NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0412 8.1476 120.2782 55.4025 33.9267 177.4403 2 D 4.4442 7.6949 116.8588 54.7070 39.4205 175.1401 3 K 4.3313 7.9244 118.9468 56.4873 33.5726 178.5841 4 V 3.7278 7.6970 118.0195 66.0643 31.7660 175.6169 5 L 5.0252 7.9631 117.8289 53.0221 45.1159 174.0845 6 N 5.1320 8.1886 116.3462 51.6829 40.2320 175.2020 7 R 3.6436 8.5628 115.8888 59.5286 29.9512 178.4093 8 E 3.8514 8.1081 118.3879 59.4475 29.5719 178.6206 9 E 3.8350 8.1416 117.6777 59.7851 29.7213 179.1172 10 S 3.3012 7.8837 113.5685 61.2322 62.3418 176.5259 11 L 3.9786 7.6756 121.4665 57.5895 41.3434 179.2888 12 Q 3.9596 7.7150 117.6428 59.1505 28.2872 178.9434 13 L 3.9975 8.3394 121.4214 58.3537 42.0535 178.6865 14 M 3.9411 7.7388 116.9396 58.4046 32.0456 178.0571 15 D 4.3773 8.1565 119.2739 57.2415 40.9048 178.1171 16 L 4.3436 7.9632 115.7679 55.7348 41.6284 177.9715 17 L 4.6878 7.4032 117.8623 52.9968 43.1727 176.0647 18 G 4.0175 8.1489 107.2504 46.6366 0.0000 173.5422 19 L 4.6401 7.7029 118.0606 51.8949 44.0060 176.2837 20 E 3.7945 8.8678 123.0879 56.4576 29.5211 177.5841 21 R 3.9887 8.8898 127.2699 59.2474 30.1061 177.2817 22 S 4.3510 8.1944 110.2023 60.0211 63.3628 174.2844 23 A 4.9557 8.2608 124.5641 51.6422 19.0658 176.0480 24 W 4.6592 8.4580 129.5096 59.9953 31.1163 175.9743 25 G 3.9688 9.1965 113.1015 45.6941 0.0000 173.8202 26 N 5.1421 8.3792 119.9843 52.0669 37.8154 175.0291 27 I 3.8560 8.5315 124.3581 63.8105 37.6833 175.8008 28 P 4.4976 0.0000 0.0000 65.5440 31.1389 178.2671 29 L 4.0651 8.5228 118.3230 57.7728 41.4322 178.9262 30 M 4.1324 8.2954 117.7760 59.0130 32.1371 179.0787 31 R 4.4443 8.8809 119.6682 58.8705 30.4736 179.3507 32 K 4.1444 8.1965 117.5354 59.6487 32.8421 178.7414 33 A 4.1378 8.7383 122.0161 54.2786 18.4041 178.3380 34 Y 4.0993 7.6132 118.1365 59.3817 38.9600 176.5380 35 L 4.1635 7.9524 119.0335 56.1511 42.1137 177.3484 36 K 4.2951 7.4733 117.7080 58.4740 33.1883 177.9970 37 K 3.7484 7.4674 117.4633 59.2059 31.7800 179.0135 38 C 4.0491 7.4108 115.7479 61.9649 28.0341 175.4152 39 K 4.1103 7.3850 119.8320 57.7628 32.1347 176.6424 40 E 4.6957 7.9713 121.2854 57.0375 30.3849 175.8210 *41 F 4.6000 7.3068 121.4041 57.2203 41.6587 177.0245 *42 H 3.8178 8.8448 113.8395 56.2982 25.6891 170.6116 43 P 4.5034 0.0000 0.0000 65.5810 31.2476 177.2661 44 D 4.8807 8.1065 133.0025 53.4968 38.7912 175.7966 *48 D 4.8150 9.2352 117.6909 54.5047 41.8385 177.3406 49 E 4.6744 7.9220 115.3653 56.4412 31.4509 179.9196 50 E 4.2394 8.2863 115.4144 59.1131 30.4825 183.8816 51 K 4.2996 8.0741 121.9645 60.2333 31.7522 183.3481 52 M 4.2826 7.3776 117.3809 57.9315 32.4217 177.5091 53 K 4.4265 7.9040 116.0829 56.9278 33.5478 178.0168 54 K 3.9849 7.2873 119.3435 59.6365 32.4187 177.7673 55 M 4.0507 8.5570 118.7938 59.4873 31.9767 177.2693 56 N 4.5333 8.4523 115.6709 56.7048 38.4853 176.5516 57 T 3.8911 7.9659 114.8003 65.6567 67.7627 176.1240 58 L 4.1414 8.2492 120.5987 58.0805 41.6710 178.7085 59 Y 4.0972 8.7519 119.6700 60.7891 38.2437 178.4363 60 K 3.8539 8.8466 119.7566 59.2153 32.2102 179.2546 61 K 3.9616 7.9799 120.0338 59.3852 31.9791 178.6379 62 M 4.0436 7.8111 118.3063 58.2794 32.4161 177.4420 63 E 3.6338 7.9518 119.6783 59.3211 29.6972 178.7018 64 D 4.4151 7.8017 118.4253 57.1374 41.1279 178.8140 65 G 3.6811 7.8567 105.8028 47.9836 0.0000 175.8701 66 V 3.5362 8.0780 120.7021 65.3138 31.2700 178.0723 67 K 3.9434 7.5803 118.3580 59.1614 32.2340 177.9570 68 Y 4.1044 7.9196 119.5382 60.4729 38.2506 177.0945 69 A 3.8786 7.8719 121.2945 55.2950 18.1633 178.5266 70 H 4.6242 7.7993 113.9625 