NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.7342 8.4293 120.4005 56.3981 30.0712 171.8558 -1 H 4.3829 8.2677 118.6567 53.2911 29.8163 174.6455 0 H 4.6943 8.2986 117.4707 54.0943 31.8516 173.3355 0 I 4.1343 7.8786 119.1707 60.1943 41.6516 175.6355 3 L 5.3165 8.2236 123.7230 53.4708 44.7579 175.0232 4 V 4.9471 8.9498 126.6081 61.3109 34.4213 173.4907 5 Y 5.0015 8.7628 128.6305 55.9561 41.4138 174.2196 6 S 5.5150 8.4023 119.4030 56.8174 66.8013 172.1768 7 T 4.9061 7.8688 111.5562 59.7922 71.5835 173.1423 8 F 4.5093 8.9274 120.5043 54.9347 43.2214 174.3704 9 P 4.4625 0.0000 0.0000 64.8030 31.8569 176.0005 10 N 4.7550 7.5813 115.4464 50.9231 40.8275 174.7094 11 E 2.5507 8.0128 120.5804 58.7833 29.3804 178.4885 12 E 3.7103 7.7111 118.1349 59.2327 29.6057 179.0874 13 K 3.7413 8.4253 119.6617 59.1500 32.2013 178.7158 14 A 2.6410 7.4586 120.7047 54.8159 18.2705 179.6906 15 L 3.5484 7.5562 117.4057 57.3128 41.6371 179.3410 16 E 3.7546 8.0067 119.5323 59.3289 29.6029 179.0232 17 I 3.6130 7.5406 120.0137 63.9832 37.0208 178.3624 18 G 2.9879 7.3918 106.6519 47.7627 0.0000 175.5546 19 R 3.9919 7.6981 121.4150 59.0149 30.1142 178.7391 20 K 4.0935 7.9779 118.2630 59.4752 32.0255 179.3998 21 L 3.9529 8.2922 119.7315 57.6393 41.5334 179.5422 22 L 4.0650 8.2420 119.2301 57.8143 41.3168 179.3853 23 E 4.0179 8.1773 117.9516 58.9164 29.4985 178.6098 24 K 4.2279 7.8729 115.5727 55.5225 32.5811 176.8086 25 R 3.8445 7.5381 117.1179 57.4018 27.9137 177.0580 26 L 4.4390 7.9209 118.0624 55.1241 42.5934 176.8641 27 I 4.7669 7.5748 109.3265 57.9259 40.6861 174.4808 28 A 4.3343 8.6328 122.6938 53.7610 20.0849 177.0997 29 C 4.9645 7.9175 113.3396 58.4711 35.0151 172.8470 30 F 5.6590 8.4582 118.4459 55.1707 41.0020 173.7635 31 N 5.2037 9.4584 117.3323 51.5864 41.6893 173.3743 32 A 5.5566 9.0112 124.9267 50.4776 22.4015 174.8492 33 F 4.4170 8.3198 113.3547 55.3054 41.6432 173.1462 34 E 3.3487 7.3500 121.6574 55.7477 30.1479 175.6923 35 I 4.7677 8.4131 118.7536 59.3585 41.6933 173.8784 36 R 5.1427 8.5731 121.8177 54.6993 32.0991 175.6727 37 S 4.9330 9.0484 116.7468 56.7931 67.0086 172.9476 38 G 4.7721 8.3998 106.5217 45.0767 0.0000 171.2428 39 Y 4.9191 7.3857 119.1312 55.7618 41.2027 172.9123 40 W 4.9446 9.2084 120.2522 56.2675 30.4459 176.3504 41 W 5.0527 9.6381 134.0835 56.9150 32.8454 174.8983 42 K 3.9239 9.4669 126.1878 57.3548 29.1736 175.9606 43 G 4.1544 9.0160 104.8058 45.0896 0.0000 173.4958 44 E 4.8651 8.1619 118.0839 54.2211 33.7449 175.0874 45 I 3.8462 7.6772 123.0604 60.8626 37.9854 175.7553 46 V 4.3104 8.3707 120.6640 59.5554 34.6109 174.7027 47 Q 4.8898 8.2976 121.8541 54.4466 30.9065 174.2368 48 D 4.8714 8.9484 121.5008 52.6203 45.9368 173.8566 49 K 5.0147 8.6137 119.6168 54.7731 34.9505 175.5359 50 E 5.0814 9.3555 123.8419 54.6127 34.8595 174.1070 51 W 4.7862 9.3815 119.7828 55.0933 32.0344 175.7353 52 A 4.6916 8.4126 126.4137 50.7440 20.9378 175.7301 53 A 4.9685 8.1130 120.5653 50.1911 23.0388 175.2111 54 I 4.6347 8.7120 116.1529 59.1716 40.3100 174.5043 55 F 5.5118 9.1144 125.0157 55.7580 41.6294 174.3776 56 K 5.1261 9.0580 123.6005 55.4208 34.2658 175.7429 57 T 4.9337 8.2434 118.1518 62.0421 70.8891 171.6814 58 T 4.7826 8.2974 110.7993 60.2217 71.3464 175.5592 59 E 4.0377 8.9182 121.9516 59.9855 29.1810 179.6400 60 E 4.0720 7.6493 117.9536 58.6582 29.7358 178.4804 61 K 4.3419 7.9609 116.7126 56.6023 32.4459 178.1777 62 E 4.0411 7.9750 121.2331 59.1183 29.5230 178.5226 63 K 3.8938 7.9702 118.9976 59.6924 32.3697 178.3597 64 E 4.1287 8.1956 118.3249 59.3146 29.3428 179.0309 65 L 3.8853 8.2539 120.4138 58.3984 42.0835 178.4684 66 Y 3.9259 8.3985 