NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.2088 8.5445 116.7547 55.5478 30.3844 176.4251 12 V 3.7545 8.2637 123.6396 58.5668 30.5743 172.0878 13 R 4.1463 9.1522 126.1432 55.9052 31.0159 174.3421 14 I 4.1385 8.2742 121.6458 60.5060 39.0265 175.0281 15 F 4.5632 7.6566 120.4611 54.4589 38.2842 176.6286 16 A 4.3885 7.9368 129.6692 50.6467 17.0798 177.6038 17 G 4.1072 7.8273 106.8764 45.9754 0.0000 173.2155 18 N 4.5068 8.4974 116.6689 53.7882 38.3178 175.5417 19 D 4.2511 7.9911 118.9501 52.8522 39.4521 173.6835 20 P 4.1355 0.0000 0.0000 63.1141 31.7657 175.6681 21 A 4.6885 7.9735 125.3333 50.9222 19.9549 176.1801 22 H 5.1945 8.7954 117.3693 54.2258 33.3051 172.7251 23 T 5.0360 8.5065 109.9526 60.2498 71.9424 172.3503 24 A 4.6183 8.5932 122.9429 50.9297 23.1386 175.0153 25 T 5.0845 7.9812 108.5642 60.4340 71.8035 173.4041 26 G 4.2353 8.5852 108.0978 45.2821 0.0000 172.5253 27 S 4.6959 8.5330 115.9265 58.4447 63.3603 172.7208 28 S 4.9247 8.7817 122.9200 56.9688 63.3796 173.7570 29 G 4.1672 9.1553 113.1222 46.0157 0.0000 172.8842 30 I 4.2612 7.6220 121.5940 60.5924 37.8516 176.5099 31 S 5.4898 8.3840 120.2196 56.1765 63.3727 173.6413 32 S 4.6284 7.8310 111.6447 57.6208 65.5218 173.1688 33 P 4.5954 0.0000 0.0000 64.0153 31.8056 175.7102 34 T 4.7403 8.8234 121.2458 60.8040 71.7305 172.3343 35 P 4.8123 0.0000 0.0000 62.3541 32.4567 175.8980 36 A 4.1447 8.4354 122.1727 52.3130 19.6047 176.8909 37 L 3.5934 8.9360 116.7267 56.1413 39.6273 174.1461 38 T 4.7172 7.5144 114.7538 61.1448 70.8709 172.6113 39 P 4.7458 0.0000 0.0000 62.7396 32.6568 175.2327 40 L 5.3818 9.3906 124.2967 53.1659 45.1603 175.2927 41 M 5.4142 9.1149 118.5760 52.3864 35.4419 173.8154 42 L 4.7694 8.3637 118.8686 53.7123 43.4797 176.2247 43 D 4.4532 9.0901 124.1704 53.8086 41.4700 176.4706 44 E 3.9320 9.2560 126.4549 59.6918 29.7587 178.6712 45 A 4.2032 8.4701 120.6373 54.3310 18.7822 178.2227 46 T 4.2361 8.2769 103.9490 61.2224 70.2087 175.8589 47 G 3.9315 8.7015 109.5260 44.8700 0.0000 173.3525 48 K 4.4102 7.7149 119.3028 55.5009 34.1404 175.9448 49 L 4.7454 8.8878 123.1707 54.6171 43.1348 176.6847 50 V 4.6757 8.6887 116.0049 59.0713 36.8050 174.7760 51 V 4.1213 8.3153 121.5019 62.7750 31.9490 175.4360 52 W 4.4825 9.1612 135.0000 57.7498 30.6781 175.5844 53 D 4.1828 8.6232 125.8154 53.1255 39.5099 177.2469 54 G 2.2382 5.3800 107.1566 45.5007 0.0000 174.6107 55 Q 4.0837 8.2638 119.0691 57.4092 29.2546 176.5461 56 K 4.6690 7.6694 116.4568 54.3039 36.1829 175.4615 57 A 4.3118 8.6597 126.0994 53.3522 18.9304 178.0381 58 G 3.9642 8.5301 109.4962 46.2819 0.0000 174.4805 59 S 4.4021 7.7580 112.0706 58.0676 63.5251 173.7322 60 A 4.3464 7.4662 125.9225 51.8046 17.4166 177.8699 61 V 4.2859 8.2618 115.1856 62.2396 32.5087 176.1561 62 G 4.1694 7.3276 106.8237 45.9021 0.0000 172.3048 63 I 4.9823 7.8047 119.3547 58.7069 40.6323 175.3997 64 L 4.2507 8.8642 129.9768 56.0344 42.4160 177.6551 65 V 3.6668 8.7229 126.9105 64.7286 32.1334 176.0364 66 L 5.0303 7.5761 117.9196 51.6451 44.6721 174.9179 67 P 4.6065 0.0000 0.0000 63.2972 32.1668 175.2762 68 L 4.7757 8.8109 121.7130 53.1362 43.8669 177.8303 69 E 3.8749 10.0857 123.5714 58.3764 29.8355 178.0677 70 G 4.1199 8.6601 105.6585 45.5535 0.0000 174.5511 71 T 4.4939 7.6110 107.4041 60.9793 69.6583 173.9601 72 E 4.2438 8.0083 121.9837 56.7942 30.3088 176.6548 73 T 4.4109 8.4218 111.3182 62.8464 70.4009 173.8254 74 A 5.4344 7.8106 122.3483 50.3697 22.9210 174.4561 75 L 4.8194 8.9740 118.4842 54.8337 44.9528 174.8680 76 T 5.2722 8.4696 115.2388 61.9442 71.5892 173.0704 77 Y 5.2296 8.9348 123.3189 