NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.4182 8.4293 116.7553 54.8893 31.8829 177.5890 15 P 4.4393 0.0000 0.0000 61.3438 31.6738 173.5930 16 A 4.8146 9.0223 121.3221 50.3078 22.8007 178.0791 17 N 4.4637 8.5044 117.0618 52.7568 40.4380 174.3304 18 P 4.2866 0.0000 0.0000 66.2467 31.5297 178.7396 19 N 4.4158 8.1358 114.2150 56.3044 38.5858 176.9044 20 E 3.9329 8.2601 119.9842 59.2089 29.6717 178.5285 21 A 3.8270 8.5686 121.0411 55.2873 18.2990 178.6873 22 Y 4.3464 8.0984 116.7814 61.3595 38.9146 178.5077 23 R 3.8965 7.9133 117.2734 59.2356 30.3438 178.3287 24 H 4.2372 8.0571 118.0227 59.3654 29.8943 178.6037 25 Y 4.4914 7.6668 116.9481 58.2534 37.6051 178.3971 *27 K 3.8916 8.0253 121.0532 56.3544 34.4674 178.0289 28 K 4.0334 8.1668 119.3684 59.8810 31.7885 178.7850 29 L 4.1087 7.7001 117.5637 57.3483 41.5484 179.0041 30 S 4.2702 7.7252 112.7205 59.9951 63.6672 174.5495 31 Y 4.6591 7.7712 120.3479 58.6731 38.6974 174.7878 32 E 5.4435 8.0121 115.3214 54.7485 33.0418 175.0332 33 T 4.8938 8.6457 113.6123 60.5908 71.9206 172.1454 34 D 5.0378 8.4333 124.5193 51.5490 42.6900 177.1630 35 I 3.9181 8.6047 118.3300 64.5555 36.9005 178.2050 36 A 3.9446 8.0297 120.9229 55.4487 18.2990 179.0687 37 D 4.3345 8.0617 116.8284 57.5028 40.9709 179.0611 38 L 4.0218 7.9495 120.2765 58.1730 42.1590 178.7516 39 S 4.4351 8.7104 113.5485 61.7071 62.4135 176.2527 40 I 3.7399 8.0528 122.4328 64.4294 36.8355 177.9798 41 D 4.4742 8.0934 119.5582 57.6102 40.7645 179.0223 42 I 3.7364 7.8614 119.9909 64.2658 36.9284 177.9949 43 K 3.8972 7.8598 119.3093 59.5278 31.9617 178.0024 44 K 4.4980 7.8117 115.6126 55.6221 34.3854 177.4541 45 G 3.9251 8.1862 105.7663 47.4278 0.0000 172.3111 46 Y 4.5758 8.4920 119.9186 57.6356 39.4906 174.6470 47 E 4.2828 9.0282 126.3993 56.8018 29.7333 176.9397 48 G 3.4786 6.0482 105.4198 45.6967 0.0000 173.4180 49 I 5.1252 6.9401 112.3647 59.0644 41.4873 175.3624 50 I 4.3529 8.3447 122.9398 59.3362 40.3221 174.5910 51 V 4.1954 8.2386 128.1200 62.5948 32.5597 174.5648 52 V 4.6434 8.7505 128.8498 61.0665 34.2558 173.7131 53 D 3.7144 8.8691 128.2155 52.7672 41.9936 176.7981 54 V 4.0651 7.6663 125.8073 63.5919 32.6510 176.3032 55 R 4.2817 7.6805 118.9170 55.9502 30.7601 176.3898 56 D 4.5657 8.5046 118.2618 54.1357 42.7063 177.4494 57 A 3.9821 8.5600 123.3470 55.4916 18.4055 179.8496 58 E 3.8952 8.2239 116.9014 59.4395 29.7201 178.6448 59 A 4.1698 8.1528 120.3371 55.5597 18.2721 178.8510 60 Y 3.8907 7.8890 116.9879 60.5460 38.9036 177.7045 61 K 4.2133 8.0335 119.9416 59.1334 32.3618 178.4335 62 E 4.1349 8.1743 118.7051 57.7654 29.7730 176.9328 63 C 4.7439 6.8881 111.3272 58.4192 32.3980 172.2720 64 H 4.5854 7.8248 115.3919 54.4447 30.8272 173.3237 65 I 3.2990 8.1506 121.4117 60.1570 37.1863 174.4433 66 P 4.3031 0.0000 0.0000 64.6145 31.5130 176.4123 67 T 3.3670 8.7034 110.5102 62.0433 67.2647 171.2422 68 A 4.8081 7.6931 123.0316 51.5595 20.1151 177.6161 69 I 4.3090 8.8137 114.7104 59.5625 40.7598 174.3360 70 S 4.3370 7.7564 117.6793 56.7983 63.5769 174.3167 71 I 4.4262 8.3036 128.2634 58.7017 39.5678 171.5410 72 P 4.3061 0.0000 0.0000 62.9456 31.7007 175.8796 73 G 3.9531 9.0016 114.2292 49.1508 0.0000 175.7938 74 N 4.8290 7.8752 115.7908 52.4123 37.1725 175.2497 75 K 4.4170 7.9577 115.9953 56.6378 33.8559 175.6109 76 I 3.8405 7.5672 119.1487 60.9854 37.1494 174.5792 77 N 4.7519 7.8055 122.3914 52.1227 40.1307 174.6649 78 E 4.2225 8.5552 115.4143 58.5609 29.8670 178.9985 79 D 4.4650 8.0472 118.1293 56.8971 41.0839 177.1649 80 T 4.3159 7.7709 113.0611 63.9439 68.9795 175.0413 81 T 4.6060 7.4336 111.1562 60.9063 69.3551 176.0997 82 K 4.0719 7.7652 122.1145 60.1300 32.6697 178.2453 83 R 4.2333 7.9108 115.7956 56.6565 30.5591 176.0883 84 L 4.4070 7.3735 119.2738 53.5136 42.7885 176.3680 85 S 4.3156 8.5862 118.2199 58.0010 62.6878 174.4346 86 K 4.1022 8.5557 125.7941 57.3438 31.7567 177.5305 87 E 4.1697 7.9837 119.2516 57.5556 29.8482 176.5883 88 K 4.5761 7.6572 117.6908 54.8511 34.8326 175.9993 89 V 4.3703 8.1263 121.7441 61.5973 33.0589 175.1011 90 I 4.2574 8.3566 129.6474 61.1748 38.5164 175.2929 91 I 