NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7491 8.3027 120.3291 55.4904 31.4319 173.6365 2 L 4.0938 8.0863 126.0601 57.7752 41.6413 174.5851 3 V 3.7624 9.2156 119.2378 66.0547 31.8790 177.4100 4 Q 4.0757 7.9585 117.4236 58.5283 28.6735 177.9266 5 F 4.4563 8.7908 122.3947 61.3181 39.4502 176.6834 6 N 4.3274 8.3510 116.5302 56.5818 38.5561 177.1513 7 G 3.8342 7.5534 107.4195 47.4743 0.0000 175.3230 8 M 4.3613 8.2936 121.3088 58.3401 31.9532 178.7943 9 I 3.4987 7.5895 119.8301 64.3335 37.3434 177.8515 10 R 4.4073 7.9504 117.2090 57.6701 29.4846 177.1994 11 C 4.4447 8.4350 118.9760 60.1926 43.5833 174.9625 12 T 4.1693 7.8018 109.4254 62.2571 70.3686 174.6844 13 I 4.4880 8.2286 123.2579 57.7905 37.5488 173.6274 14 P 4.4239 0.0000 0.0000 64.6853 31.5196 177.7992 15 G 3.8601 8.0084 103.6555 45.8177 0.0000 173.4908 16 S 4.6496 7.6746 114.6799 57.6005 64.7184 174.4789 17 I 4.5039 8.5811 121.9944 58.2398 37.3035 174.1532 18 P 4.3912 0.0000 0.0000 65.3965 31.7189 178.9481 19 W 4.4682 8.2519 113.4304 58.4660 27.8032 176.2583 20 W 4.4261 7.0757 127.3710 59.0657 31.4900 177.0620 21 D 3.8435 8.0916 117.2169 57.3320 40.0642 177.6626 22 Y 4.6716 7.1785 112.6256 57.7359 38.3769 176.9298 23 S 4.4858 7.6691 115.3600 60.3348 64.0314 173.6658 24 D 4.7778 7.4420 120.3412 53.0477 42.0924 171.3145 25 Y 4.8101 8.7650 122.7035 55.9144 42.6490 175.2828 26 G 3.7256 8.3373 116.3148 47.0862 0.0000 173.3538 27 C 4.4792 9.4453 116.2950 57.5765 41.0742 174.5898 28 Y 4.3448 8.7804 114.7765 57.4324 39.9027 174.8629 29 C 4.5535 8.3693 118.5948 58.1115 40.3830 172.1827 30 G 4.2796 9.1395 109.6377 44.2592 0.0000 172.4170 31 S 3.9454 8.6116 113.2800 59.8177 62.3872 175.2727 32 G 3.9329 9.1070 115.7408 44.8825 0.0000 172.4471 33 G 4.4139 7.8822 106.7297 45.9101 0.0000 172.4209 34 S 4.3664 7.5882 115.9143 58.5144 65.3006 176.4941 35 G 3.8162 8.6757 111.6913 45.0935 0.0000 172.1266 36 T 4.5267 8.2191 115.6474 61.4249 69.7019 173.1674 37 P 4.7987 0.0000 0.0000 63.0552 32.0311 176.9905 38 V 3.8616 8.7415 115.0617 63.8197 32.1883 175.4062 39 D 4.6891 7.5847 116.9751 50.9913 42.3554 175.0627 40 E 3.9179 8.9154 118.2660 59.5335 29.3185 178.4639 41 L 3.7301 7.8937 119.8417 58.1513 42.1526 178.2944 42 D 4.4701 8.9992 118.4151 57.4299 41.1707 178.4354 43 R 3.9215 8.0586 118.7256 59.2703 30.0174 178.2638 44 C 4.3618 8.0870 116.4590 60.4209 36.9485 175.5833 45 C 4.4012 8.0786 117.5955 59.6105 38.9027 176.0163 46 Q 3.3354 7.8903 121.6476 58.8208 28.5139 178.2700 47 V 3.4810 7.6993 119.2529 66.2307 31.5872 177.3790 48 H 3.9075 8.2148 117.9071 59.2946 29.6674 176.7318 49 D 4.3474 8.4316 120.9998 57.6042 40.8356 178.5061 50 N 4.3566 8.1736 117.3704 56.7858 38.9947 176.0888 51 C 4.4010 8.4132 120.1021 59.8687 38.0937 175.2552 52 Y 4.0614 8.1159 118.5287 61.3548 37.2401 178.3164 53 T 4.6586 7.7891 117.0218 66.1886 68.8045 176.3353 54 Q 4.1432 8.2533 119.5447 58.4523 28.7484 178.2179 55 A 3.7778 7.9334 121.5052 54.8920 18.5400 179.0047 56 Q 4.3501 7.9140 114.8125 57.5499 28.6258 177.5559 57 Q 4.3197 7.6495 118.4412 55.7742 29.5382 175.8737 58 L 4.2036 6.6756 119.6202 53.8842 42.4622 176.5937 59 T 3.9600 8.1577 110.5506 62.9692 69.9660 174.6541 60 E 3.6618 8.6590 122.8604 57.5767 27.1230 176.3180 61 C 4.4795 7.3028 117.1018 54.7059 47.6793 172.4655 *67 S 4.8605 8.7677 121.0679 57.4563 62.3183 172.4316 68 P 3.9425 0.0000 0.0000 64.8947 31.5492 177.3908 69 Y 4.3020 7.3129 117.2883 60.6886 38.2002 177.3127 70 S 4.3183 7.8226 113.6668 59.3480 64.1117 174.0552 71 K 3.7627 7.8592 121.2679 56.8295 31.8092 175.9685 72 R 4.1167 8.4442 126.0354 55.3514 30.9815 175.4760 73 Y 4.8709 7.1873 118.5819 55.0897 40.9907 174.3337 74 S 5.1107 8.7013 114.4358 56.8944 64.5399 172.2494 75 Y 5.3910 8.6490 123.7588 55.8674 42.0745 172.9777 76 D 4.5440 9.1201 118.4510 52.6581 45.1734 173.3953 77 C 5.4074 8.6685 124.5481 54.9355 40.6725 172.3018 78 S 4.4292 8.8827 120.7497 57.1396 62.3197 174.3403 79 E 3.7104 9.4577 128.5616 57.3038 26.3478 175.8619 80 G 4.0252 8.3017 106.2705 45.1397 0.0000 172.9150 81 T 4.4206 7.4338 115.0839 60.5805 68.4852 172.9849 82 L 5.3382 8.2944 127.9766 53.6103 44.4659 176.2020 83 T 4.5469 8.7491 118.7770 