56.1427 29.5796 176.6137 71 Q 4.0478 7.1739 120.7645 54.1505 28.4333 180.1915 72 P 4.6223 0.0000 0.0000 61.0087 32.5581 175.3763 73 D 4.1392 8.3970 119.3178 55.7558 41.1519 177.3932 74 F 3.9930 8.8441 120.4022 57.6782 36.4046 175.1474 75 G 3.7551 8.1533 107.8193 46.6267 0.0000 175.4096 76 G 4.1044 8.0332 109.0988 44.9861 0.0000 174.7658 77 F 4.2413 7.8956 120.6169 58.5177 40.1995 174.8883 78 W 3.4414 8.5698 124.4234 57.5878 25.6088 174.6275 *85 A 3.8013 7.7270 120.9850 52.4760 17.6238 177.2065 86 S 4.4066 7.6020 115.3981 58.1207 65.4889 174.2443 87 S 4.6431 8.2827 117.0306 57.8985 66.4240 176.4603 88 L 4.8932 8.0893 118.4111 54.1029 43.0867 179.0215 89 N 4.8441 9.1577 127.5043 53.0312 38.6685 173.3478 90 P 3.5676 0.0000 0.0000 63.5638 32.5034 179.6585 91 G 3.8472 7.7203 107.5019 46.6195 0.0000 172.7845 92 V 3.1255 8.0836 110.6479 63.0638 31.6483 174.2451 93 D 4.6681 8.3776 118.5225 54.1625 39.9568 176.3205 94 A 3.9868 7.6773 121.7380 52.4659 19.6916 178.1615 95 I 4.3984 7.8456 120.9469 59.8005 38.0336 176.5210 96 Y 4.0246 8.8281 124.0573 60.4503 38.1904 175.2411 97 C 5.2034 8.0867 119.5478 58.5087 34.3790 173.2439 98 K 4.7393 8.3497 115.7158 54.8300 35.6538 171.4567 99 Q 4.6268 7.6891 116.3798 55.4359 30.3115 173.4494 100 W 4.6694 8.2776 135.0000 59.8143 31.7155 176.0897 101 P 2.9700 0.0000 0.0000 65.3642 31.2870 178.2138 102 E 3.8455 7.7595 118.4033 59.3273 29.1051 178.7278 103 C 3.9462 7.5024 116.7225 62.9496 28.3118 176.1381 104 V 3.8226 6.6811 115.7918 65.4250 31.7196 177.4708 105 K 4.0307 8.3099 117.4273 55.8586 32.3772 175.0920 106 K 3.9449 8.3064 121.4252 55.9851 31.5324 175.6084 107 M 4.7891 8.0274 119.4502 54.5071 31.6011 176.8087 108 S 4.6249 8.4552 116.2603 57.4463 64.6992 173.8642 109 T 4.4320 8.2631 118.3366 61.5500 67.9213 174.5678 110 N 4.4334 8.3330 116.5049 55.4206 38.8801 173.3070 111 C 4.9723 8.0957 111.3027 56.6901 32.5114 174.1245 112 I 4.5208 7.9505 113.0252 58.7931 36.8651 173.9238 113 C 4.7736 7.7324 121.7115 57.0288 32.1794 175.6795 114 L 4.1494 8.2721 121.9261 58.2744 41.1592 180.0780 115 L 4.1265 8.0671 119.7068 58.5806 42.1375 178.8466 116 C 4.2705 8.5929 116.9877 62.4233 28.0763 175.9654 117 L 4.0157 7.9366 120.3287 57.9059 41.4017 179.1365 118 L 4.1505 8.2661 118.7429 58.0607 41.6521 179.7818 119 R 4.0160 8.1458 118.4891 59.5391 30.0067 178.4941 120 M 4.2110 8.3538 120.9454 59.1370 32.0558 179.1704 121 K 3.9182 8.6547 124.0962 60.4049 31.6555 180.2551 122 H 4.4527 8.2822 119.2760 59.0967 29.7968 176.8261 123 E 4.0250 7.8579 116.0205 57.6181 29.8910 177.4627 124 N 4.5339 8.0600 118.9989 56.3069 39.3813 176.9721 125 R 3.3080 7.9389 119.6444 58.5045 30.3349 178.3898 126 K 4.1090 8.0178 115.3560 58.0820 32.7569 178.0592 127 L 4.1135 7.3249 119.3913 57.3162 41.5867 177.3695 128 Y 4.6845 7.2707 113.3605 56.6917 39.2966 175.3807 129 R 4.4650 7.4008 120.9137 54.7851 30.7689 176.3367 130 K 4.0880 8.7586 125.0963 58.6862 32.7024 176.7048 131 D 4.4135 8.1008 116.8210 53.9432 41.4847 173.9791 132 P 4.6255 0.0000 0.0000 61.9673 32.6017 175.6301 133 L 4.4042 8.2335 121.1027 54.1535 42.8695 176.1086 134 V 4.5719 7.6775 113.5471 58.6987 35.8638 174.6379 135 W 4.3412 8.5147 130.2312 59.1725 30.5927 176.0108 136 V 2.0000 5.4500 114.7145 61.5962 29.5250 173.2399 137 D 4.4551 7.3204 118.4512 55.4331 41.3680 176.4852 138 C 4.4580 7.3306 117.9202 59.0606 32.6515 173.1938 139 Y 4.7859 8.2713 116.4135 56.5397 40.1035 176.1983 140 C 4.7370 8.2773 116.3583 57.9737 31.6059 173.9619 141 F 3.7553 8.6316 123.4135 61.7973 38.8883 177.0109 142 D 4.2951 8.2629 117.5883 57.8509 40.4454 178.6614 143 C 4.2951 