NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6014 8.3644 119.5544 52.6750 41.7781 175.2562 4 C 4.1124 8.3341 120.9105 58.4567 32.6672 169.0872 5 V 3.5471 8.7392 127.7350 66.3464 31.4011 177.3284 6 L 3.8297 7.8205 119.2493 58.1699 41.9497 178.5104 7 D 4.3482 7.9705 118.4245 57.2354 40.8345 178.6980 8 V 3.5736 7.7493 118.7303 66.3167 31.4695 177.9765 9 M 4.0730 8.2864 118.6702 58.7745 31.7694 178.4350 10 H 4.2925 8.5338 116.4545 58.9097 29.0031 177.7503 11 A 4.0534 8.1196 122.5614 55.2619 18.2073 179.8107 12 I 3.7139 7.8436 118.3997 64.4192 37.0679 177.9676 13 Y 3.9579 8.3677 120.7432 60.8122 38.7062 177.9783 14 Q 3.8974 8.3616 120.4466 59.3217 29.2576 178.1313 15 Q 3.9412 7.9893 120.1447 59.2206 29.0746 177.9090 16 N 4.3432 8.1010 117.6684 55.7641 38.5442 177.4374 17 K 3.8080 8.0510 123.8483 60.0395 32.2073 179.3774 18 E 3.7939 7.9221 118.5256 61.2760 29.5972 180.3064 19 H 4.1523 8.0348 119.0899 58.9068 29.9436 177.1137 20 F 4.1621 8.1136 122.3822 61.4771 39.2571 177.1384 21 Q 2.5200 7.4015 117.4123 58.5232 28.1707 178.6018 22 D 4.2859 7.9410 120.0568 57.1363 40.8885 178.4371 23 E 3.8336 8.0692 119.9785 59.3681 29.5940 178.7707 24 C 4.1806 7.8506 116.7262 62.9993 28.2516 176.1943 25 T 3.8917 8.0792 117.3498 66.4585 67.8529 176.5228 26 K 3.8673 8.0219 120.5498 59.5775 32.2677 178.1924 27 L 4.0806 7.6218 118.7598 57.7995 42.3046 178.1760 28 L 4.3774 7.8967 118.2991 55.2669 42.1163 177.3672 29 V 3.9328 7.2830 119.0921 64.4346 31.6314 176.1306 30 G 3.9873 9.3424 116.8512 45.0464 0.0000 172.9319 31 N 4.8238 7.9875 117.2787 52.5358 40.4821 174.0024 32 I 4.8245 8.1968 121.5195 59.9512 39.5554 175.3929 33 V 4.6975 9.0560 122.7236 60.2316 35.3681 175.2184 34 I 5.0087 8.9408 122.0531 59.0105 39.3449 175.4104 35 T 5.3644 8.4863 117.8355 58.7604 69.7570 175.9415 36 R 4.3282 9.1043 126.0863 57.4101 30.5609 178.7150 37 Y 4.1052 7.9257 116.0864 59.0211 38.1164 176.1577 38 N 4.7891 6.5105 111.9383 51.0719 38.9807 173.5225 39 N 4.0759 7.7936 116.0246 55.0416 36.7375 173.6804 40 R 4.6447 7.3739 116.9665 54.4354 33.5596 176.9201 41 T 4.9813 7.9377 113.3453 60.4407 70.8918 173.6309 42 Y 4.6802 8.6599 121.4688 56.3148 42.7322 174.1418 43 R 4.6290 8.6332 124.4125 56.0409 31.3805 175.6077 44 I 4.1612 9.2616 128.2973 61.3661 37.8723 176.0848 45 D 4.9236 9.2033 127.0159 54.2132 42.5459 175.3680 46 D 4.3535 7.1089 117.0602 53.9289 44.7538 174.4904 47 V 4.4255 8.2507 120.5666 60.8527 34.0510 174.2125 48 D 4.5989 8.8316 129.0011 52.9818 41.2047 176.8173 49 W 4.4965 8.8324 126.2236 58.3044 29.5853 177.1603 50 N 4.8017 8.3054 114.5847 53.2137 38.5979 174.9225 51 K 4.9736 7.6704 117.9140 54.8588 35.0222 174.8012 52 T 4.9978 8.5457 113.8099 58.8773 70.6733 173.1929 53 P 4.5550 0.0000 0.0000 65.0131 31.5500 179.0110 54 K 4.1441 8.0819 116.8476 59.0856 32.5123 177.0108 55 D 4.8432 8.7502 121.6360 54.9685 42.1748 176.2695 56 S 5.2316 8.6106 118.0005 57.0088 65.5183 173.8256 57 F 5.0084 7.9295 115.0624 55.5967 41.1952 173.9836 58 T 4.6191 8.5085 117.1739 63.1478 69.4249 175.0674 59 M 4.4783 8.9379 126.7083 53.9056 34.0884 177.0159 60 S 4.1977 8.7914 113.7875 62.0109 62.7706 175.7166 61 D 4.3906 7.8925 119.2011 54.0842 39.5487 175.6647 62 G 3.4128 7.3334 107.1861 44.7150 0.0000 173.9742 63 K 3.9473 8.1098 124.1610 56.8775 33.0805 175.3143 64 E 4.8564 8.5782 126.5175 55.0220 31.4567 175.2551 65 I 4.5563 7.5174 122.4605 59.2589 41.9467 174.8572 66 T 4.5621 8.3286 118.2130 61.0857 70.0236 175.5743 67 F 4.5506 8.7974 121.3539 60.6317 38.7837 178.0686 68 L 4.1982 8.0735 118.8354 58.1594 41.4723 179.4670 69 E 4.0357 8.3954 118.3368 59.3644 29.3629 178.7659 70 Y 3.9878 8.2785 119.6015 61.1752 38.9445 178.0025 71 Y 