5.5780 8.6818 126.9330 58.8299 39.6834 175.0678 92 T 4.9108 8.5267 117.6927 60.6146 71.2557 173.2575 93 Y 4.9306 7.7858 118.4289 56.4302 41.0656 173.8698 94 C 4.9829 8.5574 122.9426 56.1651 46.5279 173.8345 95 W 4.1119 9.2303 113.9924 59.1376 29.4938 176.9666 96 G 4.4752 7.6265 106.7046 44.7904 0.0000 171.3742 97 P 4.1422 0.0000 0.0000 65.2337 31.3905 177.1691 98 A 4.2612 7.9375 118.5040 52.7988 18.9318 177.3607 99 C 4.8908 7.8972 115.9103 55.3111 42.9678 173.5317 100 N 4.6569 8.4830 120.1278 53.6269 39.3281 177.7048 101 G 3.9773 8.0437 107.4769 47.8639 0.0000 175.3091 102 A 4.0326 8.0477 123.4257 54.9232 18.2218 179.7471 103 T 3.8074 7.7533 112.3157 66.6852 68.9902 176.5570 104 K 4.0212 8.4399 120.5025 59.6048 32.1624 178.9919 105 A 3.9135 8.4671 120.8809 55.3377 18.2108 179.2936 106 A 4.1042 8.4062 119.0903 55.4283 18.2917 179.7572 107 A 3.9440 7.9314 118.9819 55.4060 18.4110 180.0399 108 K 3.8472 7.9891 116.4799 59.5091 32.0850 179.5593 109 F 4.1469 8.3696 117.9154 60.5562 38.9051 177.6751 110 A 4.4568 8.4455 121.9665 54.7099 17.9153 179.4168 111 Q 4.0846 8.2404 117.4780 58.5561 29.1333 177.1320 112 L 4.6235 7.5462 118.2759 54.2259 41.7889 177.0527 113 G 3.8368 7.7644 106.0607 46.0659 0.0000 173.7939 114 F 4.5314 8.3000 117.9578 55.8629 41.5442 175.5820 115 R 4.7170 8.4666 122.9760 55.4842 28.4883 175.6761 116 V 4.4526 7.8611 121.9640 60.9422 33.7936 176.3918 117 K 4.7296 8.6512 122.6259 55.5462 36.0410 174.6207 118 E 4.7171 8.9550 125.8979 55.7881 31.5497 175.6281 119 L 4.7099 8.7637 125.1351 53.4642 43.0336 175.4319 120 I 3.8619 7.9921 121.8656 61.8501 37.6471 175.1336 121 G 3.1659 9.8635 116.7818 44.2985 0.0000 174.8255 122 G 4.2739 7.8094 107.3862 45.3401 0.0000 173.6603 123 I 3.6832 8.0681 118.4967 64.3716 36.4971 177.5789 124 E 4.0765 8.6611 120.5092 60.0336 28.9861 178.7829 125 Y 4.3662 8.1467 115.9580 60.7048 38.1511 177.9859 126 W 4.0886 8.3833 129.3042 60.4679 30.5900 177.9924 127 R 3.9835 8.4365 117.1155 59.5927 29.6953 178.7473 128 K 3.9718 7.5083 115.3063 59.4342 32.2208 178.8837 129 E 4.0687 7.5984 117.4838 59.0953 29.4409 178.3485 130 N 4.3970 7.0771 111.7553 53.3002 38.3176 175.6050 131 G 3.7055 7.7911 116.0151 46.2785 0.0000 173.7220 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 14 E 8.43 4.42 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 15 P 0.00 4.44 0.00 2.29 2.13 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 16 A 9.02 4.81 1.22 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 0.00 0.00 0.00 17 N 8.50 4.46 0.00 2.76 2.79 0.00 0.00 6.85 8.03 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 18 P 0.00 4.29 0.00 2.17 2.15 0.00 3.62 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 2.14 2.24 0.00 19 N 8.14 4.42 0.00 2.85 2.92 0.00 0.00 6.64 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 20 E 8.26 3.93 0.00 2.05 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 0.00 2.35 2.38 0.00 21 A 8.57 3.83 1.60 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 22 Y 8.10 4.35 0.00 3.07 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 23 R 7.91 3.90 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 24 H 8.06 4.24 0.00 3.16 3.10 0.00 5.78 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 25 Y 7.67 4.49 0.00 3.02 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 *27 K 8.03 3.89 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.51 7.81 28 K 8.17 4.03 0.00 1.84 2.01 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.29 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 29 L 7.70 4.11 0.00 1.64 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.73 4.27 0.00 3.81 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 31 Y 7.77 4.66 0.00 3.21 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 5.44 0.00 1.99 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 2.54 2.33 0.00 33 T 8.65 4.89 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 1.29 0.00 0.00 34 D 8.43 5.04 0.00 2.81 2.84 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 35 I 8.60 3.92 1.89 0.00 0.00 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 