4902 52.6262 40.2297 177.2638 92 G 3.8401 10.8995 108.1257 45.5056 0.0000 172.6038 93 A 4.7673 8.0876 119.4941 50.7816 23.1252 176.1554 94 L 5.0973 9.0294 119.4325 53.1774 44.6736 177.1307 95 N 5.1031 9.6738 122.3863 51.6960 39.7440 176.0071 96 Q 3.2091 8.3023 118.6293 59.1980 28.8097 178.1953 97 T 4.6342 7.6012 117.5805 66.5098 68.6451 176.3618 98 E 4.0362 8.2092 119.9382 59.2310 29.4196 179.1167 99 F 4.2641 8.3156 120.6764 61.5944 39.4752 177.1024 100 C 3.8934 8.0689 116.1184 62.6571 27.7866 176.1312 101 V 3.5611 7.8793 119.9127 65.8652 30.9429 177.8001 102 L 3.8993 7.8640 119.9576 58.5889 42.0812 178.9050 103 M 3.9291 7.8947 118.6805 58.3079 31.5752 179.0329 104 V 4.0166 7.9486 118.1637 65.6739 31.7229 177.7285 105 R 4.0738 7.4884 118.0914 58.9838 30.1760 177.9071 106 L 4.2066 8.2100 119.0047 56.9258 41.7857 178.7940 107 S 4.1301 8.5589 114.2243 60.9777 62.0981 174.6850 108 P 4.1691 0.0000 0.0000 66.2430 30.9444 177.5687 109 E 4.6109 8.1604 118.3596 58.5850 29.8208 178.3788 110 M 4.1138 8.5197 117.8800 59.2336 32.2584 178.3015 111 M 4.1943 8.1943 118.2276 58.4344 32.4992 177.7304 112 E 4.0962 9.0309 118.1276 58.4727 29.6721 178.8288 113 D 4.2784 7.7270 119.5117 57.3491 40.8387 177.4671 114 A 4.1602 7.8815 119.7548 52.1993 18.2338 178.5758 115 E 4.2017 8.0204 118.7852 59.2526 29.9590 177.9083 116 T 4.0399 7.3091 113.1862 63.3163 67.3989 175.0071 117 W 4.4245 7.5895 119.0361 58.3085 29.0109 177.0027 118 L 4.4421 7.5225 120.0367 57.1072 41.7452 178.4572 119 E 3.9395 7.9586 118.4713 59.3149 29.5157 179.3019 120 K 3.8709 7.9635 117.3338 59.8219 32.4443 179.2405 121 A 4.8259 8.1198 121.3467 54.6785 18.0088 178.7808 122 L 3.9002 7.8126 118.7952 58.7725 42.3242 178.6409 123 T 4.0687 8.0301 111.9206 63.4781 67.6627 175.8980 124 Q 4.0737 7.9627 121.5488 59.9363 29.0385 175.5283 125 E 4.1373 7.8583 122.1615 56.9066 29.5987 177.0430 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 19 E 8.43 4.45 0.00 2.00 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 0.00 2.23 2.26 0.00 20 T 8.11 4.35 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 1.18 0.00 0.00 21 K 8.97 3.84 0.00 1.65 1.67 0.00 1.64 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.11 1.32 7.81 22 Y 7.62 3.99 0.00 3.04 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 *34 D 7.96 4.65 0.00 2.77 2.68 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 35 V 7.72 3.66 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 0.94 0.00 0.00 0.91 0.00 0.00 36 E 8.07 4.23 0.00 2.20 2.17 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 2.34 2.30 0.00 37 E 7.97 4.13 0.00 2.09 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 0.00 2.41 2.39 0.00 38 F 8.25 4.38 0.00 3.21 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 39 V 7.84 3.46 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 0.89 0.00 0.00 0.93 0.00 0.00 40 S 7.73 4.11 0.00 4.08 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 41 E 7.92 4.09 0.00 2.11 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 2.27 2.36 0.00 42 L 8.26 4.02 0.00 1.66 1.65 0.37 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.27 4.21 0.00 3.04 2.96 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 44 K 7.81 4.19 0.00 2.03 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 45 G 8.03 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 0.00 0.00 0.00 0.00 46 F 8.50 3.35 0.00 3.05 3.17 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 47 S 7.70 4.12 0.00 4.04 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 48 L 7.40 4.02 0.00 1.74 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.42 4.07 0.00 1.28 1.49 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.09 3.81 0.68 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 51 D 8.80 4.35 0.00 2.57 2.61 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 52 P 0.00 4.45 0.00 2.17 2.14 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 53 E 8.58 4.20 0.00 1.85 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 0.00 2.21 2.21 0.00 54 R 8.11 4.03 0.00 1.80 1.97 0.00 3.57 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 55 H 8.44 4.26 0.00 3.33 3.47 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.39 5.11 0.00 1.54 1.62 0.96 0.99 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 57 I 8.71 4.31 1.76 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.79 0.00 0.00 58 T 8.17 4.71 4.22 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 1.18 0.00 0.00 59 A 8.60 3.95 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 60 E 8.11 4.00 0.00 2.00 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 0.00 2.38 2.35 0.00 61 S 7.99 4.06 0.00 3.99 4.04 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 62 L 8.10 3.85 0.00 1.77 1.96 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.76 3.87 0.00 1.91 2.07 0.00 3.48 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 64 R 8.13 3.99 0.00 1.96 2.04 0.00 3.12 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 65 N 8.54 4.47 0.00 2.66 2.85 0.00 0.00 6.88 7.81 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 66 S 7.94 4.23 0.00 3.99 4.30 