NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3864 8.4444 116.7600 55.1133 31.4941 174.9950 4 L 4.0950 8.6477 124.0123 54.9941 42.6447 174.5201 5 Q 4.7563 9.5807 125.3998 54.0903 32.4435 174.3755 6 V 4.5095 8.3095 122.0040 61.5125 33.9591 174.3147 7 I 4.5502 8.8571 130.7180 60.0147 39.3193 175.2394 8 Q 5.1700 8.8039 127.6216 52.6603 29.3327 174.7943 9 P 4.1146 0.0000 0.0000 65.2262 31.7432 176.8730 10 D 4.6556 7.3837 117.4073 53.1474 41.0985 176.3639 11 K 4.3595 8.7527 125.0505 59.3191 33.1265 177.1539 12 S 5.3161 7.7521 111.4360 57.1737 65.8846 173.8080 13 I 4.7631 9.2441 114.1303 59.2893 41.3469 173.7791 14 S 5.0899 8.6547 117.7734 56.6080 64.6298 173.1327 15 V 4.5368 8.5647 126.3419 60.7787 34.8343 174.3209 16 A 4.5104 8.5389 128.6516 51.1227 19.7476 176.7661 17 A 4.1478 7.8647 123.8658 54.2441 18.8421 177.6407 18 G 4.0427 9.3176 111.4802 44.4469 0.0000 173.5685 19 E 4.4495 8.1383 119.3352 55.5478 31.7112 175.4850 20 S 5.0653 8.3994 115.6272 57.5112 65.4496 173.2831 21 A 4.6670 8.6266 124.7473 50.4700 21.3419 175.5955 22 T 4.6493 8.3551 119.2453 61.8176 70.4236 173.9601 23 L 4.4390 8.4034 127.9438 53.2618 43.4564 175.4705 24 H 5.1526 8.7484 121.5044 55.0678 31.0575 175.0442 25 C 5.4303 9.1904 121.8147 55.8961 46.4694 172.6590 26 T 5.4098 9.0618 115.7568 60.2092 71.8702 173.5756 27 V 4.9304 8.9936 117.6432 60.6592 33.6039 175.9793 28 T 4.6063 8.2132 111.2045 61.8309 69.4788 174.1672 29 S 4.6384 7.8244 115.0351 57.5619 65.2453 173.3984 30 L 4.5337 8.4556 123.7017 54.7280 41.9677 176.5605 31 I 4.4900 7.4392 120.4073 58.4130 39.7437 173.8867 32 P 4.3363 0.0000 0.0000 61.9756 32.1800 176.2733 33 V 3.7619 8.1516 119.6517 61.8199 32.0866 175.5969 34 G 4.9703 8.2199 116.5250 44.0155 0.0000 169.9718 35 P 4.5131 0.0000 0.0000 62.5028 33.0524 174.9212 36 I 4.8583 7.9663 121.2002 59.9151 38.9714 175.1739 37 Q 4.8520 9.3977 124.6867 53.9513 33.1776 174.1169 38 W 5.3440 9.0907 121.9536 55.2348 31.7489 175.2546 39 F 5.4767 9.5306 122.2021 55.7397 43.0162 174.0081 40 R 4.3702 9.2172 122.9173 56.5610 30.9739 176.8404 41 G 4.2922 9.8123 112.6768 46.2965 0.0000 172.4776 42 A 4.1654 8.1792 121.8233 51.2877 19.6211 176.8645 43 G 3.9031 7.5774 108.3608 44.6369 0.0000 173.4454 44 P 4.2582 0.0000 0.0000 64.6205 31.3104 177.4279 45 G 4.0825 7.7990 107.0027 44.8260 0.0000 173.0844 46 R 4.0872 7.4134 115.8392 56.5618 29.9825 175.5359 47 E 4.6024 9.0105 120.7166 55.2081 31.3497 175.2854 48 L 4.2408 8.7615 126.8946 55.3366 42.2505 176.0371 49 I 3.9964 8.6815 127.1142 62.5701 39.4682 175.7006 50 Y 5.1172 7.6037 121.2109 56.4854 42.1674 173.1655 51 N 4.9009 7.9750 123.5390 50.9365 42.3288 175.0266 52 Q 3.9594 8.0679 126.5725 56.6029 26.9253 175.6628 *56 H 4.2831 7.5244 114.1709 54.1685 30.1366 174.4408 57 F 5.0710 8.1319 116.4875 55.8264 41.3475 174.7797 58 P 4.2902 0.0000 0.0000 65.3683 31.4149 177.4238 59 R 4.4150 8.0520 114.4565 55.8936 30.5399 175.1800 60 V 4.9500 7.4699 118.8649 61.3228 33.5739 174.8557 61 T 4.8309 8.4544 116.3039 60.0601 72.7283 172.7357 62 T 4.3916 8.2129 112.6379 61.1422 69.5731 174.9959 63 V 3.6758 8.4737 125.2585 65.7343 32.0848 176.3035 64 S 4.5627 7.7884 114.1474 56.5756 64.9631 172.6874 65 D 4.6226 8.2490 121.0689 53.3950 40.8682 176.0092 66 L 4.1375 8.5029 127.8325 57.5351 42.6147 178.2369 67 T 4.3127 7.7873 110.0095 59.4809 67.4983 174.5848 68 K 4.3430 7.5169 125.7846 56.2882 35.5708 175.5044 69 R 4.0125 8.6402 127.7625 58.4213 29.7895 173.4639 70 N 4.5460 8.9732 117.3221 51.8094 35.2139 172.4080 71 N 4.4907 7.8028 117.3968 55.2088 39.4341 174.4343 72 M 4.9516 8.4512 122.1559 54.8585 35.0728 173.5130 73 D 5.0149 7.8150 119.4662 52.5415 42.3159 176.0792 74 F 5.0432 9.1051 124.6881 57.2517 40.7863 175.6756 75 S 4.8414 8.8740 115.9787 59.0502 63.8763 173.5139 76 I 4.7823 8.3430 115.9156 58.9120 41.4266 173.9237 77 R 4.8089 8.6645 123.1062 54.5017 32.9645 174.0384 78 I 4.9423 8.6172 127.5664 