NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2480 8.3344 116.7854 58.4897 65.5021 173.0288 -7 D 5.1688 7.6425 125.9978 52.8057 41.4096 174.7310 -6 P 4.0345 0.0000 0.0000 65.6359 32.2280 177.7692 -5 S 5.0455 8.0893 111.0347 58.6010 63.0537 174.5337 -4 S 4.7277 8.3545 115.7401 58.1219 64.6387 176.0965 -3 I 4.2333 7.7932 122.6913 63.8742 37.3954 177.7079 -2 N 5.0611 7.6961 116.0865 52.5604 39.6799 176.5893 -1 G 4.0155 7.8792 103.1617 45.1321 0.0000 172.1217 -7 G 4.4888 7.6325 114.3978 43.7057 0.0000 173.3310 -6 I 3.7845 9.3180 128.6395 63.4359 38.9280 176.8692 -5 V 4.6955 7.8093 114.5347 62.5010 32.1537 176.2337 -4 V 4.3777 8.0745 119.2401 62.0219 33.7388 177.7965 -3 A 4.3833 8.0332 126.5913 55.2742 17.6954 179.1079 -2 M 4.8011 7.5761 116.9865 54.8604 33.6799 177.6893 -1 T 4.4055 7.6992 107.9617 61.8321 67.8698 171.9217 8 G 3.8953 8.5532 111.4646 44.4043 0.0000 171.5929 9 K 4.0267 8.6973 122.6488 56.7410 31.7200 176.9881 10 D 4.4738 8.7053 127.4784 54.5535 38.6961 173.2199 11 C 4.7289 7.4639 109.8490 57.5284 32.2453 172.5386 12 V 4.9911 7.9538 112.2248 59.7408 35.2808 174.6503 13 A 4.7246 8.5038 124.2783 50.1585 21.9244 175.3097 14 I 5.3441 8.0911 119.9537 59.4873 41.1110 173.9415 15 A 4.9478 8.4845 129.2305 50.8018 22.5877 174.1831 16 C 5.3848 8.2762 112.4385 57.4664 32.7039 173.3942 17 D 4.7319 8.4969 119.9857 52.8465 40.9258 175.7880 18 L 5.0435 8.0751 115.3298 53.5199 43.4736 176.8591 19 R 4.5635 8.0446 119.8829 56.4464 31.2987 176.0600 20 L 4.3519 8.7313 127.2278 54.2338 44.8784 174.4534 21 G 4.5979 8.3801 113.6971 44.3889 0.0000 170.9713 22 S 4.6473 8.7235 113.6359 57.0302 64.3516 175.0791 23 Q 3.5524 8.2220 130.3978 57.1251 27.1101 176.9480 24 S 4.1501 8.8858 121.5953 61.4841 63.4036 173.6052 25 L 4.0166 7.8827 123.3164 54.3335 41.3218 176.0353 26 G 3.9760 8.5466 116.2950 45.5472 0.0000 171.6504 27 V 4.1496 8.5097 122.8046 63.6468 33.3934 175.6686 28 S 4.7524 8.2414 113.5666 56.4771 65.0491 173.4520 29 N 5.3697 8.8269 123.2871 52.7519 37.4195 174.8172 30 K 4.5494 8.0079 114.4053 56.7877 33.5667 176.9612 31 F 4.5497 8.2943 124.0483 57.0551 37.8889 174.4018 32 E 4.0116 7.9882 126.0389 55.8614 30.2063 177.0755 33 K 4.2725 8.2070 119.5147 56.1075 33.9562 175.2391 34 I 4.7558 7.0383 120.9829 59.6845 39.2015 174.7198 35 F 4.9712 9.3790 123.9988 56.4244 44.2148 172.9219 36 H 4.8990 7.4880 112.9407 54.6881 31.7056 172.6845 *38 Y 4.6974 7.9377 116.6208 58.7251 39.1532 175.3322 39 G 3.8493 8.1721 116.5982 47.3733 0.0000 173.1605 40 H 4.6422 8.9022 120.5075 54.9479 29.0498 174.2496 41 V 4.2313 7.4470 121.5584 61.6985 33.1014 174.5294 42 F 5.0256 9.2061 126.7559 55.8013 41.7828 174.6241 43 L 5.2500 9.4890 124.4089 53.5668 45.2598 175.2041 44 G 4.5863 9.4630 114.0989 44.7703 0.0000 172.3987 45 I 5.1970 8.8992 123.7526 59.8167 40.9098 175.1262 46 T 4.4703 8.5276 117.1132 60.2368 71.7705 172.1438 47 G 4.1422 8.7808 105.2077 43.9768 0.0000 173.2375 48 L 4.0190 8.9593 124.2202 54.9237 42.6014 178.1746 49 A 4.1735 10.0055 128.9084 56.0103 18.1539 178.8750 50 T 3.8570 8.0154 110.6419 65.6876 67.2863 175.7153 51 D 4.4781 8.1857 120.1207 56.8832 41.0783 178.7757 52 V 3.6671 8.0413 119.1965 66.2703 31.6199 178.2207 53 T 3.8553 8.4473 115.7832 66.9472 68.2738 176.5507 54 T 3.7710 7.8830 117.5068 66.8942 68.4757 176.5229 55 L 3.3485 7.8732 120.8120 57.4081 41.5474 179.1539 56 N 4.3899 7.6105 117.7581 56.3119 38.9421 176.8423 57 E 3.9854 8.0551 119.8121 59.3993 29.3603 179.2111 58 M 3.7427 7.8967 118.6569 58.6473 32.2214 178.4225 59 F 4.2794 7.8940 118.0491 59.9510 38.8330 177.8893 60 R 3.9056 7.9618 120.1540 58.9617 29.8524 177.5067 61 Y 4.0445 7.8327 119.1297 60.9536 38.6458 178.6082 62 K 4.2335 8.5385 119.5033 59.8002 31.9305 179.6131 63 T 3.9224 8.2969 110.3988 64.7009 68.5248 176.4118 64 N 4.4193 8.4959 119.6852 56.2809 38.5323 177.3892 65 L 3.9764 7.7104 120.3697 57.7883 41.6812 