4.1894 8.4938 119.9703 61.4360 37.9749 179.2127 72 S 4.4292 8.1457 123.2381 63.4814 62.2966 180.3311 73 K 4.1921 7.9826 126.6057 59.2201 31.5050 180.1761 74 N 4.4071 7.6045 115.8485 54.3835 38.8439 175.5509 75 Y 4.6439 7.4352 114.2645 56.5436 39.9119 176.2265 76 G 3.8940 8.0563 107.1115 46.1405 0.0000 173.1469 77 I 4.2405 7.6658 120.5588 59.7945 38.3184 174.8711 78 T 4.5949 8.3204 122.4263 61.7284 69.0251 174.6797 79 V 3.8706 8.4537 129.9861 62.9997 31.7829 176.5061 80 K 3.9924 9.2673 132.5392 57.9274 31.7258 174.5678 81 E 4.4657 8.1544 119.4338 54.4203 28.5762 177.4448 82 E 4.3451 8.7513 125.9371 57.0269 29.8573 178.0188 83 D 5.0459 8.0286 115.9317 51.6919 41.3714 181.4507 84 Q 4.2718 7.7649 117.6727 56.4308 29.3292 174.5024 85 P 4.9784 0.0000 0.0000 61.5924 33.7505 174.5564 86 L 4.6488 7.8538 118.2903 53.0386 44.7613 175.9610 87 L 4.5431 8.7271 123.1727 53.7651 43.5057 175.5455 88 I 4.6892 8.7277 124.8863 59.8194 39.6877 174.0174 89 H 5.1788 9.0222 126.7171 54.4443 32.4716 172.7722 90 R 4.6601 9.3909 126.4246 54.0140 30.0567 174.7251 91 P 4.1467 0.0000 0.0000 65.0962 32.0338 176.8311 *104 G 3.7161 7.5822 107.8154 43.7789 0.0000 172.1611 105 E 4.0518 8.6645 120.4317 56.8990 30.1159 176.5472 106 I 4.3166 8.7146 124.5054 59.7437 39.2375 174.5053 107 L 5.0141 8.3425 126.6243 52.8961 43.7679 175.8013 108 L 4.8706 8.6766 123.6081 52.7684 45.7385 175.4152 109 L 4.4695 8.1219 121.4383 52.9407 42.8542 176.1055 110 P 4.0885 0.0000 0.0000 65.5135 31.5965 178.2514 111 E 3.8024 8.3707 118.2664 58.4833 29.8806 177.0949 112 L 4.7434 7.8177 116.5541 54.4091 43.0286 176.0729 113 S 5.3357 7.4229 115.2074 56.7253 65.3591 173.7095 114 F 4.8260 9.1288 121.8597 55.6561 42.7838 174.5217 115 M 4.1929 8.9100 122.4030 56.5570 32.2124 174.1648 116 T 4.2959 9.3119 108.2618 58.8672 70.9802 172.2599 117 G 3.4005 8.7413 107.3537 42.7542 0.0000 174.1125 118 I 3.6839 8.1129 122.8062 60.8109 36.3790 170.1435 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 3 D 8.36 4.60 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.33 4.11 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.74 3.55 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 1.05 0.00 0.00 0.92 0.00 0.00 6 L 7.82 3.83 0.00 1.73 1.57 0.79 1.24 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 7 D 7.97 4.35 0.00 2.90 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 8 V 7.75 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 1.03 0.00 0.00 0.98 0.00 0.00 9 M 8.29 4.07 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 10 H 8.53 4.29 0.00 3.34 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.12 4.05 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 12 I 7.84 3.71 2.01 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 1.41 0.53 0.92 0.00 0.00 13 Y 8.37 3.96 0.00 3.17 3.22 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 14 Q 8.36 3.90 0.00 2.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 15 Q 7.99 3.94 0.00 2.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 16 N 8.10 4.34 0.00 2.84 2.70 0.00 0.00 6.63 7.27 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 17 K 8.05 3.81 0.00 1.30 1.73 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.34 7.81 18 E 7.92 3.79 0.00 2.05 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 2.24 2.19 0.00 19 H 8.03 4.15 0.00 3.28 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.11 4.16 0.00 3.05 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 21 Q 7.40 2.52 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 22 D 7.94 4.29 0.00 2.64 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 23 E 8.07 3.83 0.00 2.12 2.00 0.00 0.00 0.00 