NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9038 8.3549 109.7362 45.6433 0.0000 174.6265 4 D 4.3926 7.8388 119.1913 53.2491 41.8685 174.0279 5 T 4.6315 8.1595 117.5808 62.5137 70.9512 174.0090 6 T 5.4546 8.7310 116.3943 59.4165 72.0315 173.0641 7 I 4.6953 7.9361 114.1894 60.2150 41.5597 173.3409 8 T 5.1507 8.3967 118.5488 61.8018 71.5041 173.3931 9 I 4.5367 8.8405 126.6456 59.0646 41.1996 173.8871 10 V 5.1365 7.5591 128.8592 60.6721 33.3633 174.8621 11 G 3.9831 7.8183 112.8066 46.5342 0.0000 170.9824 12 N 6.2038 7.7582 115.9498 50.4038 41.7840 174.9969 13 L 4.6302 8.2937 122.2375 55.2916 42.5132 177.9325 14 T 4.3626 8.6988 112.8696 62.9546 69.4171 174.2663 15 A 4.3692 7.7026 122.3351 51.3410 21.6651 175.5102 16 D 4.4555 8.8011 119.5589 54.2732 41.4083 175.2536 17 P 4.6620 0.0000 0.0000 62.5333 32.2944 175.9770 18 E 4.0274 9.0606 125.2621 56.4092 30.2718 176.1263 19 L 4.3958 8.5156 128.5276 53.7552 42.4700 175.4707 20 R 4.8603 8.2817 124.7466 54.3303 33.6141 175.1378 21 F 5.2794 8.8373 118.6188 56.0367 42.3466 175.3681 22 T 4.5978 8.6377 111.4581 59.4105 70.5913 174.0069 23 P 4.3131 0.0000 0.0000 66.1404 30.9538 177.9109 24 S 4.2071 8.0269 111.5288 59.1730 63.0850 173.9166 25 G 4.1730 8.7322 109.2182 45.7778 0.0000 174.4522 26 A 4.1525 8.1828 121.5713 52.5889 19.3109 175.9168 27 A 4.2762 8.3753 122.3357 50.5970 21.6427 176.4039 28 V 4.1951 8.0512 119.3521 60.7935 35.0925 173.9337 29 A 5.0973 8.4281 129.4929 50.1912 21.4698 174.9051 30 N 5.2424 8.1386 119.6692 51.2936 42.2517 173.7649 31 F 4.9916 7.5507 114.3392 56.5613 41.9512 172.5233 32 T 5.0611 8.2760 110.7776 60.0864 71.2545 172.9566 33 V 4.3491 8.6853 126.4350 61.8828 33.6501 174.4470 34 A 4.3977 8.8784 130.0618 50.1896 20.9426 174.9005 35 S 4.7597 9.0702 118.6098 58.0624 64.0638 173.1455 36 T 4.8327 8.1985 123.1822 61.1503 71.3260 173.0343 37 P 4.4623 0.0000 0.0000 62.4101 31.5305 174.2863 38 R 4.7492 8.3108 117.0275 55.9923 32.4860 173.9121 39 I 4.4022 7.7931 115.2392 60.3738 38.2710 170.3277 *40 Y 4.7431 7.9553 113.8513 57.6224 40.7438 169.6020 41 D 4.3417 8.8167 116.7337 57.1237 38.6599 175.7617 *47 W 4.5589 7.8301 117.4636 55.4200 30.3187 178.6046 48 K 4.0045 7.5806 115.5216 56.6912 32.8291 172.8775 49 D 4.9047 8.9019 122.8749 54.2375 40.7857 175.3404 50 G 4.0140 8.8872 111.4972 47.5158 0.0000 173.6628 51 E 3.4756 9.6772 119.2467 55.5100 29.6471 174.7541 52 A 4.2849 9.4812 118.4720 52.8185 18.1636 177.8213 53 L 4.5862 8.6726 123.2597 53.9910 46.0231 174.1822 54 F 5.0508 9.2015 125.3285 55.9350 41.1079 174.7790 55 L 4.7806 8.8060 125.1967 52.5616 44.2445 176.5500 56 R 4.3533 8.7082 123.8220 56.5502 31.3274 175.6555 57 C 5.3692 9.2649 121.3062 57.9851 32.8933 172.8301 58 N 4.9665 8.3702 116.8412 51.7439 40.4152 173.3947 59 I 4.9392 8.4109 123.0181 59.0846 41.7939 173.7328 60 W 5.3601 8.1915 124.3129 55.4665 33.4775 176.2911 61 R 3.7433 8.7491 117.5241 57.3965 28.5256 178.2083 62 E 4.0435 8.8114 117.0455 60.4598 29.4158 178.7410 63 A 4.0163 8.1152 120.2579 55.0293 18.4164 179.3619 64 A 3.9596 7.8740 119.0451 55.3217 18.4264 179.6766 65 E 3.9793 7.9850 116.6270 59.2389 29.7629 179.0236 66 N 4.3371 8.3743 116.8088 56.1448 38.6203 177.4321 67 V 3.4887 8.1330 119.7841 66.0257 31.3994 177.6679 68 A 3.9671 7.7442 118.8882 55.1044 18.3548 178.4682 69 E 4.3115 8.4525 114.2268 56.6741 30.0465 176.4427 70 S 4.6962 7.8159 112.0230 58.7060 64.8804 173.8800 71 L 4.8000 7.7654 119.8849 52.9100 44.5872 175.6387 72 T 4.7119 7.8736 110.1390 59.6992 72.0758 173.1899 73 R 3.9327 8.3926 121.0418 57.4066 30.4113 178.5849 74 G 3.8962 8.6338 108.1685 46.2491 0.0000 174.3052 75 A 3.9514 7.7474 122.2976 52.6987 19.5301 176.6585 76 R 4.6636 8.6638 123.2018 55.8278 31.4077 175.5970 77 V 4.9109 9.2222 119.6886 59.5546 36.1525 174.5483 78 I 4.7835 8.3060 122.3254 59.5984 40.0954 175.1553 79 V 4.9114 8.5955 125.9787 61.1581 34.8662 173.7867 80 S 5.0817 9.2028 123.2194 56.8592 64.9660 172.7558 81 G 3.9675 8.4819 114.1693 45.9735 0.0000 170.9724 