NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5510 8.2629 120.6063 55.5117 33.6180 173.5414 2 K 4.8606 8.0061 127.1438 53.1071 33.8636 172.0946 3 I 4.9886 9.5104 127.1411 58.5052 41.2036 173.8463 4 L 4.9408 9.1688 128.8899 53.5954 44.1513 174.9996 5 V 4.8776 8.8852 126.9744 61.4516 33.7178 174.2903 6 I 5.0394 9.0411 130.1222 60.0052 39.2677 174.5836 7 Q 4.7521 9.3184 127.9775 54.6389 30.4385 176.8783 8 G 4.3277 8.4237 114.4893 43.7519 0.0000 171.4471 9 P 4.4437 0.0000 0.0000 63.8941 31.6928 177.7906 10 N 4.2615 8.9291 115.2214 54.8022 38.1257 176.5997 11 L 3.5564 7.9820 118.4879 57.7715 41.7990 179.0703 12 N 4.4063 8.0203 114.1329 55.3019 37.7084 175.2786 13 M 4.3730 8.8187 119.8743 55.1788 32.2308 175.6715 14 L 4.2694 7.4551 120.7144 55.5912 42.0692 177.3809 15 G 4.0171 9.0423 114.8295 46.7747 0.0000 175.0311 *16 H 4.4987 8.2906 117.2588 57.0503 28.4097 180.8643 17 R 3.7147 7.1152 117.4042 59.1527 29.5021 179.6872 *23 G 3.7525 7.5996 108.9425 45.9260 0.0000 173.3456 24 M 4.4476 8.2588 116.3896 54.2749 29.9626 173.9259 25 V 4.5830 7.2352 119.8433 61.0077 35.3425 175.4029 26 T 4.8508 9.4106 119.4516 59.8769 71.5782 175.8779 27 L 3.7457 8.1492 122.7695 58.1533 41.9866 178.5816 28 D 4.1935 7.9468 118.4176 57.6953 40.8214 178.8625 29 Q 4.0678 7.9084 118.0843 58.8250 28.5889 179.0516 30 I 3.6102 7.3269 120.7276 64.5101 37.1150 178.0904 31 H 3.8160 7.7075 117.2009 58.7292 28.3842 177.8008 32 E 4.0370 8.2752 119.4472 59.1064 29.2410 179.1506 33 I 3.6739 7.7101 120.9967 64.6231 37.2297 177.7377 34 M 4.3254 7.9997 120.6490 58.0842 31.6757 178.4709 35 Q 4.0816 8.2490 117.6091 59.8961 29.1319 179.6703 36 T 3.9084 8.4684 116.5362 67.0184 68.4699 176.3255 37 F 4.1626 8.5865 122.4963 61.0656 39.5605 177.4259 38 V 3.6707 8.1485 120.3612 66.6197 31.3382 178.7240 39 K 3.9897 8.8637 123.1324 59.5734 31.6440 180.0797 40 Q 4.4986 7.9588 118.3669 58.6686 29.2424 177.6704 41 G 3.4643 8.0812 104.0268 44.8899 0.0000 172.5329 42 N 4.1814 7.7523 117.3529 54.1592 38.1131 173.4914 43 L 4.2548 7.2121 114.6501 53.3755 42.3570 177.3541 44 D 4.4609 8.4305 123.0341 53.9821 39.4264 174.2499 45 V 5.1090 7.5728 122.9610 60.3451 34.2835 173.7094 46 E 4.2444 8.8090 128.8622 56.0691 30.3830 175.9821 47 L 4.8842 8.3943 124.4101 52.9687 44.4490 175.5491 48 E 4.3371 8.5144 121.8578 54.3776 33.0847 174.0890 49 F 5.4352 8.4349 124.7518 55.8985 41.3458 174.9691 50 F 5.0037 9.2839 124.8245 56.6880 42.7063 172.8736 51 Q 5.0483 8.2125 126.3631 54.7484 31.7127 174.0555 52 T 4.5456 8.4677 118.3193 61.0921 70.7232 172.9550 53 N 