8.1529 115.2506 62.7386 28.3988 175.5840 144 F 3.9578 8.6125 122.3139 61.2722 38.6380 177.2312 145 R 3.5283 8.7516 118.6719 59.1947 29.4470 178.4991 146 M 4.0290 7.4431 117.5681 58.2201 32.0890 177.9779 147 W 4.0566 7.9810 127.9957 59.3965 31.1261 176.7390 148 F 4.1937 6.6640 116.4146 57.4382 39.3322 175.0484 149 G 3.9789 8.2112 109.1874 45.4774 0.0000 173.9237 150 L 4.5142 7.0860 117.7081 52.9352 43.3987 176.7635 151 D 4.5532 8.3678 122.5496 53.0881 41.6923 176.0497 152 L 4.3185 8.4169 125.8713 55.9825 40.9510 175.9874 153 C 5.0234 8.3014 119.2520 55.5652 33.4861 174.1659 154 E 2.9643 8.4737 121.2908 58.4743 28.8412 178.9781 155 G 3.4189 7.8799 105.7930 48.0981 0.0000 175.3525 156 T 4.1088 8.0648 118.4146 66.1950 68.4425 176.0425 157 L 3.9986 7.8868 121.6299 58.3577 41.9552 178.7749 158 L 3.8903 7.1025 117.0553 57.9668 41.8914 179.5296 159 L 4.1196 7.8540 118.3679 57.5093 41.6600 178.9551 160 W 3.3108 8.0943 128.5421 60.3452 30.6159 176.8558 161 C 3.6073 8.3022 112.4957 58.4590 28.9774 174.3027 162 D 4.3295 7.4821 121.7057 56.3936 41.3297 177.9022 163 I 3.9823 7.3805 113.3004 63.5018 38.1802 178.0286 164 I 3.3579 7.2942 121.6938 63.8891 36.7144 178.3290 165 G 4.0043 7.3052 103.3678 46.5109 0.0000 173.6445 166 Q 5.0868 7.4937 116.8990 55.0481 31.1182 176.1503 167 T 3.9759 7.1277 114.5325 63.0601 69.0814 173.9642 168 T 4.0411 8.5823 120.6246 62.9032 68.1351 174.1138 169 Y 4.1960 8.5644 129.1351 55.7132 35.5705 174.5567 170 R 4.4454 7.9685 121.9241 54.8995 32.6962 175.4282 171 D 4.3972 9.4499 124.5905 54.3200 38.6096 174.6617 172 L 4.1219 8.0330 124.5807 54.8713 40.8575 178.4908 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 M 8.15 4.04 0.00 0.70 1.47 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 0.00 2 D 7.69 4.44 0.00 3.15 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 3 K 7.92 4.33 0.00 1.72 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.48 7.81 4 V 7.70 3.73 2.30 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 0.93 0.00 0.00 0.82 0.00 0.00 5 L 7.96 5.03 0.00 1.87 1.63 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.19 5.13 0.00 2.90 2.99 0.00 0.00 5.98 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 7 R 8.56 3.64 0.00 1.80 1.94 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 8 E 8.11 3.85 0.00 2.03 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 2.36 2.44 0.00 9 E 8.14 3.83 0.00 2.05 1.94 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 2.40 2.42 0.00 10 S 7.88 3.30 0.00 2.72 3.33 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 11 L 7.68 3.98 0.00 1.65 1.62 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.72 3.96 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 13 L 8.34 4.00 0.00 1.76 1.79 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.74 3.94 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.74 0.00 15 D 8.16 4.38 0.00 2.95 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 16 L 7.96 4.34 0.00 1.66 1.75 0.98 0.85 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 17 L 7.40 4.69 0.00 1.66 1.74 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.15 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 19 L 7.70 4.64 0.00 1.73 1.68 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.87 3.79 0.00 2.07 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 2.42 2.44 0.00 21 R 8.89 3.99 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 22 S 8.19 4.35 0.00 4.10 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 23 A 8.26 4.96 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 24 W 8.46 4.66 0.00 