NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7357 8.3033 120.3496 55.5467 31.1548 174.1840 2 L 4.0649 7.8844 125.4400 57.3873 41.3569 178.3451 3 L 4.1597 9.1312 119.4032 56.9602 42.1523 178.5494 4 Q 4.1950 8.0470 118.3944 58.1411 28.9937 177.7258 5 F 4.5011 8.2398 121.2848 61.5140 39.5027 176.8475 6 R 3.7210 8.4123 118.5612 59.5377 29.9410 178.6566 7 K 4.2105 7.7834 117.5933 59.4275 32.0358 179.4368 8 M 4.5914 8.0319 118.8176 58.6713 31.9778 178.7866 9 I 3.7186 7.6980 119.9911 64.0384 37.0923 178.3829 10 K 4.1780 7.9822 121.7725 59.0231 31.8944 178.8124 11 K 3.6693 7.8214 118.0311 59.6447 32.1758 178.1798 12 M 4.3661 8.2324 117.3228 57.1319 32.1434 177.6470 13 T 4.5108 8.1097 114.6236 62.7268 70.8819 175.4990 14 G 3.7879 8.7212 108.7626 45.6090 0.0000 172.9010 *16 K 4.4702 7.4673 117.5506 55.8150 33.3091 174.7416 17 E 4.3496 8.3745 121.4580 55.3221 30.1093 175.5157 18 P 4.3745 0.0000 0.0000 65.9457 31.2885 178.7641 19 V 3.6837 7.6967 115.7487 65.4556 31.3938 177.7485 20 V 4.0374 7.6398 116.5397 65.5140 32.0507 177.5812 21 S 4.4943 8.1025 114.0661 59.4268 63.0042 174.5817 22 Y 4.6956 8.4450 117.0626 57.5638 40.1549 177.4013 23 A 3.9471 8.2487 122.2248 54.4312 18.9182 178.3970 24 F 5.1122 8.1250 112.6764 57.1678 40.4211 173.6973 25 Y 4.5054 8.2476 123.4040 58.4770 39.9851 175.9029 26 G 3.6208 7.8044 115.7751 47.4330 0.0000 174.0881 27 C 4.8634 9.1351 116.9089 56.8617 41.8842 174.5279 28 Y 4.3630 8.3642 115.3034 58.3619 39.8986 176.4996 29 C 4.6411 8.3440 115.9806 59.6463 40.7857 175.2894 30 G 4.2028 7.7578 107.7099 45.5858 0.0000 173.0487 31 S 4.3179 8.5460 115.8444 59.1883 64.3571 176.2361 32 G 3.6717 8.5696 111.3409 46.5288 0.0000 173.5225 33 G 4.4836 7.9230 116.3836 45.7328 0.0000 171.3652 34 R 4.4751 6.9869 116.5795 55.3629 33.2054 176.9579 35 G 3.8248 9.2504 106.6946 46.4297 0.0000 172.8041 36 K 4.7877 8.3954 121.8598 53.5039 34.3064 174.3643 37 P 4.5702 0.0000 0.0000 62.9207 31.7917 176.7480 38 K 3.8614 9.5533 123.8006 59.1962 32.4458 176.3152 39 D 4.5160 7.3609 115.5595 51.7040 41.7271 174.6313 40 A 3.9901 8.9547 119.4861 56.3632 17.8656 179.9525 41 T 4.0043 8.0651 113.6329 67.0865 68.5617 176.2048 42 D 4.6662 8.9720 119.9147 57.3682 41.1168 178.4855 43 R 4.0390 8.1310 118.7965 59.0259 29.9743 178.1644 44 C 4.1434 8.0355 116.3169 60.3278 41.3095 175.5649 45 C 4.3002 8.1058 117.0509 59.6953 37.1956 175.9572 46 F 3.8769 8.1594 122.5104 61.1548 38.8864 177.4335 47 V 3.1868 7.9926 118.1731 66.1590 31.3564 177.4638 48 H 3.8396 8.1831 117.9522 59.1529 29.4139 177.0282 49 D 4.1820 7.9211 120.8748 57.4805 40.4410 178.0922 50 C 4.1338 7.4461 115.9555 59.6501 34.8829 175.1574 51 C 4.2822 7.9763 120.4622 59.9657 41.5485 175.3250 52 Y 4.0177 7.8598 118.0252 60.8402 37.1110 178.1921 53 E 4.1407 7.7507 119.0302 58.6779 29.6437 178.5470 54 K 4.1625 7.6291 118.6775 57.2711 32.4092 177.0774 55 V 3.6978 6.8879 118.3829 63.1471 31.8225 174.8985 56 T 4.2489 8.5326 123.1730 64.9190 70.4123 175.7716 *59 G 3.7279 7.8520 108.8515 45.2734 0.0000 170.8948 *61 C 4.8409 7.5916 112.6719 55.2593 43.1134 171.8554 *67 D 4.7449 8.4323 116.9807 53.3882 40.4746 173.8122 68 P 3.8044 0.0000 0.0000 65.3670 31.7629 178.3618 69 K 3.5830 7.8898 118.0601 58.4284 31.8696 178.4465 70 W 4.6972 7.6687 113.9283 56.2784 30.0142 175.2924 71 D 4.7958 8.0947 119.9246 53.1756 41.3275 175.9311 72 D 4.6571 8.5851 124.0459 53.7820 41.7925 175.1921 73 Y 4.9538 7.8042 120.8454 55.2160 41.2232 174.5213 74 T 4.9615 8.3678 110.2942 60.4924 71.2222 172.9839 75 Y 5.3304 8.3388 121.2226 56.6071 41.2663 173.2089 76 S 4.3646 9.3135 115.0600 56.5835 68.2503 174.3914 77 W 5.0797 8.3895 118.0135 55.2956 29.4339 176.5265 78 K 3.6870 8.3359 118.6675 57.7795 32.1462 176.7638 79 N 4.0581 9.3705 123.4171 54.9109 35.1526 175.3118 80 G 4.1143 8.1675 101.7395 46.4828 0.0000 171.7362 81 T 4.8678 7.7230 115.8615 61.3367 71.9813 173.6292 82 I 3.9719 8.4381 126.2819 61.3177 38.1449 175.4921 83 V 4.3518 9.3962 127.6943 61.2563 34.1920 173.4667 84 C 4.8899 8.9025 125.7058 56.2181 41.0912 173.3895 85 G 4.0397 8.8913 112.5144 46.7290 0.0000 173.2085 86 G 4.0577 8.7731 105.9215 45.9057 0.0000 173.6993 *88 D 4.8096 8.1043 116.7282 53.7524 42.8823 176.1456 89 D 4.5422 7.7908 118.8402 52.9353 41.7362 174.6585 90 P 4.2873 0.0000 0.0000 65.2879 31.3708 179.3389 91 C 4.1594 8.0641 117.7114 