178.7562 66 Y 3.9976 8.3309 119.7609 60.7510 38.5985 178.3616 67 K 4.4621 8.2273 121.7873 58.8370 32.0772 178.8512 68 L 3.9498 7.6168 118.4794 57.8525 41.6703 179.3556 69 K 4.0943 8.0503 117.2518 59.1718 32.1998 178.8757 70 E 3.9271 8.3356 117.6163 56.0396 30.5126 176.2034 71 E 3.8116 8.0588 117.7923 55.8965 27.2690 174.3985 72 R 4.4852 6.9240 114.9188 55.7534 31.4940 174.1313 73 A 4.2802 8.4826 122.7227 51.8074 19.2129 177.5144 74 I 3.8378 8.0561 120.4626 60.8919 38.3672 176.0938 75 E 4.5490 8.2752 124.9017 54.4043 32.4170 175.8287 76 P 4.3434 0.0000 0.0000 65.9843 30.9424 178.8956 77 E 4.0009 8.1703 116.7704 59.7206 29.4495 179.4946 78 T 3.8769 7.8219 115.1656 66.6460 68.6547 176.3084 79 F 4.0799 8.4620 122.8973 61.6457 39.2365 177.1449 80 T 3.6733 8.0151 115.2406 66.7894 68.1483 176.5812 81 Q 3.9041 7.6135 119.1634 58.7161 28.7271 178.4462 82 L 3.8755 7.7537 121.4721 57.9874 42.0679 179.2796 83 V 3.3263 7.5835 118.6330 65.7785 31.3754 177.9420 84 S 4.0687 8.0798 113.3073 61.5053 62.1355 176.3510 85 S 4.2501 8.3589 117.1412 61.4068 62.6344 176.5445 86 S 4.1828 8.0134 118.1436 61.3660 62.8566 176.3810 87 L 4.2752 8.0757 121.7680 57.9665 41.5629 178.6650 88 Y 3.9183 8.0833 118.5564 59.5135 38.5029 176.9504 89 E 4.1748 7.9691 119.0781 58.2268 29.9101 176.8960 90 R 4.4412 7.5263 118.2336 55.7359 31.0137 177.9058 91 R 3.1181 6.9828 120.7763 59.1105 29.7623 176.9290 92 F 4.7512 7.5187 112.4024 57.0618 39.7233 176.8366 93 G 4.1302 7.7255 108.1995 43.7310 0.0000 171.9631 94 P 4.0343 0.0000 0.0000 62.4857 32.4120 176.1526 95 Y 4.1145 7.7880 117.2588 58.0155 38.7442 176.7075 96 F 4.7283 8.9913 124.4716 56.4273 37.8074 174.8390 97 V 5.0868 7.8924 114.4399 59.3915 36.4260 175.7804 98 G 4.2504 8.6721 107.8662 43.6445 0.0000 170.7935 99 P 4.9023 0.0000 0.0000 63.5060 33.0721 176.6814 100 V 4.4257 8.8405 121.7848 61.6638 34.9651 173.6096 101 V 5.1091 8.6066 127.4677 61.3285 33.5086 174.5306 102 A 4.7820 9.4349 128.1558 49.6915 22.8873 175.4985 103 G 4.3987 7.9090 108.3522 46.6978 0.0000 171.5835 104 I 4.5799 7.9971 120.5265 58.9820 39.2113 175.7568 105 N 4.9601 8.7310 121.7947 53.4516 38.7781 174.3380 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.64 5.17 0.00 2.75 2.54 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 -6 P 0.00 4.03 0.00 1.04 1.39 0.00 3.24 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.63 0.00 -5 S 8.09 5.05 0.00 4.06 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 -4 S 8.35 4.73 0.00 3.78 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 -3 I 7.79 4.23 1.84 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 1.54 0.47 0.88 0.00 0.00 -2 N 7.70 5.06 0.00 2.78 2.78 0.00 0.00 7.62 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 -1 G 7.88 4.02 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 0.00 0.00 0.00 -7 G 7.63 4.49 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 0.00 0.00 0.00 -6 I 9.32 3.78 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 1.41 1.00 0.91 0.00 0.00 -5 V 7.81 4.70 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 1.00 0.00 0.00 0.93 0.00 0.00 -4 V 8.07 4.38 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.03 4.38 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 -2 M 7.58 4.80 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.70 4.41 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 8 G 8.55 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 9 K 8.70 4.03 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.71 4.47 0.00 2.82 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 11 C 7.46 4.73 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 12 V 7.95 4.99 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 0.75 0.00 0.00 0.91 0.00 0.00 13 A 8.50 4.72 1.11 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 14 I 8.09 5.34 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.73 