3.33 3.41 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 25 G 9.20 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 26 N 8.38 5.14 0.00 3.05 3.08 0.00 0.00 7.02 7.91 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 27 I 8.53 3.86 1.98 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 1.78 0.76 0.96 0.00 0.00 28 P 0.00 4.50 0.00 2.21 2.13 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 29 L 8.52 4.07 0.00 2.20 1.80 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.30 4.13 0.00 2.35 2.51 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.86 0.00 31 R 8.88 4.44 0.00 2.05 2.10 0.00 3.40 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 32 K 8.20 4.14 0.00 2.05 2.12 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.49 7.81 33 A 8.74 4.14 1.44 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 0.00 0.00 34 Y 7.61 4.10 0.00 2.56 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 35 L 7.95 4.16 0.00 1.93 1.69 1.02 0.60 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 36 K 7.47 4.30 0.00 2.05 1.94 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.43 7.81 37 K 7.47 3.75 0.00 1.62 1.68 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.57 7.81 38 C 7.41 4.05 0.00 2.71 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 39 K 7.39 4.11 0.00 1.66 1.79 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 40 E 7.97 4.70 0.00 2.07 1.89 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 2.23 2.24 0.00 *41 F 7.31 4.60 0.00 2.23 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 0.00 0.00 0.00 *42 H 8.84 3.82 0.00 3.09 2.87 0.00 7.18 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.50 0.00 2.02 2.07 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 44 D 8.11 4.88 0.00 2.70 1.59 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 *48 D 9.24 4.81 0.00 2.72 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 49 E 7.92 4.67 0.00 1.83 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 1.83 0.00 50 E 8.29 4.24 0.00 1.89 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 2.31 1.87 0.00 51 K 8.07 4.30 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.06 7.81 52 M 7.38 4.28 0.00 2.18 2.13 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 2.61 2.71 0.00 53 K 7.90 4.43 0.00 2.08 2.04 0.00 1.45 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.69 7.81 54 K 7.29 3.98 0.00 2.04 1.92 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.60 7.81 55 M 8.56 4.05 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 56 N 8.45 4.53 0.00 2.97 2.90 0.00 0.00 6.73 7.05 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 57 T 7.97 3.89 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 1.32 0.00 0.00 58 L 8.25 4.14 0.00 1.98 1.77 0.95 0.60 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 59 Y 8.75 4.10 0.00 2.99 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 60 K 8.85 3.85 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 61 K 7.98 3.96 0.00 1.98 1.91 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 62 M 7.81 4.04 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 63 E 7.95 3.63 0.00 1.68 1.70 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 2.14 2.25 0.00 64 D 7.80 4.42 0.00 2.69 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 65 G 7.86 3.68 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 0.00 0.00 0.00 66 V 8.08 3.54 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 0.84 0.00 0.00 67 K 7.58 3.94 0.00 1.96 1.92 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 Y 7.92 4.10 0.00 3.09 3.08 