59.7294 40.0107 175.7355 92 K 3.8697 7.9589 119.5815 59.3230 31.6516 179.1687 93 K 3.8554 8.0789 120.0746 59.0986 31.9351 178.4906 94 E 3.7985 7.9712 119.7864 59.4740 29.7027 179.3476 95 V 3.5542 7.7661 112.0265 64.0296 31.4254 177.7721 96 C 2.8727 7.4742 118.6197 58.9969 44.3964 175.4027 97 E 3.6512 7.8946 120.3617 59.0918 29.0897 178.5262 98 C 4.1254 7.6389 116.8375 60.0328 40.7519 175.8992 99 D 3.6017 7.6437 119.9112 57.0347 40.5444 178.4980 100 K 3.7088 7.9962 120.1084 59.7139 32.1077 178.5300 101 A 3.9047 8.0604 120.5821 54.8948 18.1942 179.5423 102 A 3.4904 7.7019 118.7888 55.1151 18.4750 179.6232 103 A 4.0885 8.2819 119.5209 55.6224 18.4587 180.0001 104 I 3.7663 7.6886 117.8730 64.3911 36.8342 177.8518 105 C 4.2089 7.9732 119.6113 59.5113 43.1519 175.7042 106 F 4.3912 7.6767 118.7332 60.4380 38.5958 177.2759 107 R 4.1184 8.0535 118.3606 59.7875 29.7238 178.4158 108 D 4.4515 8.1741 117.0968 56.4826 40.9392 177.5253 109 N 4.9421 7.7053 114.9572 52.9636 38.9927 176.1531 110 L 4.0631 7.7254 125.5821 58.3674 41.7945 179.0837 111 K 4.0083 8.2401 118.6480 58.8769 32.2761 176.9650 112 T 4.5015 7.8287 106.7431 61.0842 68.9422 173.9114 113 Y 4.0868 8.1175 125.3128 57.9110 39.3937 174.7463 114 K 4.8038 8.9727 127.0603 54.2449 34.6222 177.4549 115 K 4.1657 8.8143 123.9580 59.3580 32.2233 179.1686 116 R 4.0229 7.7695 113.7497 58.2286 29.4842 176.6470 117 Y 4.5854 7.4795 116.1996 58.5958 38.5080 175.7553 118 M 4.3194 7.6687 117.4512 55.8688 31.9388 175.9837 119 A 3.9491 8.4102 121.1064 53.2675 16.9246 177.0406 120 Y 4.1551 7.4258 120.8263 58.2070 39.4897 173.7524 121 P 4.2862 0.0000 0.0000 62.3347 31.8821 177.1679 122 D 4.3365 8.6696 123.8259 57.1501 41.0479 178.3963 *124 I 4.0703 7.5993 117.9862 61.0428 38.8674 176.1801 125 L 4.3301 7.5552 117.7897 55.0444 41.7959 176.2922 126 C 4.6139 7.9311 117.4242 55.9774 39.3672 173.5073 127 S 4.3160 8.6343 117.4796 58.9447 62.4506 175.5617 128 S 4.2042 8.6006 120.7606 60.2402 63.0026 174.2927 129 K 4.3985 7.5598 121.7831 54.6828 32.3351 175.6363 130 S 5.3433 8.3845 122.7261 57.1670 63.8514 174.1031 131 E 4.1553 8.1898 125.3718 56.3638 30.1070 176.1221 132 K 4.7065 8.4815 124.2147 54.9159 34.1519 177.4386 133 C 4.3608 8.7281 119.5207 57.4122 41.1391 173.7314 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 1 H 8.30 4.74 0.00 3.18 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.88 4.06 0.00 1.72 1.76 0.70 0.28 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 3 L 9.13 4.16 0.00 1.68 1.75 0.99 1.16 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 4 Q 8.05 4.20 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 5 F 8.24 4.50 0.00 3.28 3.31 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 6 R 8.41 3.72 0.00 2.10 2.12 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 7 K 7.78 4.21 0.00 2.38 2.24 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.60 7.81 8 M 8.03 4.59 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.21 0.00 9 I 7.70 3.72 1.63 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.42 0.00 0.00 10 K 7.98 4.18 0.00 2.02 1.99 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 11 K 7.82 3.67 0.00 1.50 2.00 0.00 1.44 0.00 0.00 1.04 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.33 1.42 7.81 12 M 8.23 4.37 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 3.04 0.00 13 T 8.11 4.51 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 14 G 8.72 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 *16 K 7.47 4.47 0.00 1.88 1.68 0.00 1.64 0.00 0.00 1.19 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.31 7.81 17 E 8.37 4.35 0.00 2.08 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 2.40 2.57 0.00 18 P 0.00 4.37 0.00 2.16 1.96 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 19 V 7.70 3.68 2.35 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 0.94 0.00 0.00 1.00 0.00 0.00 20 V 7.64 4.04 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 0.97 0.00 0.00 0.97 0.00 0.00 21 S 8.10 4.49 0.00 3.