55.3203 41.7193 173.9666 78 Y 4.8496 8.9379 119.4894 58.0321 38.9791 176.1967 79 K 4.8423 9.2618 122.0437 56.8825 34.0119 175.5106 80 S 4.6157 8.2074 114.7814 57.8437 66.6430 172.6203 81 G 3.8858 7.9902 105.1459 44.1239 0.0000 172.7774 82 T 5.0323 8.2919 115.1763 61.8040 70.9072 173.8645 83 F 5.0829 9.3099 125.2010 55.3237 42.5554 174.9447 84 A 4.6043 8.3817 123.3597 52.0807 18.5457 178.7415 85 T 4.2453 9.0374 120.6956 67.1965 68.8680 176.5674 86 E 4.2081 8.2961 118.8940 58.7776 29.7179 177.7347 87 A 4.2407 7.9025 120.6824 53.7706 19.1075 177.6561 88 I 3.9354 7.1627 115.5827 61.4580 38.0085 176.3778 89 H 4.7619 8.5330 124.5785 54.4861 28.2571 175.1722 90 W 4.7957 8.5837 123.1945 55.0467 30.2777 174.7834 91 P 4.5047 0.0000 0.0000 62.1307 31.6579 176.1642 92 E 3.7669 9.0132 121.8260 59.4539 30.2831 178.4549 *93 S 3.6949 8.5772 119.2563 58.8572 59.4481 169.8133 94 V 4.0653 7.1656 121.0725 60.3590 33.3993 176.8748 95 D 4.3326 8.5505 121.0713 55.1746 42.5227 177.6427 96 E 3.9023 8.6692 125.5273 59.5824 29.5270 179.2942 97 H 4.3131 8.0757 116.0515 58.7671 28.7569 177.7914 98 K 4.1830 8.2928 119.2350 59.0429 31.7202 179.1344 99 K 4.1701 8.1563 120.1440 59.3339 31.8535 178.8107 100 A 4.0133 7.8869 120.1094 54.3254 18.5283 178.4866 101 N 4.8856 7.9725 113.3103 52.9979 39.6082 176.8824 102 A 3.6120 7.4595 126.6886 54.8455 18.5363 180.0627 103 F 4.9125 7.8580 110.6626 56.1747 39.7914 175.2890 104 A 4.2714 7.7140 125.6642 53.5985 18.3687 177.8119 105 G 4.0764 8.9474 112.6636 45.7165 0.0000 173.5980 106 S 4.6798 7.8399 113.7459 56.8267 65.4753 173.4030 107 A 4.4305 8.4187 119.9083 52.8728 19.2310 177.2178 108 L 5.0313 7.8798 116.0711 53.7779 43.5951 175.9044 109 S 4.9999 8.5145 115.2116 58.3013 66.9895 172.4439 110 H 5.6276 8.6277 113.9478 54.8501 31.1548 172.5105 111 A 4.8134 9.3121 121.3991 49.8215 23.4122 176.2662 112 A 4.3018 8.7501 120.6018 52.9365 18.3770 177.8881 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 E 8.54 4.21 0.00 2.01 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 0.00 2.13 1.88 0.00 12 V 8.26 3.75 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 0.83 0.00 0.00 0.93 0.00 0.00 13 R 9.15 4.15 0.00 1.82 1.76 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 14 I 8.27 4.14 1.47 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.62 0.00 0.00 15 F 7.66 4.56 0.00 2.74 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 16 A 7.94 4.39 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 17 G 7.83 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 18 N 8.50 4.51 0.00 2.79 2.91 0.00 0.00 6.04 8.06 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 19 D 7.99 4.25 0.00 2.80 2.85 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 0.00 0.00 0.00 20 P 0.00 4.14 0.00 1.79 1.92 0.00 3.60 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 1.98 2.03 0.00 21 A 7.97 4.69 0.83 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 0.00 0.00 22 H 8.80 5.19 0.00 3.07 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.51 5.04 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 1.08 0.00 0.00 24 A 8.59 4.62 0.62 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 25 T 7.98 5.08 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 1.18 0.00 0.00 26 G 8.59 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 0.00 0.00 0.00 0.00 27 S 8.53 4.70 0.00 3.93 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 28 S 8.78 4.92 0.00 3.91 3.73 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 29 G 9.16 4.17 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 0.00 30 