NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 K 4.2207 8.3149 119.9970 57.0581 33.3073 175.6593 28 Q 4.2871 8.1190 118.8972 53.5049 30.9749 172.7744 29 A 4.1938 7.9262 116.3362 52.0439 22.4500 175.1833 30 Q 4.6591 8.7482 124.3791 54.2290 31.3273 174.8713 31 V 4.2188 7.9982 122.3398 61.1439 34.4555 173.9731 32 D 4.8848 8.3688 126.4747 52.6896 42.6692 175.2373 33 Y 4.7730 8.3791 120.4697 56.0061 40.7618 174.6824 34 L 4.5664 8.4872 124.4447 53.1962 43.9101 175.5276 35 A 4.4136 8.4184 128.5604 50.9267 19.2456 176.8668 36 L 4.2876 8.4209 124.2247 53.5780 42.4652 175.6132 37 P 4.2761 0.0000 0.0000 63.6649 31.9415 176.8699 38 G 3.9740 8.7186 106.5533 45.7363 0.0000 172.8089 39 D 4.8270 8.2436 114.2460 52.6703 39.6665 176.1142 40 A 4.2541 7.7438 120.9074 51.9772 19.3613 177.7269 41 K 4.0956 8.4780 121.1989 56.3533 32.9069 176.0248 42 L 4.6853 8.5042 129.6628 54.2973 43.4534 174.9605 43 D 4.9606 9.1655 125.2308 52.8294 44.0930 174.3125 44 T 5.3252 8.6363 121.6699 62.0650 72.0084 173.5469 45 R 4.6987 8.9828 123.9392 55.3637 34.1150 173.5767 46 S 5.3003 8.7918 122.2338 57.0587 64.8551 173.6396 47 V 4.4650 8.8643 124.1852 61.1919 34.4670 173.7411 48 D 5.2769 8.4962 126.7260 53.3332 42.5984 174.9812 49 Y 4.9240 8.7233 119.5000 56.0618 42.8777 174.3047 50 K 4.8318 8.9792 120.7927 55.4419 35.9305 174.7225 51 C 5.4080 9.0392 124.5254 54.9090 43.0488 174.5595 52 E 3.7634 9.0593 121.2118 58.6033 29.1830 177.0782 53 N 4.7628 8.3239 114.2297 52.5665 37.6376 175.2953 54 G 4.0723 8.2777 109.1534 45.6318 0.0000 174.7681 55 R 4.3137 7.8392 118.4272 56.8426 31.4653 176.1073 56 K 4.9605 8.5696 120.4883 55.5149 35.5193 175.1470 57 F 4.9708 7.9303 117.9450 56.2904 41.9548 172.6324 58 T 5.1510 8.6018 114.4030 61.8946 71.4608 173.9388 59 V 4.3446 9.2025 126.0515 61.0708 34.4922 173.8625 60 Q 4.8470 8.1432 127.7141 54.5994 31.2453 173.5002 61 Y 5.2584 9.0118 124.6567 56.3288 40.8822 174.7100 62 L 5.3149 9.1649 123.2946 53.0721 45.5271 175.1435 63 N 5.4682 9.3913 121.7345 51.3496 41.8841 173.9600 64 K 4.6111 9.3740 126.8230 54.6684 35.0269 176.1628 65 G 3.7934 8.9254 119.6209 47.2158 0.0000 174.9352 66 D 4.5258 8.8840 124.0912 55.3802 41.2294 175.5969 67 N 4.9169 8.0623 118.0566 51.8472 40.1522 173.9512 68 S 5.2004 8.4517 116.1172 57.0478 65.9257 172.5195 69 L 5.6734 9.7302 126.1064 53.0948 46.6066 175.4868 70 A 4.6098 8.7267 121.6802 50.3839 22.4998 175.4438 71 V 4.4570 8.6315 124.3592 62.0215 32.9385 174.9571 72 V 4.2177 8.7485 128.9325 60.1767 34.1623 173.0869 73 P 4.8108 0.0000 0.0000 60.8833 30.2743 176.9013 74 V 3.1726 7.7086 118.0360 62.4173 31.2480 176.1184 75 S 4.4263 6.9521 113.2553 57.7391 66.0148 176.4897 76 D 4.1147 8.9213 119.5289 55.7896 39.0154 176.7166 77 N 4.8863 7.7219 112.6495 51.9192 37.8936 173.6908 78 S 4.5426 7.8289 113.9775 57.2493 65.9443 172.6058 79 T 4.7663 8.5196 123.2731 61.7131 71.5507 172.9428 80 L 4.8108 9.1024 126.2807 52.8031 45.3301 176.0293 81 V 4.4375 8.2101 122.2208 62.0029 32.0624 175.1478 82 F 4.9187 9.6432 128.0839 56.5980 41.0646 174.9060 83 S 5.2699 8.8678 116.8871 56.2158 64.8207 172.8110 84 N 4.7163 9.3313 126.6857 54.0465 39.1102 174.3433 85 V 4.5448 8.5213 118.8221 58.8457 35.4393 175.5036 86 I 3.6317 8.1671 122.6546 61.6516 38.2622 175.0820 87 S 4.4814 7.9508 119.4047 57.4452 65.5590 174.1794 88 A 4.2923 8.7318 123.6167 54.1591 18.7378 177.8837 89 S 4.6400 7.6135 107.3121 57.4659 66.2437 175.1066 90 G 3.8816 8.7629 110.6350 44.8430 0.0000 172.3079 91 A 4.4405 9.1052 121.4700 50.0655 20.9075 175.5899 92 K 4.2672 7.8926 123.3394 55.9040 33.9153 174.9521 93 Y 5.4994 9.3632 124.3624 56.2712 42.1805 174.3577 94 A 5.5515 9.0819 123.0688 50.5254 23.0951 175.0079 95 A 4.1426 9.0075 117.5159 51.2387 23.0671 176.5893 96 G 3.9448 8.8810 111.3436 47.2113 0.0000 174.0251 97 Q 4.3932 8.4861 122.2943 55.6466 28.9687 174.0468 98 Y 5.9811 8.0382 116.5678 56.2588 41.4499 174.6834 99 I 5.3836 8.8298 120.9537 59.5949 41.5304 174.0460 100 W 5.2991 9.9254 135.0000 55.6250 32.7804 174.0961 101 W 5.4625 9.0436 135.0000 55.9702 32.4819 174.3545 102 T 4.8750 9.3357 118.2483 60.2642 71.5417 174.2932 103 K 4.3079 8.9265 125.2414 55.2658 34.3150 176.0662 104 G 3.7657 8.8091 120.5566 46.7747 0.0000 173.5022 105 E 4.5153 8.5950 120.1214 56.6175 30.2723 176.1680 106 E 5.1162 8.0154 119.9180 55.6789 32.2926 174.6165 107 A 4.7510 8.5664 121.4985 51.4640 23.4085 175.5222 108 T 4.8056 7.9702 115.1796 61.7478 73.2687 172.8141 109 L 5.4081 8.6269 