82 R 5.2242 8.5897 119.2543 54.1369 33.5286 175.4783 83 L 4.6091 8.6173 124.3453 54.7259 42.6042 176.7606 84 K 4.8325 9.3797 122.8162 54.5753 35.9823 175.3032 85 Q 5.0528 8.7314 121.3398 54.5249 31.8843 174.5080 86 R 4.7925 8.7733 119.6804 54.5368 34.2243 174.5367 87 S 5.1168 8.8167 119.9528 57.6943 65.4791 174.2136 *88 F 4.6039 8.9302 128.2850 57.4701 41.7955 170.5216 89 E 3.4316 7.5528 108.0202 57.7472 31.9219 171.8221 90 T 5.0641 7.6139 125.0934 66.8353 68.3552 173.1641 91 R 4.5628 7.3905 124.0490 53.3147 28.8036 175.4989 92 E 5.9143 7.4766 127.1234 57.6940 31.5751 177.5586 93 G 3.7987 7.3322 114.1844 45.5754 0.0000 176.7654 94 E 4.5931 9.6974 120.1361 55.3869 32.0387 175.6116 95 K 3.6887 8.3428 127.7280 55.7902 31.1309 175.1382 96 R 4.7456 8.0695 122.5239 54.5686 33.5225 173.9253 97 T 5.1435 8.4915 118.8440 60.4455 70.5622 172.8149 98 V 4.6435 8.5694 126.2567 61.4220 35.6472 173.5416 99 I 5.2992 8.2314 123.8151 59.5128 41.4160 173.8068 100 E 4.8950 9.4632 124.1452 55.0519 33.8238 173.9094 101 V 4.7290 8.7353 121.8364 61.2994 33.7942 174.6852 102 E 4.3722 9.1537 129.4211 55.5157 30.0732 176.3236 103 V 3.9168 8.1725 125.9971 63.3352 31.4821 175.4883 104 D 4.6828 9.5030 129.0258 56.6856 41.8765 176.3320 105 E 4.9195 7.9349 116.4042 54.8732 34.0877 174.0898 106 I 5.4193 7.6040 120.9235 60.8374 41.3004 173.7330 107 G 4.2799 8.2734 112.1595 44.3622 0.0000 170.7227 108 P 4.8342 0.0000 0.0000 62.6068 31.9803 175.9513 109 S 4.2971 9.1900 119.2916 57.5889 63.2517 173.9395 110 L 4.7602 8.1637 125.9193 54.8621 42.2517 177.9950 111 R 4.0126 7.4104 119.6648 58.1934 30.4414 176.2680 112 Y 4.9274 7.0454 113.9453 57.2914 38.9604 174.3283 113 A 4.3172 7.3942 121.1405 52.5059 21.9439 175.2394 114 T 4.7122 8.0925 107.7763 60.5047 72.0361 172.6701 115 A 4.3933 8.0265 120.9356 51.3575 21.5563 175.9499 116 K 4.2774 8.5400 120.9402 54.7893 32.8174 176.7471 117 V 3.8662 8.4226 127.5161 62.2783 31.4138 175.5153 118 N 4.8298 8.4583 125.5099 50.3218 38.4868 172.6415 119 K 4.3273 8.3570 125.1842 56.4812 32.9741 177.1752 120 A 4.1289 8.2979 122.7095 53.8169 18.8434 176.4843 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 G 8.35 3.90 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 0.00 0.00 0.00 4 D 7.84 4.39 0.00 2.76 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 5 T 8.16 4.63 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 6 T 8.73 5.45 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 1.22 0.00 0.00 7 I 7.94 4.70 1.88 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 1.36 0.51 0.92 0.00 0.00 8 T 8.40 5.15 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 9 I 8.84 4.54 1.88 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 1.11 1.48 0.94 0.00 0.00 10 V 7.56 5.14 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 0.97 0.00 0.00 0.91 0.00 0.00 11 G 7.82 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 0.00 0.00 0.00 12 N 7.76 6.20 0.00 2.72 2.88 0.00 0.00 6.97 6.09 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 13 L 8.29 4.63 0.00 1.55 1.69 0.72 0.24 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 14 T 8.70 4.36 4.37 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 1.49 0.00 0.00 15 A 7.70 4.37 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 16 D 8.80 4.46 0.00 2.68 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 17 P 0.00 4.66 0.00 1.96 2.15 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 18 E 9.06 4.03 0.00 1.92 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 2.32 2.26 0.00 19 L 8.52 4.40 0.00 1.57 1.60 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.28 4.86 0.00 1.75 1.76 0.00 3.17 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 21 F 8.84 5.28 0.00 2.84 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 22 T 8.64 4.60 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 1.47 0.00 0.00 23 P 0.00 4.31 0.00 2.23 2.29 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 24 S 8.03 4.21 0.00 4.05 