I 7.62 4.26 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 1.35 0.74 0.94 0.00 0.00 31 S 8.38 5.49 0.00 3.92 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 32 S 7.83 4.63 0.00 3.84 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 33 P 0.00 4.60 0.00 1.95 2.07 0.00 3.61 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 2.03 2.32 0.00 34 T 8.82 4.74 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 1.21 0.00 0.00 35 P 0.00 4.81 0.00 2.14 2.05 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 2.02 1.91 0.00 36 A 8.44 4.14 1.36 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 0.00 0.00 37 L 8.94 3.59 0.00 1.67 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.51 4.72 4.23 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 1.21 0.00 0.00 39 P 0.00 4.75 0.00 2.19 1.58 0.00 3.48 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 1.44 1.47 0.00 40 L 9.39 5.38 0.00 1.39 1.42 0.81 0.80 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 41 M 9.11 5.41 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 42 L 8.36 4.77 0.00 1.56 1.63 0.93 1.03 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 43 D 9.09 4.45 0.00 2.70 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 44 E 9.26 3.93 0.00 1.99 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 2.34 2.29 0.00 45 A 8.47 4.20 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 46 T 8.28 4.24 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 1.21 0.00 0.00 47 G 8.70 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 48 K 7.71 4.41 0.00 1.75 1.80 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 49 L 8.89 4.75 0.00 1.54 1.43 0.47 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.69 4.68 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 0.67 0.00 0.00 0.93 0.00 0.00 51 V 8.32 4.12 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 0.81 0.00 0.00 0.94 0.00 0.00 52 W 9.16 4.48 0.00 3.17 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 53 D 8.62 4.18 0.00 2.60 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 54 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.26 4.08 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 56 K 7.67 4.67 0.00 1.87 1.73 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 A 8.66 4.31 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 58 G 8.53 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 59 S 7.76 4.40 0.00 4.22 4.26 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 60 A 7.47 4.35 0.17 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 61 V 8.26 4.29 2.11 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 0.70 0.00 0.00 0.88 0.00 0.00 62 G 7.33 4.17 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 0.00 63 I 7.80 4.98 1.64 0.00 0.00 -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 0.80 0.28 0.71 0.00 0.00 64 L 8.86 4.25 0.00 1.75 1.55 1.01 0.87 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 65 V 8.72 3.67 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 0.54 0.00 0.00 -0.07 0.00 0.00 66 L 7.58 5.03 0.00 1.51 1.51 0.91 1.02 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 67 P 0.00 4.61 0.00 2.08 2.07 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 68 L 8.81 4.78 0.00 1.56 1.71 0.92 0.83 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 69 E 10.09 3.87 0.00 2.01 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 2.46 2.40 0.00 70 G 8.66 4.12 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 0.00 0.00 0.00 71 T 7.61 4.49 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 