128.1708 53.6841 44.4555 174.4939 110 Y 5.1353 9.4269 124.2527 57.1771 40.9474 175.0411 111 G 4.4099 8.9020 108.9232 45.1479 0.0000 173.2107 112 D 4.9671 8.0888 118.3427 53.5405 42.1298 176.2444 *121 G 3.6952 7.7507 108.0897 45.4414 0.0000 172.0357 122 V 3.9184 8.0233 120.7633 62.5019 32.9114 176.4306 123 A 4.8430 8.5877 130.0145 51.5216 20.0235 176.6585 124 C 5.7230 9.4324 120.1273 55.2027 46.1359 173.2578 125 K 5.3015 8.9904 118.5965 55.2144 36.1821 175.4093 126 E 3.8655 8.5365 121.3943 57.4699 30.6674 177.7590 127 R 4.0933 9.1024 122.3537 56.6027 31.3267 175.2005 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 27 K 8.31 4.22 0.00 1.88 1.52 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 28 Q 8.12 4.29 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 29 A 7.93 4.19 1.18 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 0.00 0.00 0.00 0.00 0.00 30 Q 8.75 4.66 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 31 V 8.00 4.22 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 0.04 0.00 0.00 0.85 0.00 0.00 32 D 8.37 4.88 0.00 2.59 2.51 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 0.00 0.00 0.00 0.00 33 Y 8.38 4.77 0.00 2.95 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 34 L 8.49 4.57 0.00 1.60 1.59 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.42 4.41 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 36 L 8.42 4.29 0.00 1.68 1.65 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.28 0.00 2.19 2.07 0.00 3.83 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 2.16 1.98 0.00 38 G 8.72 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.24 4.83 0.00 2.76 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 40 A 7.74 4.25 1.28 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 0.00 0.00 0.00 41 K 8.48 4.10 0.00 1.77 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.52 7.81 42 L 8.50 4.69 0.00 1.70 1.56 1.04 1.17 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 43 D 9.17 4.96 0.00 2.82 2.50 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 0.00 0.00 0.00 44 T 8.64 5.33 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 R 8.98 4.70 0.00 1.94 1.89 0.00 3.12 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 46 S 8.79 5.30 0.00 3.81 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 47 V 8.86 4.46 2.45 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 0.45 0.00 0.00 1.15 0.00 0.00 48 D 8.50 5.28 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.92 0.00 2.02 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 50 K 8.98 4.83 0.00 1.74 1.57 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 51 C 9.04 5.41 0.00 3.20 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 52 E 9.06 3.76 0.00 2.09 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 2.34 2.27 0.00 53 N 8.32 4.76 0.00 2.88 2.92 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.28 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.84 4.31 0.00 2.13 2.16 0.00 3.10 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 56 K 8.57 4.96 0.00 1.67 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.38 7.81 57 F 7.93 4.97 0.00 3.01 3.12 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 0.00 0.00 0.00 58 T 8.60 5.15 4.27 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 1.32 0.00 0.00 59 V 9.20 4.34 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 -0.02 0.00 0.00 0.65 0.00 0.00 60 Q 8.14 4.85 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 61 Y 9.01 5.26 0.00 3.00 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 62 L 9.16 5.31 0.00 1.67 1.60 0.99 0.76 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 63 N 9.39 5.47 0.00 2.68 2.76 0.00 0.00 5.96 8.12 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 64 K 9.37 4.61 0.00 1.79 1.67 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.36 1.56 7.81 65 G 8.93 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 66 D 8.88 4.53 0.00 2.70 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 67 N 8.06 4.92 0.00 3.02 2.78 0.00 0.00 6.22 7.72 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 68 S 8.45 5.20 0.00 3.93 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 69 L 9.73 5.67 0.00 1.62 1.68 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.73 4.61 0.51 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 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.63 4.46 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 