116.9451 61.1994 37.9686 178.7830 67 E 4.0514 8.5382 118.5089 59.2727 29.7050 178.8498 68 E 3.8842 8.5723 120.6481 59.0702 29.7369 178.6791 69 L 3.9309 8.1796 119.4884 57.7149 41.3991 179.4008 70 R 3.9134 8.0735 118.3060 59.4139 30.1016 178.4356 71 K 4.1565 7.7402 117.0629 59.5257 32.8503 178.5298 72 L 4.2704 7.7809 118.3891 55.0027 42.0579 176.4678 73 H 4.2779 7.4617 119.7101 54.7906 30.2316 173.5549 74 P 4.4130 0.0000 0.0000 65.5504 31.4409 176.5256 75 Y 4.6963 7.7765 116.7271 57.4787 38.6899 176.3169 76 E 4.1513 9.0543 123.2690 59.2580 29.8072 177.4942 77 T 4.5617 7.5683 115.1920 60.7145 69.0546 171.5076 78 P 4.4607 0.0000 0.0000 61.7299 32.8743 176.7378 79 A 4.3701 8.3979 121.9811 52.0602 19.4066 176.6040 80 I 5.0308 8.3822 123.0992 59.9107 40.7175 174.8947 81 F 5.4629 8.4187 120.3241 56.3777 41.8477 173.0427 82 T 5.2704 8.9070 116.1513 62.0143 70.2139 173.9745 83 L 4.6808 9.2360 126.9069 53.3876 43.9018 176.0939 84 K 4.3665 8.6589 123.9271 55.9805 32.7220 176.2102 85 V 4.2364 8.3697 126.3223 61.8769 32.7967 175.0029 86 E 4.3510 8.9028 126.9288 58.3819 30.0450 175.9694 87 N 5.0640 7.5933 112.1073 51.8043 42.8920 173.8389 88 V 4.4273 7.9662 117.7071 61.1065 34.6432 173.6705 89 L 3.9774 8.7655 128.0605 55.9653 42.4153 177.3275 90 T 3.9700 8.9002 123.1231 67.0630 68.9653 175.2423 91 E 4.1626 8.3758 120.1174 59.7727 29.7304 178.7699 92 Y 4.5161 7.8877 118.6418 58.0786 38.5234 177.1255 *94 N 4.6727 8.3112 117.3429 52.6084 40.9199 176.7854 95 W 4.2664 8.0690 128.3493 59.6955 30.4805 177.8179 96 L 3.5621 7.8805 118.4229 57.7908 41.2320 179.2546 97 R 3.9286 7.7384 117.6588 59.5744 30.1224 178.1341 98 E 3.8636 7.9577 118.2844 59.5559 29.2106 179.4645 99 S 4.0127 7.4830 113.5778 60.0799 62.8536 175.7882 100 V 4.2168 6.8685 112.6163 60.4704 32.6333 175.3276 101 L 4.0632 7.3095 124.5229 55.3984 41.8813 176.3752 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 -2 H 8.43 4.73 0.00 3.14 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.27 4.38 0.00 3.42 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.30 4.69 0.00 3.21 3.45 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 I 7.88 4.13 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 1.40 0.86 0.91 0.00 0.00 3 L 8.22 5.32 0.00 1.83 1.66 1.10 1.03 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 4 V 8.95 4.95 2.29 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 0.93 0.00 0.00 1.15 0.00 0.00 5 Y 8.76 5.00 0.00 2.57 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 0.00 0.00 0.00 0.00 6 S 8.40 5.51 0.00 3.82 3.63 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 7 T 7.87 4.91 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 1.20 0.00 0.00 8 F 8.93 4.51 0.00 3.00 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 9 P 0.00 4.46 0.00 2.27 2.43 0.00 3.36 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 10 N 7.58 4.76 0.00 3.05 2.95 0.00 0.00 5.92 7.66 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 11 E 8.01 2.55 0.00 1.16 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 1.47 1.47 0.00 12 E 7.71 3.71 0.00 2.09 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 2.29 2.26 0.00 13 K 8.43 3.74 0.00 1.76 1.71 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 14 A 7.46 2.64 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 15 L 7.56 3.55 0.00 1.51 1.63 0.76 0.71 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 16 E 8.01 3.75 0.00 2.01 1.90 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 2.19 2.25 0.00 17 I 7.54 3.61 1.42 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 1.31 0.18 0.71 0.00 0.00 18 G 7.39 