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.70 0.00 2.80 2.58 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 0.00 0.00 0.00 0.00 23 A 8.25 3.95 1.14 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 0.00 0.00 24 F 8.12 5.11 0.00 3.17 3.07 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 25 Y 8.25 4.51 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.80 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 27 C 9.14 4.86 0.00 3.11 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 28 Y 8.36 4.36 0.00 3.22 3.13 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 0.00 0.00 0.00 0.00 29 C 8.34 4.64 0.00 3.46 3.58 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 0.00 0.00 0.00 0.00 30 G 7.76 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 31 S 8.55 4.32 0.00 3.90 3.85 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 32 G 8.57 3.67 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 0.00 0.00 0.00 33 G 7.92 4.48 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 0.00 0.00 0.00 34 R 6.99 4.48 0.00 1.81 1.77 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 35 G 9.25 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 0.00 0.00 0.00 36 K 8.40 4.79 0.00 1.70 1.64 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 37 P 0.00 4.57 0.00 1.86 1.89 0.00 3.36 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.00 38 K 9.55 3.86 0.00 1.10 0.74 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.67 0.21 7.81 39 D 7.36 4.52 0.00 2.90 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 40 A 8.95 3.99 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.07 4.00 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 1.05 0.00 0.00 42 D 8.97 4.67 0.00 3.07 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 43 R 8.13 4.04 0.00 2.17 1.98 0.00 3.12 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 44 C 8.04 4.14 0.00 3.16 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 45 C 8.11 4.30 0.00 3.44 3.46 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 46 F 8.16 3.88 0.00 2.43 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 47 V 7.99 3.19 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 0.87 0.00 0.00 0.87 0.00 0.00 48 H 8.18 3.84 0.00 3.08 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.92 4.18 0.00 2.89 2.65 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 50 C 7.45 4.13 0.00 2.77 2.89 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 51 C 7.98 4.28 0.00 2.96 2.99 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 52 Y 7.86 4.02 0.00 2.84 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 53 E 7.75 4.14 0.00 2.02 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 0.00 2.41 2.43 0.00 54 K 7.63 4.16 0.00 1.65 1.89 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.40 7.81 55 V 6.89 3.70 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 0.69 0.00 0.00 0.90 0.00 0.00 56 T 8.53 4.25 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 1.19 0.00 0.00 *59 G 7.85 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 0.00 0.00 0.00 *61 C 7.59 4.84 0.00 3.51 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 *67 D 8.43 4.74 0.00 2.77 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 68 P 0.00 3.80 0.00 0.49 1.24 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 69 K 7.89 3.58 0.00 1.51 0.74 0.00 1.59 0.00 0.00 1.53 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.73 1.15 7.81 70 W 7.67 4.70 0.00 3.36 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 71 D 8.09 4.80 0.00 2.85 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 72 D 8.59 4.66 0.00 2.67 2.55 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 73 Y 7.80 4.95 0.00 2.98 2.98 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 74 T 8.37 4.96 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 1.28 0.00 0.00 75 Y 8.34 5.33 0.00 3.02 2.95 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 0.00 0.00 0.00 0.00 76 S 9.31 4.36 0.00 3.67 3.69 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 77 W 8.39 5.08 0.00 3.25 3.27 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 78 K 8.34 3.69 0.00 1.77 1.87 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 79 N 9.37 4.06 0.00 2.99 2.88 0.00 0.00 7.