62.4793 73.1112 172.5333 84 C 4.9139 8.9121 124.8641 55.8546 38.6704 173.7923 85 K 4.2655 8.5838 123.9590 56.2616 32.5819 178.5251 86 A 3.7847 8.6538 124.1587 54.9029 19.0392 178.3765 87 D 4.8059 7.2978 117.3025 53.6361 39.5393 176.4438 88 N 5.0270 7.4907 115.0666 50.7682 43.1936 175.5888 89 D 4.7544 8.6006 122.7333 51.9304 42.5148 177.3069 90 E 3.9078 8.6314 118.0532 60.0143 29.1991 180.0126 91 C 4.2016 8.2443 118.9175 59.0616 42.9009 174.9344 92 A 4.0756 8.6473 122.4331 55.2595 17.9092 179.4636 93 A 3.8826 8.4168 119.4974 55.1737 18.4358 179.6578 94 F 3.8441 8.1168 118.8278 61.5372 39.6110 177.4906 95 V 3.5306 8.4258 118.2526 65.9801 31.1966 177.1838 96 C 2.9672 8.2056 118.5338 59.4288 42.2275 175.2896 97 D 4.1008 7.9119 120.5084 57.3483 40.4072 177.8152 98 C 3.9073 7.9091 117.0556 60.3231 36.6169 176.0557 99 D 3.7801 7.7757 119.6426 57.1955 40.4672 178.6869 100 R 3.7782 8.0327 119.5711 59.6241 30.0341 178.6209 101 V 3.5023 7.9856 117.9154 65.9395 31.4000 177.8705 102 A 3.9261 7.8351 120.0201 54.8934 18.2182 179.4744 103 A 3.4650 8.3751 119.6908 55.2855 18.2235 180.0027 104 I 3.6897 7.4786 117.3165 64.4472 36.9620 177.5555 105 C 4.4502 8.1910 119.4578 59.6620 38.1449 175.6244 106 F 4.0575 8.7040 119.5669 60.6320 38.2584 177.5214 107 A 4.1517 7.8451 118.7385 54.6215 18.2463 178.9632 108 G 3.8067 7.6910 100.6459 44.2124 0.0000 173.4024 109 A 4.7854 6.9716 123.9585 49.2880 21.1216 175.1974 110 P 4.3373 0.0000 0.0000 62.7743 32.1033 175.7957 111 Y 4.2775 8.4764 122.3783 56.4484 38.4946 175.0567 112 N 4.7087 8.5434 127.1387 51.2712 38.1426 176.2282 113 K 3.9316 8.5414 124.7015 59.0988 32.3159 179.0409 114 E 4.0121 7.9740 114.7625 58.0317 29.9872 176.9379 115 N 4.3738 8.0774 117.3318 52.8232 38.7839 174.3570 116 I 3.9756 6.9154 120.1000 61.7118 38.4622 175.4909 117 N 4.4937 8.9158 122.4702 53.2382 37.5863 173.8820 118 I 4.0322 6.9807 110.3882 60.0254 39.5133 176.8931 119 D 4.5742 8.2140 121.9986 54.4303 38.9016 176.6772 120 T 4.0481 7.9852 113.9513 63.0172 69.2799 177.1545 121 T 4.1204 7.7186 112.4060 63.7165 69.0334 175.1566 122 T 4.5266 7.7196 109.1404 61.0502 70.0326 174.5864 123 R 4.3851 7.9120 119.4061 56.6411 31.1063 176.8496 124 C 4.4990 7.6948 119.2711 57.0772 42.2716 173.6469 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 4.75 0.00 3.03 3.04 0.00 5.65 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 2 L 8.09 4.09 0.00 1.89 1.85 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.22 3.76 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 1.02 0.00 0.00 0.97 0.00 0.00 4 Q 7.96 4.08 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 5 F 8.79 4.46 0.00 3.23 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.35 4.33 0.00 3.17 3.12 0.00 0.00 7.07 7.33 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 7 G 7.55 3.83 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 0.00 8 M 8.29 4.36 0.00 2.07 2.30 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 2.39 2.36 0.00 9 I 7.59 3.50 1.82 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.29 0.86 0.00 0.00 10 R 7.95 4.41 0.00 2.13 1.96 0.00 3.13 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 11 C 8.44 4.44 0.00 3.26 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.80 4.17 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 1.25 0.00 0.00 13 I 8.23 4.49 2.00 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 1.31 1.01 0.94 0.00 0.00 14 P 0.00 4.42 0.00 2.04 2.15 0.00 3.73 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 15 G 8.01 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 0.00 0.00 0.00 16 S 7.67 4.65 0.00 4.08 3.94 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 0.00 0.00 0.00 17 I 8.58 4.50 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.39 0.00 0.00 18 P 0.00 4.39 0.00 2.58 2.24 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 19 W 8.25 4.47 0.00 3.70 3.45 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 20 W 7.08 4.43 0.00 1.78 2.33 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 0.00 21 D 8.09 3.84 0.00 1.66 1.54 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 0.00 22 Y 7.18 4.67 0.00 3.10 