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 24 C 7.85 4.18 0.00 3.32 3.06 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 0.00 0.00 0.00 25 T 8.08 3.89 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 1.27 0.00 0.00 26 K 8.02 3.87 0.00 2.17 1.83 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.33 7.81 27 L 7.62 4.08 0.00 1.84 1.90 0.93 0.91 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 28 L 7.90 4.38 0.00 1.87 1.64 0.90 0.81 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 29 V 7.28 3.93 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 0.78 0.00 0.00 0.97 0.00 0.00 30 G 9.34 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.99 4.82 0.00 2.85 2.74 0.00 0.00 6.75 7.10 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 32 I 8.20 4.82 1.87 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 1.24 0.89 0.00 0.00 33 V 9.06 4.70 2.12 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 0.66 0.00 0.00 1.07 0.00 0.00 34 I 8.94 5.01 1.87 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 1.28 0.87 0.90 0.00 0.00 35 T 8.49 5.36 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 1.36 0.00 0.00 36 R 9.10 4.33 0.00 1.76 1.84 0.00 2.32 0.00 0.00 2.80 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.00 37 Y 7.93 4.11 0.00 2.93 3.01 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 38 N 6.51 4.79 0.00 2.81 2.86 0.00 0.00 7.08 7.92 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 39 N 7.79 4.08 0.00 2.87 2.80 0.00 0.00 6.77 7.53 0.00 0.00 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 R 7.37 4.64 0.00 1.92 1.36 0.00 3.12 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 41 T 7.94 4.98 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 1.12 0.00 0.00 42 Y 8.66 4.68 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.63 4.63 0.00 1.86 1.91 0.00 3.25 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 1.64 1.68 0.00 44 I 9.26 4.16 2.02 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 1.23 0.38 0.86 0.00 0.00 45 D 9.20 4.92 0.00 2.55 2.67 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 0.00 0.00 0.00 0.00 46 D 7.11 4.35 0.00 2.64 2.41 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 47 V 8.25 4.43 1.71 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 -0.38 0.00 0.00 0.75 0.00 0.00 48 D 8.83 4.60 0.00 2.61 2.41 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 49 W 8.83 4.50 0.00 3.32 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 50 N 8.31 4.80 0.00 2.92 2.91 0.00 0.00 6.77 7.63 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 51 K 7.67 4.97 0.00 1.82 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 0.95 7.81 52 T 8.55 5.00 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 1.38 0.00 0.00 53 P 0.00 4.56 0.00 2.29 2.18 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.00 0.00 54 K 8.08 4.14 0.00 1.82 1.94 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.68 7.81 55 D 8.75 4.84 0.00 3.03 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 56 S 8.61 5.23 0.00 3.37 3.61 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 57 F 7.93 5.01 0.00 2.93 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 58 T 8.51 4.62 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 1.20 0.00 0.00 59 M 8.94 4.48 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 60 S 8.79 4.20 0.00 3.98 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 61 D 7.89 4.39 0.00 2.80 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 62 G 7.33 3.41 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 63 K 8.11 3.95 0.00 1.75 1.63 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81 64 E 8.58 4.86 0.00 1.78 1.70 