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.17 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 81 T 7.72 4.87 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 1.24 0.00 0.00 82 I 8.44 3.97 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.26 0.64 0.00 0.00 83 V 9.40 4.35 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 0.88 0.00 0.00 1.00 0.00 0.00 84 C 8.90 4.89 0.00 2.80 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 85 G 8.89 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 0.00 0.00 0.00 86 G 8.77 4.06 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 0.00 0.00 0.00 *88 D 8.10 4.81 0.00 2.71 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 89 D 7.79 4.54 0.00 2.72 2.58 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 0.00 0.00 0.00 0.00 90 P 0.00 4.29 0.00 2.17 2.05 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 91 C 8.06 4.16 0.00 2.93 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 92 K 7.96 3.87 0.00 1.91 1.95 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.81 1.59 7.81 93 K 8.08 3.86 0.00 1.96 1.85 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.35 7.81 94 E 7.97 3.80 0.00 2.05 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 2.21 2.26 0.00 95 V 7.77 3.55 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 0.80 0.00 0.00 0.95 0.00 0.00 96 C 7.47 2.87 0.00 1.85 2.77 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 97 E 7.89 3.65 0.00 1.90 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 2.47 2.33 0.00 98 C 7.64 4.13 0.00 3.13 2.93 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 99 D 7.64 3.60 0.00 2.75 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 0.00 100 K 8.00 3.71 0.00 1.73 1.82 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.35 7.81 101 A 8.06 3.90 1.29 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 0.00 0.00 0.00 102 A 7.70 3.49 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 0.00 103 A 8.28 4.09 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 0.00 104 I 7.69 3.77 1.94 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 1.43 0.93 0.90 0.00 0.00 105 C 7.97 4.21 0.00 2.94 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 0.00 106 F 7.68 4.39 0.00 3.05 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 0.00 107 R 8.05 4.12 0.00 2.09 2.14 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 108 D 8.17 4.45 0.00 2.71 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 0.00 109 N 7.71 4.94 0.00 2.82 2.89 0.00 0.00 6.51 6.45 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 0.00 110 L 7.73 4.06 0.00 1.97 1.74 1.08 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.24 4.01 0.00 1.80 1.88 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 112 T 7.83 4.50 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 113 Y 8.12 4.09 0.00 3.12 2.95 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 0.00 0.00 0.00 0.00 114 K 8.97 4.80 0.00 1.43 1.32 0.00 1.24 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.50 7.81 115 K 8.81 4.17 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.57 7.81 116 R 7.77 4.02 0.00 1.79 1.88 0.00 2.50 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.92 0.00 117 Y 7.48 4.59 0.00 2.31 1.64 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 0.00 118 M 7.67 4.32 0.00 2.49 2.34 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 2.65 2.66 0.00 119 A 8.41 3.95 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 0.00 120 Y 7.43 4.16 0.00 3.22 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 0.00 121 P 0.00 4.29 0.00 1.94 1.82 0.00 2.48 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 1.81 1.92 0.00 122 D 8.67 4.34 0.00 2.77 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 *124 I 7.60 4.07 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.43 0.88 0.00 0.00 125 L 7.56 4.33 0.00 1.41 1.65 0.45 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.93 4.61 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 127 S 8.63 4.32 0.00 3.86 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 0.00 128 S 8.60 4.20 0.00 3.91 3.91 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 0.00 129 K 7.56 4.40 0.00 1.68 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 130 S 8.38 5.34 0.00 3.89 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 0.00 131 E 8.19 4.16 0.00 1.85 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 2.24 2.13 0.00 132 K 8.48 4.71 0.00 1.71 1.77 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.57 7.81 133 C 8.73 4.36 0.00 2.89 2.86 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 * Residues marked with a * may have inaccurate shift predictions.