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 69 A 7.87 3.88 1.30 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 0.00 0.00 70 H 7.80 4.62 0.00 3.06 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.17 4.05 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 72 P 0.00 4.62 0.00 2.25 2.21 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 73 D 8.40 4.14 0.00 2.92 2.25 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 74 F 8.84 3.99 0.00 3.41 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 75 G 8.15 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 0.00 0.00 0.00 76 G 8.03 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 0.00 0.00 0.00 77 F 7.90 4.24 0.00 2.84 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 78 W 8.57 3.44 0.00 3.19 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 *85 A 7.73 3.80 0.98 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 86 S 7.60 4.41 0.00 3.74 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 87 S 8.28 4.64 0.00 3.97 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 88 L 8.09 4.89 0.00 1.66 0.64 0.92 0.64 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 89 N 9.16 4.84 0.00 2.72 2.64 0.00 0.00 6.81 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 90 P 0.00 3.57 0.00 1.82 1.63 0.00 3.49 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.39 0.00 91 G 7.72 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 92 V 8.08 3.13 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 0.72 0.00 0.00 0.94 0.00 0.00 93 D 8.38 4.67 0.00 2.66 2.67 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 94 A 7.68 3.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.36 2.39 0.00 103 C 7.50 3.95 0.00 2.91 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 0.00 104 V 6.68 3.82 1.67 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 0.94 0.00 0.00 0.77 0.00 0.00 105 K 8.31 4.03 0.00 1.68 1.68 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.12 7.81 106 K 8.31 3.94 0.00 1.68 1.75 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 107 M 8.03 4.79 0.00 2.13 2.06 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 2.57 2.48 0.00 108 S 8.46 4.62 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.43 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 0.00 110 N 8.33 4.43 0.00 2.70 2.82 0.00 0.00 6.89 7.65 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 0.00 111 C 8.10 4.97 0.00 3.08 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 0.00 112 I 7.95 4.52 1.89 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 1.48 0.75 0.92 0.00 0.00 113 C 7.73 4.77 0.00 3.39 3.12 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 0.00 114 L 8.27 4.15 0.00 1.88 1.93 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.07 4.13 0.00 2.10 1.69 -0.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 C 8.59 4.27 0.00 3.12 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 0.00 117 L 7.94 4.02 0.00 1.78 1.78 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.27 4.15 0.00 2.06 1.97 1.34 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.15 4.02 0.00 2.04 2.16 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 120 M 8.35 4.21 0.00 2.15 2.28 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 2.71 2.57 0.00 121 K 8.65 3.92 0.00 1.70 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 122 H 8.28 4.45 0.00 3.25 3.52 0.00 5.57 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 0.00 123 E 7.86 4.02 0.00 2.13 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 2.55 2.30 0.00 124 N 8.06 4.53 0.00 2.95 3.09 0.00 0.00 7.13 7.69 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 0.00 125 R 7.94 3.31 0.00 1.77 1.61 0.00 3.36 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 126 K 8.02 4.11 0.00 1.77 1.83 0.00 1.25 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.32 7.81 127 L 7.32 4.11 0.00 1.85 1.82 0.95 0.75 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 5.45 2.