4.7020 8.9974 122.9545 53.2873 39.1271 175.2151 54 F 4.7950 8.5433 119.5043 55.5174 40.8208 175.5865 55 E 3.6809 8.9576 124.9448 59.5802 29.3267 179.1749 56 G 3.7194 8.1923 104.7534 47.9155 0.0000 175.2196 57 E 4.4192 8.2937 120.0668 58.8984 29.5288 179.3744 58 I 3.9110 7.8611 119.9436 64.4064 37.2393 178.1476 59 I 3.6841 7.6841 120.6119 64.6671 36.9559 177.9619 60 D 4.3303 8.5744 119.7662 57.5417 40.4674 179.1278 61 K 3.8649 7.6076 118.5095 59.2546 32.4081 178.7591 62 I 3.7695 7.8794 120.2827 64.4906 36.7880 178.2770 63 Q 4.0038 8.1676 118.9161 59.1704 28.2801 178.9568 64 E 3.9365 8.0432 118.7515 58.7132 29.6978 179.0077 65 S 4.0136 7.8459 114.9570 61.2299 62.8026 176.4581 66 V 3.5677 7.0685 121.1226 64.6173 31.5288 175.8006 67 G 3.9893 8.4337 108.3683 46.1476 0.0000 173.3437 68 S 3.3744 9.0656 112.1906 58.0341 63.3946 177.4248 69 D 4.3976 8.1728 133.8443 56.0844 41.1097 175.9912 70 Y 4.8530 8.3159 118.7168 56.9203 38.7481 175.0643 71 E 4.5186 8.9551 124.4586 57.3130 30.9833 176.3084 72 G 4.3453 7.8859 104.9469 45.0692 0.0000 171.8845 73 I 5.2414 8.9687 121.6581 59.3723 40.8301 174.5996 74 I 4.9192 8.9954 127.9716 59.8352 39.5072 174.6797 75 I 5.0441 8.8522 126.0428 59.8212 42.0695 173.1636 76 N 5.1603 9.3939 128.8419 50.9534 39.1737 173.0123 77 P 4.5426 0.0000 0.0000 62.4927 32.9793 177.9320 78 G 3.7086 8.5000 108.4121 46.0424 0.0000 176.4169 79 A 4.1788 8.4236 122.9078 55.0466 18.6268 179.4862 80 F 4.7693 7.9488 114.0952 60.0121 39.5965 177.7308 81 S 4.5957 8.4696 117.5983 61.3317 62.6751 176.4866 82 H 4.6093 7.6828 115.5073 57.7328 28.7069 176.3208 83 T 4.7418 7.8436 106.3407 61.0922 70.4369 174.6940 84 S 4.4323 8.5830 117.8933 56.6964 61.1487 173.8452 85 I 3.3606 7.8854 128.5987 63.6471 36.9669 177.2318 86 A 3.9090 7.8796 121.0051 55.5341 18.1918 179.7435 87 I 3.6611 7.9302 117.6333 64.0137 37.0568 178.7443 88 A 3.9992 7.6505 122.0634 55.2453 18.1403 179.0904 89 D 4.3162 8.2854 116.3443 57.5876 41.1025 179.0895 90 A 4.0897 8.1431 121.0019 55.4138 18.4143 179.4566 91 I 3.6165 7.9287 118.4973 65.2861 36.9704 178.3209 92 M 4.2034 8.1206 117.8835 57.2762 31.6558 177.6382 93 L 4.4369 7.9354 117.6870 54.6683 41.9816 177.9866 94 A 3.7661 7.6841 121.9129 52.8998 19.2387 177.7114 95 G 3.9851 7.3974 105.1163 45.0479 0.0000 173.1830 96 K 4.3706 7.3369 116.2016 55.4243 34.6229 173.0206 97 P 4.3022 0.0000 0.0000 63.4072 31.9419 175.1357 98 V 4.9476 8.5334 124.1508 61.0590 34.5492 173.9256 99 I 4.9294 8.7425 128.6247 59.4699 40.0057 174.1535 100 E 4.7683 8.7708 128.7544 55.4218 30.8974 175.0664 101 