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 25 G 8.73 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 26 A 8.18 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.28 0.72 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 28 V 8.05 4.20 1.43 0.00 0.00 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 0.31 0.00 0.00 29 A 8.43 5.10 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 30 N 8.14 5.24 0.00 2.59 2.56 0.00 0.00 6.23 8.01 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 31 F 7.55 4.99 0.00 3.00 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 32 T 8.28 5.06 4.39 0.00 0.00 0.00 0.00 0.00 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 33 V 8.69 4.35 2.16 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 0.96 0.00 0.00 1.08 0.00 0.00 34 A 8.88 4.40 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 35 S 9.07 4.76 0.00 3.89 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.83 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 1.24 0.00 0.00 37 P 0.00 4.46 0.00 2.04 2.05 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 38 R 8.31 4.75 0.00 1.86 1.92 0.00 3.09 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 39 I 7.79 4.40 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 0.59 0.91 0.00 0.00 *40 Y 7.96 4.74 0.00 2.26 2.03 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 41 D 8.82 4.34 0.00 2.75 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 *47 W 7.83 4.56 0.00 2.54 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 0.00 0.00 0.00 0.00 48 K 7.58 4.00 0.00 1.73 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 D 8.90 4.90 0.00 2.83 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 50 G 8.89 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 0.00 0.00 0.00 51 E 9.68 3.48 0.00 2.07 1.12 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 2.16 1.86 0.00 52 A 9.48 4.28 1.48 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 53 L 8.67 4.59 0.00 1.74 1.43 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.20 5.05 0.00 2.88 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 55 L 8.81 4.78 0.00 1.59 1.59 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.71 4.35 0.00 1.75 1.82 0.00 3.06 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 57 C 9.26 5.37 0.00 1.88 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.97 0.00 2.41 2.61 0.00 0.00 6.76 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 59 I 8.41 4.94 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 1.06 0.00 0.00 60 W 8.19 5.36 0.00 3.05 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 61 R 8.75 3.74 0.00 2.11 1.91 0.00 3.36 0.00 0.00 3.29 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 62 E 8.81 4.04 0.00 2.09 2.03 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 2.43 2.48 0.00 63 A 8.12 4.02 1.41 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 64 A 7.87 3.96 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 65 E 7.98 3.98 0.00 2.17 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 2.38 2.35 0.00 66 N 8.37 4.34 0.00 2.87 2.87 0.00 0.00 6.58 7.19 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 67 V 8.13 3.49 2.36 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 1.00 0.00 0.00 1.01 0.00 0.00 68 A 7.74 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.31 0.00 2.00 1.97 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 2.28 2.35 0.00 70 S 7.82 4.70 0.00 3.86 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 71 L 7.77 4.80 0.00 1.53 1.37 0.61 0.70 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 72 T 7.87 4.71 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 1.19 0.00 0.00 73 R 8.39 3.93 0.00 1.89 1.84 0.00 3.24 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 74 G 8.63 3.90 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 0.00 0.00 0.00 75 A 7.75 3.95 1.23 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 0.00 0.00 0.00 76 R 8.66 4.66 