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 23 S 7.67 4.49 0.00 4.16 4.36 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 24 D 7.44 4.78 0.00 2.61 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 0.00 0.00 0.00 0.00 25 Y 8.77 4.81 0.00 2.90 2.66 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 26 G 8.34 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 27 C 9.45 4.48 0.00 3.08 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 28 Y 8.78 4.34 0.00 3.25 2.94 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 0.00 0.00 0.00 29 C 8.37 4.55 0.00 3.39 3.38 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 0.00 30 G 9.14 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 31 S 8.61 3.95 0.00 3.89 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 9.11 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 33 G 7.88 4.41 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 34 S 7.59 4.37 0.00 3.70 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 35 G 8.68 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 T 8.22 4.53 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 37 P 0.00 4.80 0.00 2.09 2.05 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 38 V 8.74 3.86 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 0.68 0.00 0.00 0.95 0.00 0.00 39 D 7.58 4.69 0.00 2.84 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 40 E 8.92 3.92 0.00 2.06 1.99 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 2.37 2.37 0.00 41 L 7.89 3.73 0.00 1.53 1.42 -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.00 4.47 0.00 3.15 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 43 R 8.06 3.92 0.00 2.11 1.94 0.00 3.18 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 44 C 8.09 4.36 0.00 3.26 3.54 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 0.00 45 C 8.08 4.40 0.00 3.27 3.45 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 46 Q 7.89 3.34 0.00 1.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.05 1.68 0.00 47 V 7.70 3.48 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 0.96 0.00 0.00 0.88 0.00 0.00 48 H 8.21 3.91 0.00 3.29 3.38 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 49 D 8.43 4.35 0.00 3.01 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 50 N 8.17 4.36 0.00 2.75 2.94 0.00 0.00 6.90 7.51 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 51 C 8.41 4.40 0.00 3.08 3.11 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 52 Y 8.12 4.06 0.00 3.17 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 53 T 7.79 4.66 4.46 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 1.26 0.00 0.00 54 Q 8.25 4.14 0.00 2.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 55 A 7.93 3.78 1.38 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 0.00 0.00 0.00 56 Q 7.91 4.35 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 57 Q 7.65 4.32 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 58 L 6.68 4.20 0.00 1.56 1.47 0.38 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.16 3.96 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 1.17 0.00 0.00 60 E 8.66 3.66 0.00 2.04 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 2.23 2.21 0.00 61 C 7.30 4.48 0.00 2.97 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 *67 S 8.77 4.86 0.00 3.95 3.78 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 68 P 0.00 3.94 0.00 0.49 1.21 0.00 3.41 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 69 Y 7.31 4.30 0.00 3.06 3.02 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 70 S 7.82 4.32 0.00 3.91 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 71 K 7.86 3.76 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.36 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.53 7.81 72 R 8.44 4.12 0.00 1.81 1.76 0.00 3.17 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 73 Y 7.19 4.87 0.00 3.08 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 74 S 8.70 5.11 0.00 4.01 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 75 Y 8.65 5.39 0.00 3.18 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 76 D 9.12 4.54 0.00 2.60 2.44 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 