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 2.13 2.21 0.00 65 I 7.52 4.56 1.57 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 1.16 1.50 -0.06 0.00 0.00 66 T 8.33 4.56 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 1.25 0.00 0.00 67 F 8.80 4.55 0.00 3.54 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.20 0.00 1.75 1.82 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.40 4.04 0.00 2.18 2.00 0.00 0.00 0.00 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 2.35 0.00 70 Y 8.28 3.99 0.00 3.21 3.24 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 71 Y 8.49 4.19 0.00 3.27 3.04 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 72 S 8.15 4.43 0.00 3.72 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 73 K 7.98 4.19 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 N 7.60 4.41 0.00 1.65 1.55 0.00 0.00 6.83 7.06 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 75 Y 7.44 4.64 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 77 I 7.67 4.24 1.94 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.25 0.85 0.00 0.00 78 T 8.32 4.59 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 1.24 0.00 0.00 79 V 8.45 3.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 80 K 9.27 3.99 0.00 1.84 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.25 7.81 81 E 8.15 4.47 0.00 1.99 1.81 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 2.21 2.14 0.00 82 E 8.75 4.35 0.00 1.98 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 2.34 2.32 0.00 83 D 8.03 5.05 0.00 2.66 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 84 Q 7.76 4.27 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.22 0.00 85 P 0.00 4.98 0.00 1.30 1.65 0.00 3.18 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.00 86 L 7.85 4.65 0.00 1.36 1.26 0.22 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.73 4.54 0.00 1.40 1.45 0.81 0.48 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 88 I 8.73 4.69 1.87 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 1.11 1.02 0.89 0.00 0.00 89 H 9.02 5.18 0.00 3.24 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.39 4.66 0.00 1.72 1.82 0.00 3.18 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 91 P 0.00 4.15 0.00 2.17 2.22 0.00 3.48 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 2.06 2.10 0.00 *104 G 7.58 3.72 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 0.00 0.00 0.00 105 E 8.66 4.05 0.00 1.93 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 2.28 2.32 0.00 106 I 8.71 4.32 1.79 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 1.23 0.68 0.38 0.00 0.00 107 L 8.34 5.01 0.00 1.44 1.40 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.68 4.87 0.00 1.42 1.46 0.74 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.12 4.47 0.00 1.33 1.53 0.52 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.09 0.00 2.04 1.97 0.00 3.70 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 1.92 1.86 0.00 111 E 8.37 3.80 0.00 1.96 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 2.22 0.00 112 L 7.82 4.74 0.00 1.72 1.88 0.13 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.42 5.34 0.00 3.57 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 0.00 114 F 9.13 4.83 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.91 4.19 0.00 1.92 2.03 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 2.61 2.48 0.00 116 T 9.31 4.30 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 1.22 0.00 0.00 117 G 8.74 3.40 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 0.00 118 I 8.11 3.68 1.87 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 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.