0.00 1.95 1.84 0.00 3.28 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 77 V 9.22 4.91 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 0.63 0.00 0.00 0.94 0.00 0.00 78 I 8.31 4.78 1.86 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 1.08 0.99 0.90 0.00 0.00 79 V 8.60 4.91 2.25 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 1.11 0.00 0.00 1.04 0.00 0.00 80 S 9.20 5.08 0.00 3.89 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 81 G 8.48 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 82 R 8.59 5.22 0.00 1.73 1.80 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 83 L 8.62 4.61 0.00 1.55 1.61 0.93 0.63 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 84 K 9.38 4.83 0.00 1.78 1.66 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.40 7.81 85 Q 8.73 5.05 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 86 R 8.77 4.79 0.00 1.77 1.82 0.00 3.08 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 87 S 8.82 5.12 0.00 3.71 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 *88 F 8.93 4.60 0.00 1.91 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 0.00 0.00 0.00 89 E 7.55 3.43 0.00 2.05 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 0.00 2.19 1.92 0.00 90 T 7.61 5.06 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 91 R 7.39 4.56 0.00 1.74 1.86 0.00 3.40 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 92 E 7.48 5.91 0.00 2.12 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 2.03 2.12 0.00 93 G 7.33 3.80 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 0.00 0.00 0.00 94 E 9.70 4.59 0.00 1.94 1.72 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 1.99 1.74 0.00 95 K 8.34 3.69 0.00 2.01 1.85 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 96 R 8.07 4.75 0.00 1.97 1.71 0.00 3.03 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 97 T 8.49 5.14 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 98 V 8.57 4.64 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 0.93 0.00 0.00 99 I 8.23 5.30 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.93 0.00 0.00 100 E 9.46 4.89 0.00 1.96 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 2.33 2.27 0.00 101 V 8.74 4.73 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 0.98 0.00 0.00 0.95 0.00 0.00 102 E 9.15 4.37 0.00 1.98 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 2.39 2.28 0.00 103 V 8.17 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 0.87 0.00 0.00 1.02 0.00 0.00 104 D 9.50 4.68 0.00 2.81 2.70 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 0.00 105 E 7.93 4.92 0.00 1.84 1.78 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 2.30 2.24 0.00 106 I 7.60 5.42 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.97 0.00 0.00 107 G 8.27 4.28 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 0.00 108 P 0.00 4.83 0.00 2.05 2.03 0.00 3.74 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 1.96 1.94 0.00 109 S 9.19 4.30 0.00 3.82 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 0.00 110 L 8.16 4.76 0.00 1.62 1.62 0.90 0.93 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 0.00 111 R 7.41 4.01 0.00 1.51 1.38 0.00 2.93 0.00 0.00 2.75 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 112 Y 7.05 4.93 0.00 2.98 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 0.00 113 A 7.39 4.32 1.23 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 0.00 0.00 0.00 114 T 8.09 4.71 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 0.00 115 A 8.03 4.39 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 0.00 116 K 8.54 4.28 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 117 V 8.42 3.87 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 0.76 0.00 0.00 0.92 0.00 0.00 118 N 8.46 4.83 0.00 2.77 2.61 0.00 0.00 6.96 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.36 4.33 0.00 1.74 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.30 4.13 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.