0.00 0.00 15 A 8.48 4.95 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 16 C 8.28 5.38 0.00 3.03 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 17 D 8.50 4.73 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 18 L 8.08 5.04 0.00 1.61 1.78 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.04 4.56 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 20 L 8.73 4.35 0.00 1.56 1.41 0.75 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.38 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.65 0.00 3.73 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 23 Q 8.22 3.55 0.00 2.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 24 S 8.89 4.15 0.00 3.97 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 25 L 7.88 4.02 0.00 1.78 1.77 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.55 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 27 V 8.51 4.15 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 0.81 0.00 0.00 0.97 0.00 0.00 28 S 8.24 4.75 0.00 3.86 3.64 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 29 N 8.83 5.37 0.00 2.86 2.87 0.00 0.00 5.89 7.13 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 30 K 8.01 4.55 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.37 7.81 31 F 8.29 4.55 0.00 3.12 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 32 E 7.99 4.01 0.00 1.69 1.58 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 2.20 2.37 0.00 33 K 8.21 4.27 0.00 1.61 1.99 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.44 7.81 34 I 7.04 4.76 1.71 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 1.22 0.74 1.01 0.00 0.00 35 F 9.38 4.97 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 36 H 7.49 4.90 0.00 1.96 1.83 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.94 4.70 0.00 2.70 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 39 G 8.17 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 0.00 0.00 0.00 40 H 8.90 4.64 0.00 3.32 3.39 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.45 4.23 1.75 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 0.73 0.00 0.00 0.71 0.00 0.00 42 F 9.21 5.03 0.00 3.19 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 43 L 9.49 5.25 0.00 2.07 1.80 1.12 1.44 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 44 G 9.46 4.59 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 0.00 0.00 0.00 45 I 8.90 5.20 2.11 0.00 0.00 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 1.48 1.01 1.04 0.00 0.00 46 T 8.53 4.47 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 1.27 0.00 0.00 47 G 8.78 4.14 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 0.00 48 L 8.96 4.02 0.00 1.89 1.77 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.01 4.17 1.10 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 0.00 0.00 50 T 8.02 3.86 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 1.29 0.00 0.00 51 D 8.19 4.48 0.00 3.07 2.82 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 52 V 8.04 3.67 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 1.37 0.00 0.00 1.25 0.00 0.00 53 T 8.45 3.86 4.44 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 1.26 0.00 0.00 54 T 7.88 3.77 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 1.07 0.00 0.00 55 L 7.87 3.35 0.00 1.55 1.64 0.82 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.61 4.39 0.00 1.61 2.52 0.00 0.00 6.89 7.23 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 57 E 8.06 3.99 0.00 2.11 1.95 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 2.32 2.37 0.00 58 M 7.90 3.74 0.00 1.44 1.61 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 59 F 7.89 4.28 0.00 2.86 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 60 R 7.96 3.91 0.00 2.11 2.14 0.00 3.21 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.83 4.04 0.00 3.16 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 62 K 