0.82 0.00 0.00 0.89 0.00 0.00 72 V 8.75 4.22 1.35 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 -0.40 0.00 0.00 -0.49 0.00 0.00 73 P 0.00 4.81 0.00 2.13 2.04 0.00 3.50 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.83 0.00 74 V 7.71 3.17 0.97 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 0.34 0.00 0.00 0.77 0.00 0.00 75 S 6.95 4.43 0.00 3.91 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 76 D 8.92 4.11 0.00 2.79 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 77 N 7.72 4.89 0.00 2.84 2.88 0.00 0.00 6.68 7.52 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 78 S 7.83 4.54 0.00 3.80 3.65 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 79 T 8.52 4.77 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 1.11 0.00 0.00 80 L 9.10 4.81 0.00 1.33 1.20 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.21 4.44 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 0.82 0.00 0.00 0.92 0.00 0.00 82 F 9.64 4.92 0.00 3.05 3.18 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 0.00 0.00 0.00 83 S 8.87 5.27 0.00 3.96 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 84 N 9.33 4.72 0.00 2.80 2.78 0.00 0.00 7.00 8.12 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 85 V 8.52 4.54 1.98 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 0.70 0.00 0.00 0.81 0.00 0.00 86 I 8.17 3.63 1.82 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 1.42 0.70 0.85 0.00 0.00 87 S 7.95 4.48 0.00 4.02 3.35 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 88 A 8.73 4.29 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 89 S 7.61 4.64 0.00 3.95 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 90 G 8.76 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 91 A 9.11 4.44 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 92 K 7.89 4.27 0.00 0.79 1.11 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.52 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.94 0.43 7.81 93 Y 9.36 5.50 0.00 3.19 3.08 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 0.00 0.00 0.00 94 A 9.08 5.55 1.25 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 0.00 0.00 95 A 9.01 4.14 0.07 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 0.00 0.00 0.00 0.00 0.00 96 G 8.88 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 0.00 0.00 0.00 97 Q 8.49 4.39 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.75 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 98 Y 8.04 5.98 0.00 3.23 3.26 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 0.00 0.00 0.00 0.00 99 I 8.83 5.38 2.24 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 1.18 0.00 0.00 100 W 9.93 5.30 0.00 2.67 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 0.00 101 W 9.04 5.46 0.00 3.71 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 0.00 102 T 9.34 4.88 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 1.16 0.00 0.00 103 K 8.93 4.31 0.00 1.74 1.59 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 1.39 7.81 104 G 8.81 3.77 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 0.00 0.00 0.00 105 E 8.60 4.52 0.00 2.12 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 2.35 2.28 0.00 106 E 8.02 5.12 0.00 2.09 1.84 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 2.25 2.24 0.00 107 A 8.57 4.75 0.35 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 0.00 108 T 7.97 4.81 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 0.44 0.00 0.00 109 L 8.63 5.41 0.00 2.30 1.69 1.12 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.43 5.14 0.00 3.04 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 0.00 111 G 8.90 4.41 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 0.00 112 D 8.09 4.97 0.00 2.61 2.64 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 *121 G 7.75 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 0.00 0.00 0.00 122 V 8.02 3.92 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 0.98 0.00 0.00 0.99 0.00 0.00 123 A 8.59 4.84 1.28 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 0.00 0.00 0.00 124 C 9.43 5.72 0.00 2.90 3.12 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 0.00 0.00 0.00 125 K 8.99 5.30 0.00 1.79 1.87 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 126 E 8.54 3.87 0.00 1.82 1.68 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 1.59 2.19 0.00 127 R 9.10 4.09 0.00 1.81 2.12 0.00 3.30 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.