1.21 0.00 0.00 72 E 8.01 4.24 0.00 1.96 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 2.31 2.35 0.00 73 T 8.42 4.41 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 1.21 0.00 0.00 74 A 7.81 5.43 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 0.00 0.00 0.00 0.00 0.00 75 L 8.97 4.82 0.00 1.73 1.74 0.98 0.83 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 76 T 8.47 5.27 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 1.07 0.00 0.00 77 Y 8.93 5.23 0.00 2.99 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 Y 8.94 4.85 0.00 3.00 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 79 K 9.26 4.84 0.00 1.72 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 80 S 8.21 4.62 0.00 3.91 4.02 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 0.00 0.00 0.00 0.00 81 G 7.99 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.29 5.03 4.21 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 1.29 0.00 0.00 83 F 9.31 5.08 0.00 2.88 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 84 A 8.38 4.60 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 85 T 9.04 4.25 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 1.30 0.00 0.00 86 E 8.30 4.21 0.00 2.00 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 2.36 2.43 0.00 87 A 7.90 4.24 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 88 I 7.16 3.94 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.65 -0.31 0.00 0.00 89 H 8.53 4.76 0.00 2.95 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.58 4.80 0.00 3.27 3.30 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 91 P 0.00 4.50 0.00 2.10 2.00 0.00 4.38 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.72 0.00 92 E 9.01 3.77 0.00 1.97 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 0.00 2.34 2.34 0.00 *93 S 8.58 3.69 0.00 3.70 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 94 V 7.17 4.07 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 0.93 0.00 0.00 0.89 0.00 0.00 95 D 8.55 4.33 0.00 2.79 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 96 E 8.67 3.90 0.00 1.83 1.82 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 2.30 2.24 0.00 97 H 8.08 4.31 0.00 3.41 3.32 0.00 5.62 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 98 K 8.29 4.18 0.00 1.87 2.12 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.74 7.81 99 K 8.16 4.17 0.00 1.76 1.78 0.00 1.02 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 0.21 7.81 100 A 7.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.97 4.89 0.00 2.77 2.82 0.00 0.00 6.87 7.58 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 0.00 102 A 7.46 3.61 0.11 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 0.00 103 F 7.86 4.91 0.00 3.29 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 0.00 104 A 7.71 4.27 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 0.00 105 G 8.95 4.08 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 0.00 0.00 0.00 106 S 7.84 4.68 0.00 4.07 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 0.00 107 A 8.42 4.43 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 0.00 108 L 7.88 5.03 0.00 1.32 0.94 0.70 0.59 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 0.00 109 S 8.51 5.00 0.00 3.91 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 0.00 110 H 8.63 5.63 0.00 3.54 3.59 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.31 4.81 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 0.00 112 A 8.75 4.30 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 * Residues marked with a * may have inaccurate shift predictions.