8.54 4.23 0.00 1.98 1.98 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.67 7.81 63 T 8.30 3.92 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 0.97 0.00 0.00 64 N 8.50 4.42 0.00 2.85 2.86 0.00 0.00 6.93 7.57 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 65 L 7.71 3.98 0.00 1.69 1.72 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.33 4.00 0.00 3.16 3.18 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 67 K 8.23 4.46 0.00 2.12 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 68 L 7.62 3.95 0.00 1.83 1.69 0.88 0.98 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 69 K 8.05 4.09 0.00 1.59 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 70 E 8.34 3.93 0.00 1.52 1.68 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 1.68 1.47 0.00 71 E 8.06 3.81 0.00 2.07 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 2.22 2.19 0.00 72 R 6.92 4.49 0.00 2.04 2.04 0.00 3.03 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 73 A 8.48 4.28 1.33 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 0.00 0.00 74 I 8.06 3.84 1.10 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.16 0.66 0.00 0.00 75 E 8.28 4.55 0.00 2.05 1.88 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 2.42 2.39 0.00 76 P 0.00 4.34 0.00 2.19 2.15 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 77 E 8.17 4.00 0.00 2.07 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 2.42 2.48 0.00 78 T 7.82 3.88 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 79 F 8.46 4.08 0.00 3.01 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 80 T 8.02 3.67 4.42 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 1.16 0.00 0.00 81 Q 7.61 3.90 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 82 L 7.75 3.88 0.00 1.68 1.54 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.58 3.33 1.75 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 0.73 0.00 0.00 -0.67 0.00 0.00 84 S 8.08 4.07 0.00 3.95 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 85 S 8.36 4.25 0.00 4.10 4.10 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 86 S 8.01 4.18 0.00 4.25 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 87 L 8.08 4.28 0.00 1.92 1.76 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.08 3.92 0.00 3.19 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 89 E 7.97 4.17 0.00 2.15 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 0.00 2.30 2.35 0.00 90 R 7.53 4.44 0.00 1.70 1.64 0.00 2.92 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.00 91 R 6.98 3.12 0.00 0.67 1.10 0.00 2.62 0.00 0.00 2.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.52 4.75 0.00 3.00 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 93 G 7.73 4.13 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 0.00 0.00 0.00 94 P 0.00 4.03 0.00 1.86 1.80 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 95 Y 7.79 4.11 0.00 2.89 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 96 F 8.99 4.73 0.00 3.08 3.05 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 0.00 0.00 0.00 0.00 97 V 7.89 5.09 2.18 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 0.80 0.00 0.00 1.06 0.00 0.00 98 G 8.67 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 0.00 0.00 0.00 0.00 99 P 0.00 4.90 0.00 1.96 2.05 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 100 V 8.84 4.43 2.14 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 0.95 0.00 0.00 0.97 0.00 0.00 101 V 8.61 5.11 2.14 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 1.00 0.00 0.00 1.04 0.00 0.00 102 A 9.43 4.78 1.21 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 0.00 0.00 103 G 7.91 4.40 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 0.00 104 I 8.00 4.58 1.91 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 1.33 0.98 0.93 0.00 0.00 105 N 8.73 4.96 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.