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 0.00 0.00 0.00 19 R 7.70 3.99 0.00 2.02 2.05 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 20 K 7.98 4.09 0.00 1.88 1.76 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 21 L 8.29 3.95 0.00 1.69 1.57 0.15 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.24 4.06 0.00 1.92 1.76 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.18 4.02 0.00 2.09 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 2.34 2.54 0.00 24 K 7.87 4.23 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.48 7.81 25 R 7.54 3.84 0.00 1.96 1.97 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 1.53 1.69 0.00 26 L 7.92 4.44 0.00 1.58 1.66 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.57 4.77 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.86 0.00 0.00 28 A 8.63 4.33 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 0.00 0.00 0.00 0.00 0.00 29 C 7.92 4.96 0.00 3.40 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 30 F 8.46 5.66 0.00 3.02 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 31 N 9.46 5.20 0.00 2.75 2.83 0.00 0.00 6.83 7.61 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 32 A 9.01 5.56 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.32 4.42 0.00 2.80 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 34 E 7.35 3.35 0.00 1.16 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 2.09 2.14 0.00 35 I 8.41 4.77 1.89 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 1.04 0.77 0.83 0.00 0.00 36 R 8.57 5.14 0.00 1.70 1.87 0.00 3.14 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 37 S 9.05 4.93 0.00 4.02 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 38 G 8.40 4.77 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 0.00 0.00 0.00 39 Y 7.39 4.92 0.00 3.13 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 40 W 9.21 4.94 0.00 3.31 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 41 W 9.64 5.05 0.00 3.53 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 42 K 9.47 3.92 0.00 1.88 1.76 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.84 0.65 7.81 43 G 9.02 4.15 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 0.00 0.00 0.00 44 E 8.16 4.87 0.00 1.97 1.77 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 2.22 2.32 0.00 45 I 7.68 3.85 1.39 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.53 0.00 0.00 46 V 8.37 4.31 1.83 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 0.90 0.00 0.00 0.19 0.00 0.00 47 Q 8.30 4.89 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 48 D 8.95 4.87 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.61 5.01 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 50 E 9.36 5.08 0.00 1.91 2.02 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 2.41 2.38 0.00 51 W 9.38 4.79 0.00 3.37 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 52 A 8.41 4.69 0.32 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 53 A 8.11 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.71 4.63 1.97 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 1.47 1.32 1.17 0.00 0.00 55 F 9.11 5.51 0.00 3.04 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 56 K 9.06 5.13 0.00 1.93 1.93 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.54 7.81 57 T 8.24 4.93 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 58 T 8.30 4.78 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 1.13 0.00 0.00 59 E 8.92 4.04 0.00 2.08 2.10 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 2.47 2.65 0.00 60 E 7.65 4.07 0.00 2.06 2.02 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 2.35 2.40 0.00 61 K 7.96 4.34 0.00 1.97 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.57 7.81 62 E 7.98 4.04 0.00 2.23 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 2.38 2.53 0.00 63 K 7.97 3.89 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 64 E 8.20 4.13 0.00 2.20 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 2.40 2.38 0.00 65 L 8.25 3.89 0.00 1.83 2.01 0.