59.4772 39.4016 175.3796 79 S 4.5206 8.8838 122.6457 56.7383 64.3719 173.4906 80 N 4.2300 8.3985 117.1810 54.7882 37.0252 174.1839 81 I 4.0263 7.9790 120.8720 61.7302 38.4883 176.2282 82 T 4.9549 8.8910 113.6986 58.7684 72.0898 172.9845 83 P 4.4449 0.0000 0.0000 65.5460 31.3361 178.7016 84 A 4.1210 7.6128 120.0881 54.4746 18.2666 177.7648 85 D 4.6934 8.3123 114.2446 54.5360 41.5031 176.9788 86 A 4.2898 7.9020 123.3292 51.3174 18.9784 177.8181 87 G 4.0349 7.4445 108.6964 45.4041 0.0000 170.6978 88 T 4.9894 7.7436 115.8784 62.2123 70.5882 173.6756 89 Y 5.2143 9.2296 124.3886 56.5145 40.6839 174.2755 90 Y 5.2337 9.8121 122.0220 56.2428 41.6075 172.1440 91 C 4.1267 8.7234 119.1523 53.8728 41.1777 172.7506 92 V 4.8136 8.5944 122.9092 60.8718 34.4550 174.0260 93 K 4.6597 9.0628 130.0488 55.8199 33.8456 175.2458 94 F 5.2223 9.4341 128.0631 56.3644 42.4023 175.2471 95 R 4.7556 9.0729 123.3348 55.3619 31.0520 175.0303 96 K 4.5257 8.7441 125.5507 56.3564 32.9102 176.1433 97 G 4.1102 8.3861 113.7697 45.1111 0.0000 171.7788 98 S 4.7384 8.2186 113.5749 55.5025 64.4582 171.9165 99 P 4.3590 0.0000 0.0000 65.0067 31.2279 175.6600 100 D 4.9354 7.5417 113.7061 50.8023 42.4543 174.5950 101 H 4.5959 8.4237 116.1604 56.3866 29.4604 175.2711 102 V 4.5845 8.9964 122.3861 60.6428 34.1536 174.4372 103 E 3.1135 8.9287 128.6769 56.8491 29.3931 175.1920 104 F 4.7376 8.7332 129.1650 59.3651 41.0670 175.5739 105 K 4.3140 7.5260 117.4561 55.2009 35.3759 173.6613 106 S 5.0772 8.3957 121.0717 56.0702 64.6783 173.6737 107 G 3.9720 8.9720 113.9069 45.4687 0.0000 173.4955 108 A 4.2346 8.6047 122.1824 53.1461 18.8176 178.9492 109 G 3.4587 8.7125 102.3104 45.5986 0.0000 172.9087 110 T 4.8472 8.5640 118.0445 61.3907 72.2901 172.6696 111 E 4.6709 9.2208 128.5995 55.5632 31.3813 174.7258 112 L 4.9978 9.2387 130.2184 53.8639 43.8115 175.0321 113 S 4.9322 8.9091 123.5177 57.1992 65.1186 173.5992 114 V 4.7274 8.1537 123.6895 60.9170 33.3116 175.5088 115 R 4.2060 8.8725 126.8504 56.5280 30.0392 176.7908 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 E 8.44 4.39 0.00 2.01 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 2.13 1.88 0.00 4 L 8.65 4.09 0.00 1.90 1.92 1.07 0.49 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 5 Q 9.58 4.76 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 6 V 8.31 4.51 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 1.04 0.00 0.00 0.98 0.00 0.00 7 I 8.86 4.55 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.94 0.00 0.00 8 Q 8.80 5.17 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.63 2.15 0.00 9 P 0.00 4.11 0.00 2.19 2.20 0.00 4.01 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 2.01 2.01 0.00 10 D 7.38 4.66 0.00 2.82 2.69 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 11 K 8.75 4.36 0.00 1.72 1.87 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.46 7.81 12 S 7.75 5.32 0.00 3.88 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 13 I 9.24 4.76 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.90 0.00 0.00 14 S 8.65 5.09 0.00 3.85 3.74 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 15 V 8.56 4.54 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 0.98 0.00 0.00 0.86 0.00 0.00 16 A 8.54 4.51 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 17 A 7.86 4.15 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 18 G 9.32 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 19 E 8.14 4.45 0.00 1.98 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 2.27 2.41 0.00 20 S 8.40 5.07 0.00 3.70 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 21 A 8.63 4.67 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.65 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 0.99 0.00 0.00 23 L 8.40 4.44 0.00 0.58 0.93 -0.