1.75 1.01 0.77 0.00 0.00 36 A 8.03 3.94 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 37 D 8.06 4.33 0.00 2.89 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 38 L 7.95 4.02 0.00 1.96 2.05 0.84 0.75 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 39 S 8.71 4.44 0.00 3.93 4.06 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 40 I 8.05 3.74 2.03 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 1.83 1.09 0.91 0.00 0.00 41 D 8.09 4.47 0.00 3.01 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 42 I 7.86 3.74 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.97 0.00 0.00 43 K 7.86 3.90 0.00 1.95 2.04 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 44 K 7.81 4.50 0.00 1.98 1.89 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 1.81 7.81 45 G 8.19 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 46 Y 8.49 4.58 0.00 2.85 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 47 E 9.03 4.28 0.00 1.97 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 2.29 2.50 0.00 48 G 6.05 3.48 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 0.00 49 I 6.94 5.13 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.87 0.00 0.00 50 I 8.34 4.35 1.73 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 1.04 0.70 0.81 0.00 0.00 51 V 8.24 4.20 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 0.88 0.00 0.00 0.87 0.00 0.00 52 V 8.75 4.64 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.75 0.00 0.00 53 D 8.87 3.71 0.00 2.63 2.43 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 54 V 7.67 4.07 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 1.00 0.00 0.00 0.86 0.00 0.00 55 R 7.68 4.28 0.00 1.67 1.64 0.00 2.73 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 56 D 8.50 4.57 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 3.98 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 58 E 8.22 3.90 0.00 2.14 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 2.43 2.69 0.00 59 A 8.15 4.17 1.53 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 0.00 0.00 60 Y 7.89 3.89 0.00 2.91 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 61 K 8.03 4.21 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.17 4.13 0.00 2.24 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 0.00 2.39 2.51 0.00 63 C 6.89 4.74 0.00 2.94 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 64 H 7.82 4.59 0.00 3.12 2.84 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.15 3.30 1.26 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 -0.56 0.00 0.00 66 P 0.00 4.30 0.00 2.08 2.05 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 67 T 8.70 3.37 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 1.23 0.00 0.00 68 A 7.69 4.81 1.42 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 0.00 0.00 69 I 8.81 4.31 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.87 0.00 0.00 70 S 7.76 4.34 0.00 2.72 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 71 I 8.30 4.43 1.83 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 1.12 0.82 0.81 0.00 0.00 72 P 0.00 4.31 0.00 1.86 1.97 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 73 G 9.00 3.95 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 0.00 0.00 0.00 74 N 7.88 4.83 0.00 2.79 2.89 0.00 0.00 5.69 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 75 K 7.96 4.42 0.00 1.61 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.57 3.84 1.54 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 -0.00 0.00 0.00 77 N 7.81 4.75 0.00 2.64 2.84 0.00 0.00 6.57 7.54 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 78 E 8.56 4.22 0.00 2.06 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 2.45 2.30 0.00 79 D 8.05 4.47 0.00 2.64 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 80 T 7.77 4.32 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 1.14 0.00 0.00 81 T 7.43 4.61 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 1.07 0.00 0.00 82 K 7.77 4.07 0.00 2.01 2.19 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.91 4.23 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 84 L 