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.44 0.00 0.00 137 D 7.32 4.46 0.00 2.44 2.56 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 0.00 138 C 7.33 4.46 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.27 4.79 0.00 2.95 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 0.00 140 C 8.28 4.74 0.00 3.32 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 0.00 141 F 8.63 3.76 0.00 2.27 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 0.00 142 D 8.26 4.30 0.00 2.79 2.74 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 0.00 143 C 8.15 4.30 0.00 3.38 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 0.00 144 F 8.61 3.96 0.00 3.33 3.33 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 0.00 145 R 8.75 3.53 0.00 1.27 1.63 0.00 3.02 0.00 0.00 2.63 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 146 M 7.44 4.03 0.00 2.11 2.32 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 2.65 2.66 0.00 147 W 7.98 4.06 0.00 3.20 2.37 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 0.00 148 F 6.66 4.19 0.00 2.61 2.73 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 0.00 149 G 8.21 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 0.00 150 L 7.09 4.51 0.00 1.49 1.54 0.69 0.90 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 0.00 151 D 8.37 4.55 0.00 2.68 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 0.00 152 L 8.42 4.32 0.00 1.69 1.75 1.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 153 C 8.30 5.02 0.00 3.20 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 0.00 154 E 8.47 2.96 0.00 1.27 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 1.96 1.50 0.00 155 G 7.88 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 0.00 0.00 0.00 156 T 8.06 4.11 4.68 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 1.45 0.00 0.00 157 L 7.89 4.00 0.00 1.59 1.45 0.74 1.20 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 0.00 158 L 7.10 3.89 0.00 1.66 1.68 0.83 0.90 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 0.00 159 L 7.85 4.12 0.00 2.06 1.86 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.09 3.31 0.00 2.52 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 0.00 161 C 8.30 3.61 0.00 2.31 3.08 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 0.00 162 D 7.48 4.33 0.00 2.67 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 0.00 163 I 7.38 3.98 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.64 1.09 0.00 0.00 164 I 7.29 3.36 1.40 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.53 0.00 0.00 165 G 7.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 7.49 5.09 0.00 2.11 2.08 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 2.23 2.42 0.00 167 T 7.13 3.98 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 0.74 0.00 0.00 168 T 8.58 4.04 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 1.17 0.00 0.00 169 Y 8.56 4.20 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 0.00 170 R 7.97 4.45 0.00 1.53 1.78 0.00 3.10 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 171 D 9.45 4.40 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.03 4.12 0.00 1.79 1.47 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.