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 67 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 68 I 7.27 4.06 1.86 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 1.51 0.64 0.97 0.00 0.00 69 L 7.81 4.16 0.00 1.91 1.76 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.98 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 71 I 7.51 4.18 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 0.92 0.00 0.00 72 E 8.40 4.94 0.00 1.91 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 2.19 2.26 0.00 73 G 8.62 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 74 M 8.06 4.21 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 75 S 9.51 4.60 0.00 4.04 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 76 K 8.41 3.98 0.00 1.82 1.90 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.53 7.81 77 E 8.11 4.10 0.00 2.06 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 0.00 2.40 2.46 0.00 78 D 7.97 4.25 0.00 2.92 2.71 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 79 A 8.10 4.00 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 80 Q 8.23 4.07 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 81 G 8.01 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 82 M 8.76 4.17 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 83 V 7.83 3.54 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 1.10 0.00 0.00 1.07 0.00 0.00 84 R 7.84 3.94 0.00 2.00 2.00 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 85 E 7.85 4.19 0.00 2.08 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 0.00 2.35 2.41 0.00 86 G 7.34 4.11 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 0.00 0.00 0.00 87 D 7.62 4.52 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.59 4.56 0.00 1.75 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.33 4.38 0.00 2.78 2.82 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 90 G 7.80 3.79 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 0.00 0.00 0.00 91 D 8.43 4.67 0.00 2.73 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 92 G 10.90 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 0.00 0.00 0.00 93 A 8.09 4.77 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 94 L 9.03 5.10 0.00 1.79 1.77 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.67 5.10 0.00 2.77 3.03 0.00 0.00 6.20 6.97 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 96 Q 8.30 3.21 0.00 1.56 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.95 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 97 T 7.60 4.63 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 1.26 0.00 0.00 98 E 8.21 4.04 0.00 2.12 2.33 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 2.44 2.42 0.00 99 F 8.32 4.26 0.00 3.46 3.34 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 0.00 100 C 8.07 3.89 0.00 3.15 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 0.00 101 V 7.88 3.56 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 1.00 0.00 0.00 1.04 0.00 0.00 102 L 7.86 3.90 0.00 1.90 1.77 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 103 M 7.89 3.93 0.00 1.87 1.66 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 1.89 1.73 0.00 104 V 7.95 4.02 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 0.81 0.00 0.00 1.03 0.00 0.00 105 R 7.49 4.07 0.00 1.89 2.12 0.00 3.31 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 106 L 8.21 4.21 0.00 1.72 1.70 0.92 1.04 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 0.00 107 S 8.56 4.13 0.00 4.10 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 0.00 108 P 0.00 4.17 0.00 2.28 2.25 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 109 E 8.16 4.61 0.00 2.09 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 2.32 2.42 0.00 110 M 8.52 4.11 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 111 M 8.19 4.19 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 112 E 9.03 4.10 0.00 2.13 2.18 0.00 0.00 0.00 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 2.32 0.00 113 D 7.73 4.28 0.00 3.04 2.69 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 0.00 114 A 7.88 4.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.20 0.00 2.22 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 2.51 2.34 0.00 116 T 7.31 4.04 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 0.78 0.00 0.00 117 W 7.59 4.42 0.00 3.29 3.16 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 0.00 118 L 7.52 4.44 0.00 1.74 1.72 0.94 0.93 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 0.00 119 E 7.96 3.94 0.00 2.14 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 2.31 0.00 120 K 7.96 3.87 0.00 1.83 1.96 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 121 A 8.12 4.83 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.90 0.00 1.88 2.02 0.95 0.88 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 0.00 123 T 8.03 4.07 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 1.30 0.00 0.00 124 Q 7.96 4.07 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 125 E 7.86 4.14 0.00 2.04 1.89 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 0.00 2.37 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.