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.40 3.93 0.00 3.22 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 67 E 8.54 4.05 0.00 2.22 2.26 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 2.54 2.33 0.00 68 E 8.57 3.88 0.00 2.14 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 2.23 2.32 0.00 69 L 8.18 3.93 0.00 1.69 1.63 0.75 0.71 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 70 R 8.07 3.91 0.00 2.14 2.10 0.00 3.46 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 71 K 7.74 4.16 0.00 1.99 2.04 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 72 L 7.78 4.27 0.00 1.61 1.70 0.83 0.95 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 73 H 7.46 4.28 0.00 3.39 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.41 0.00 2.25 2.15 0.00 3.45 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 1.56 1.84 0.00 75 Y 7.78 4.70 0.00 2.90 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 76 E 9.05 4.15 0.00 2.09 2.10 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 2.43 2.38 0.00 77 T 7.57 4.56 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 1.26 0.00 0.00 78 P 0.00 4.46 0.00 1.73 1.35 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 79 A 8.40 4.37 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 80 I 8.38 5.03 1.71 0.00 0.00 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 1.24 0.59 0.14 0.00 0.00 81 F 8.42 5.46 0.00 3.23 3.20 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 82 T 8.91 5.27 4.45 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 1.47 0.00 0.00 83 L 9.24 4.68 0.00 1.68 1.69 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.66 4.37 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.55 7.81 85 V 8.37 4.24 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 0.90 0.00 0.00 1.04 0.00 0.00 86 E 8.90 4.35 0.00 2.01 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 2.31 2.29 0.00 87 N 7.59 5.06 0.00 2.64 2.66 0.00 0.00 6.60 7.68 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 88 V 7.97 4.43 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 0.97 0.00 0.00 0.91 0.00 0.00 89 L 8.77 3.98 0.00 1.77 1.65 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.90 3.97 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 1.26 0.00 0.00 91 E 8.38 4.16 0.00 2.15 2.07 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 2.44 2.41 0.00 92 Y 7.89 4.52 0.00 2.97 3.17 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 *94 N 8.31 4.67 0.00 3.08 2.94 0.00 0.00 6.65 7.68 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 95 W 8.07 4.27 0.00 3.42 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 96 L 7.88 3.56 0.00 1.47 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.74 3.93 0.00 1.82 2.03 0.00 3.21 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 98 E 7.96 3.86 0.00 1.99 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 2.28 2.45 0.00 99 S 7.48 4.01 0.00 3.30 3.37 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 0.00 100 V 6.87 4.22 2.12 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 0.68 0.00 0.00 0.94 0.00 0.00 101 L 7.31 4.06 0.00 1.57 1.64 0.89 0.81 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 * Residues marked with a * may have inaccurate shift predictions.