7.37 4.41 0.00 1.92 1.71 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.59 4.32 0.00 3.87 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 86 K 8.56 4.10 0.00 1.58 1.56 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 87 E 7.98 4.17 0.00 1.97 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 2.29 2.40 0.00 88 K 7.66 4.58 0.00 1.64 1.65 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.32 7.81 89 V 8.13 4.37 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 1.03 0.00 0.00 0.95 0.00 0.00 90 I 8.36 4.26 1.46 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.06 -0.14 0.00 0.00 91 I 8.68 5.58 1.84 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 0.90 1.23 0.93 0.00 0.00 92 T 8.53 4.91 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 1.20 0.00 0.00 93 Y 7.79 4.93 0.00 2.96 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 94 C 8.56 4.98 0.00 3.08 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 95 W 9.23 4.11 0.00 3.40 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 96 G 7.63 4.48 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 0.00 97 P 0.00 4.14 0.00 2.07 2.12 0.00 3.72 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.44 0.00 98 A 7.94 4.26 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 99 C 7.90 4.89 0.00 3.10 3.25 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 0.00 100 N 8.48 4.66 0.00 2.80 2.83 0.00 0.00 6.75 7.60 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 0.00 101 G 8.04 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 0.00 102 A 8.05 4.03 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 0.00 103 T 7.75 3.81 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 1.20 0.00 0.00 104 K 8.44 4.02 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.59 7.81 105 A 8.47 3.91 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 0.00 106 A 8.41 4.10 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 0.00 107 A 7.93 3.94 1.37 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 0.00 0.00 108 K 7.99 3.85 0.00 1.69 1.65 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 109 F 8.37 4.15 0.00 3.23 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 0.00 110 A 8.45 4.46 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 0.00 111 Q 8.24 4.08 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.55 4.62 0.00 2.16 2.03 0.83 1.41 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 0.00 113 G 7.76 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 0.00 0.00 0.00 114 F 8.30 4.53 0.00 3.41 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 0.00 115 R 8.47 4.72 0.00 1.97 1.86 0.00 3.25 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 116 V 7.86 4.45 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 0.86 0.00 0.00 0.90 0.00 0.00 117 K 8.65 4.73 0.00 1.86 1.67 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.59 7.81 118 E 8.96 4.72 0.00 2.15 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 0.00 2.44 2.31 0.00 119 L 8.76 4.71 0.00 1.84 1.83 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.99 3.86 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.96 0.00 0.00 121 G 9.86 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 0.00 0.00 0.00 122 G 7.81 4.27 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 0.00 123 I 8.07 3.68 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 1.03 0.00 0.00 124 E 8.66 4.08 0.00 2.30 2.24 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 2.57 2.54 0.00 125 Y 8.15 4.37 0.00 3.10 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 0.00 126 W 8.38 4.09 0.00 3.45 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 0.00 127 R 8.44 3.98 0.00 2.03 2.06 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 128 K 7.51 3.97 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 E 7.60 4.07 0.00 1.54 1.71 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 2.44 2.32 0.00 130 N 7.08 4.40 0.00 2.33 2.66 0.00 0.00 6.94 6.93 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 0.00 131 G 7.79 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.