77 C 8.67 5.41 0.00 3.07 2.94 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 0.00 0.00 0.00 78 S 8.88 4.43 0.00 3.94 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 79 E 9.46 3.71 0.00 2.11 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 2.21 2.23 0.00 80 G 8.30 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 81 T 7.43 4.42 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 1.25 0.00 0.00 82 L 8.29 5.34 0.00 1.58 1.60 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.75 4.55 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 1.22 0.00 0.00 84 C 8.91 4.91 0.00 2.79 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 85 K 8.58 4.27 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 86 A 8.65 3.78 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 87 D 7.30 4.81 0.00 2.72 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 88 N 7.49 5.03 0.00 2.67 2.79 0.00 0.00 7.22 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 89 D 8.60 4.75 0.00 2.96 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 90 E 8.63 3.91 0.00 2.20 2.28 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 2.36 2.37 0.00 91 C 8.24 4.20 0.00 2.99 3.26 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 92 A 8.65 4.08 1.47 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 0.00 0.00 93 A 8.42 3.88 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 94 F 8.12 3.84 0.00 3.30 3.15 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 0.00 0.00 0.00 0.00 95 V 8.43 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 96 C 8.21 2.97 0.00 2.54 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 97 D 7.91 4.10 0.00 2.52 2.47 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 98 C 7.91 3.91 0.00 3.12 3.02 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 99 D 7.78 3.78 0.00 2.69 2.79 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 0.00 100 R 8.03 3.78 0.00 1.75 1.80 0.00 3.06 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 101 V 7.99 3.50 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 0.89 0.00 0.00 0.88 0.00 0.00 102 A 7.84 3.93 1.17 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 0.00 103 A 8.38 3.46 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 0.00 104 I 7.48 3.69 1.97 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 1.39 0.66 0.90 0.00 0.00 105 C 8.19 4.45 0.00 3.20 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.06 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.15 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 0.00 108 G 7.69 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 0.00 0.00 0.00 109 A 6.97 4.79 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 0.00 110 P 0.00 4.34 0.00 2.23 2.09 0.00 3.76 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 2.01 1.97 0.00 111 Y 8.48 4.28 0.00 2.91 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 0.00 112 N 8.54 4.71 0.00 2.83 3.20 0.00 0.00 6.70 7.84 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 0.00 113 K 8.54 3.93 0.00 1.78 1.86 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.52 7.81 114 E 7.97 4.01 0.00 1.98 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 2.15 2.20 0.00 115 N 8.08 4.37 0.00 1.98 1.87 0.00 0.00 6.84 7.33 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 0.00 116 I 6.92 3.98 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.21 0.74 0.00 0.00 117 N 8.92 4.49 0.00 2.59 2.67 0.00 0.00 7.17 8.44 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 0.00 118 I 6.98 4.03 1.76 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 1.12 0.47 0.70 0.00 0.00 119 D 8.21 4.57 0.00 2.69 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 0.00 120 T 7.99 4.05 4.16 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 0.00 0.00 0.00 1.21 0.00 0.00 121 T 7.72 4.12 4.22 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 1.19 0.00 0.00 122 T 7.72 4.53 4.22 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 1.19 0.00 0.00 123 R 7.91 4.39 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 124 C 7.69 4.50 0.00 2.92 2.94 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.