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.75 5.15 0.00 3.23 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 9.19 5.43 0.00 3.16 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 26 T 9.06 5.41 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 1.28 0.00 0.00 27 V 8.99 4.93 2.19 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 0.75 0.00 0.00 1.33 0.00 0.00 28 T 8.21 4.61 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 1.25 0.00 0.00 29 S 7.82 4.64 0.00 3.84 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 30 L 8.46 4.53 0.00 1.70 1.72 0.96 0.90 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 31 I 7.44 4.49 1.86 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 1.35 0.88 0.86 0.00 0.00 32 P 0.00 4.34 0.00 1.87 1.75 0.00 3.25 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.00 33 V 8.15 3.76 2.05 0.00 0.00 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 0.92 0.00 0.00 34 G 8.22 4.97 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 35 P 0.00 4.51 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 36 I 7.97 4.86 1.27 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.12 0.72 0.00 0.00 37 Q 9.40 4.85 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 38 W 9.09 5.34 0.00 3.36 3.21 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 0.00 39 F 9.53 5.48 0.00 3.08 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 40 R 9.22 4.37 0.00 1.39 1.69 0.00 2.99 0.00 0.00 2.98 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.00 41 G 9.81 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 0.00 0.00 0.00 0.00 42 A 8.18 4.17 0.57 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 0.00 0.00 43 G 7.58 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 44 P 0.00 4.26 0.00 2.15 2.15 0.00 3.68 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 1.95 1.93 0.00 45 G 7.80 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 46 R 7.41 4.09 0.00 2.06 1.99 0.00 2.21 0.00 0.00 2.80 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 47 E 9.01 4.60 0.00 1.97 1.92 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 0.00 2.31 2.27 0.00 48 L 8.76 4.24 0.00 1.83 1.75 0.63 1.17 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 49 I 8.68 4.00 2.19 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 1.41 1.27 0.96 0.00 0.00 50 Y 7.60 5.12 0.00 3.09 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 51 N 7.97 4.90 0.00 2.54 2.42 0.00 0.00 7.12 7.08 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 52 Q 8.07 3.96 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.39 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 *56 H 7.52 4.28 0.00 2.95 2.90 0.00 7.14 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.13 5.07 0.00 3.26 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 58 P 0.00 4.29 0.00 2.09 2.16 0.00 3.87 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 2.11 2.17 0.00 59 R 8.05 4.41 0.00 1.87 1.92 0.00 3.10 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 60 V 7.47 4.95 2.27 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 0.49 0.00 0.00 1.00 0.00 0.00 61 T 8.45 4.83 4.18 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 1.20 0.00 0.00 62 T 8.21 4.39 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 1.15 0.00 0.00 63 V 8.47 3.68 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 0.73 0.00 0.00 0.83 0.00 0.00 64 S 7.79 4.56 0.00 3.78 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 65 D 8.25 4.62 0.00 2.60 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 66 L 8.50 4.14 0.00 1.77 1.84 1.26 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.79 4.31 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 68 K 7.52 4.34 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.42 7.81 69 R 8.64 4.01 0.00 1.87 1.71 0.00 3.39 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 70 N 8.97 4.55 0.00 2.92 2.88 0.00 0.00 6.71 7.99 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 71 N 7.80 4.49 0.00 2.63 2.71 0.00 0.00 6.85 8.95 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 72 M 8.45 4.95 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 73 D 7.81 5.01 0.00 2.58 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 74 F 9.11 5.04 0.00 3.07 3.23 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 75 S 8.87 4.84 0.00 3.80 3.84 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 76 I 8.34 4.78 1.38 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.46 0.51 0.00 0.00 77 R 8.66 4.81 0.00 1.68 1.63 0.00 2.96 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 78 I 8.62 4.94 1.64 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.28 0.81 0.00 0.00 79 S 8.88 4.52 0.00 3.82 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 80 N 8.40 4.23 0.00 2.94 2.80 0.00 0.00 6.97 7.82 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 81 I 7.98 4.03 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.88 0.00 0.00 82 T 8.89 4.95 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 1.21 0.00 0.00 83 P 0.00 4.44 0.00 2.21 2.17 0.00 3.61 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 2.12 2.11 0.00 84 A 7.61 4.12 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 85 D 8.31 4.69 0.00 2.78 2.81 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 86 A 7.90 4.29 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 87 G 7.44 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 0.00 0.00 0.00 88 T 7.74 4.99 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 0.80 0.00 0.00 89 Y 9.23 5.21 0.00 2.96 3.28 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 90 Y 9.81 5.23 0.00 2.92 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 91 C 8.72 4.13 0.00 1.81 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 92 V 8.59 4.81 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 0.71 0.00 0.00 1.10 0.00 0.00 93 K 9.06 4.66 0.00 1.89 1.84 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.56 1.57 7.81 94 F 9.43 5.22 0.00 3.05 2.97 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 95 R 9.07 4.76 0.00 1.45 1.79 0.00 3.27 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 1.52 1.44 0.00 96 K 8.74 4.53 0.00 1.89 1.76 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 97 G 8.39 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 98 S 8.22 4.74 0.00 3.80 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 99 P 0.00 4.36 0.00 2.07 2.09 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 100 D 7.54 4.94 0.00 2.69 2.59 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 0.00 0.00 0.00 0.00 101 H 8.42 4.60 0.00 3.10 3.43 0.00 5.65 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 0.00 102 V 9.00 4.58 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 0.93 0.00 0.00 1.03 0.00 0.00 103 E 8.93 3.11 0.00 1.49 1.62 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 1.99 1.74 0.00 104 F 8.73 4.74 0.00 2.96 3.10 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 0.00 0.00 0.00 0.00 105 K 7.53 4.31 0.00 1.40 1.50 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.19 7.81 106 S 8.40 5.08 0.00 3.77 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 0.00 107 G 8.97 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 0.00 108 A 8.60 4.23 1.32 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 0.00 0.00 0.00 109 G 8.71 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 0.00 0.00 0.00 110 T 8.56 4.85 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 1.28 0.00 0.00 111 E 9.22 4.67 0.00 2.10 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 2.31 2.34 0.00 112 L 9.24 5.00 0.00 1.75 1.86 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.91 4.93 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.73 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 0.96 0.00 0.00 115 R 8.87 4.21 0.00 1.79 1.81 0.00 3.20 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.