V 4.7741 8.4383 126.8897 61.3648 34.2157 174.3817 102 H 4.9215 8.8317 123.3626 54.0907 32.2275 174.5058 103 L 4.0960 8.8677 123.0643 57.9999 42.5402 177.8299 104 T 4.4595 7.7711 106.5593 60.3506 70.8105 173.6732 105 N 4.6193 8.1301 120.0857 51.7568 38.1178 175.0232 106 I 4.0173 7.9567 119.9921 62.9545 38.1846 178.4467 107 Q 3.9318 7.5071 119.7301 58.3948 28.5413 177.2830 108 A 4.6136 8.1480 118.1393 51.6998 20.0373 177.0941 109 R 4.6766 7.2237 116.3422 55.9630 31.7569 175.5061 110 E 3.9573 8.0817 121.8494 56.6135 30.5066 177.1153 111 E 3.7856 8.7003 121.5060 59.5204 29.4089 179.3507 112 F 4.2892 7.5885 110.9121 59.0320 37.8924 175.7709 113 R 3.8359 6.9987 118.9778 56.4653 30.1641 177.7513 114 K 4.1928 7.7194 117.9696 58.6850 32.3671 176.9632 115 N 4.2761 7.8248 117.5722 53.6965 39.5764 174.7156 116 S 4.7247 8.2621 117.4784 56.1462 65.0042 174.1942 117 Y 4.3088 8.3611 128.0803 61.6291 37.9428 178.6436 118 T 4.1607 8.3036 110.3061 65.0273 68.3575 176.3114 119 G 3.6032 8.5056 107.7741 47.5516 0.0000 175.3000 120 A 4.1432 7.7521 121.8830 54.5995 18.3422 179.1495 121 A 4.1854 7.3600 117.2692 54.1236 17.9171 178.2282 122 C 4.2778 7.6587 114.7338 59.5454 28.9096 175.1080 123 G 3.9746 8.1411 111.2835 48.9376 0.0000 173.9330 124 G 4.1936 7.2721 103.0505 45.2348 0.0000 172.8043 125 V 5.0598 8.3746 120.3798 60.8933 34.6584 174.5275 126 I 4.7791 8.8201 128.6819 59.7347 39.6915 174.5072 127 M 5.0376 8.8966 122.8757 54.8389 34.1072 174.7601 128 G 3.6904 8.7235 108.8483 46.4744 0.0000 174.0021 129 F 4.4498 8.2289 115.4578 55.7081 40.6889 178.0466 130 G 3.8416 8.3192 110.8636 45.7613 0.0000 173.4891 131 P 4.5528 0.0000 0.0000 65.4349 31.3613 177.8748 132 L 3.7451 8.2565 119.0898 58.5252 41.8297 179.1575 133 G 3.6118 8.2737 105.3542 47.8135 0.0000 175.3627 134 Y 3.9977 8.6599 119.5574 61.0865 37.6023 178.0114 135 N 3.8294 8.0795 116.8220 56.5173 38.6602 176.8361 136 M 3.7670 8.1041 120.0754 58.5223 32.0144 178.8861 137 A 3.8885 7.8665 120.3660 55.0813 18.5817 179.2753 138 L 3.9293 7.8146 117.6693 58.5112 41.6077 179.3842 139 M 4.1338 8.4481 117.7817 58.8245 32.0782 178.2049 140 A 3.9983 7.8305 120.3453 55.2460 18.6466 178.8296 141 M 3.8895 8.4462 117.2180 59.0978 32.2183 178.2332 142 V 3.6006 7.9555 118.1150 66.4490 31.5949 177.7426 143 N 4.3513 7.8212 115.6186 56.4805 38.4046 177.5971 144 I 3.7591 7.9296 121.1741 64.3526 37.2736 178.5435 145 L 4.0754 8.2654 119.8579 57.5992 41.4715 179.3632 146 A 4.0024 8.0737 120.8411 55.0609 18.3051 179.3872 147 E 3.8353 8.1746 117.6704 59.7185 29.8697 178.4343 148 M 4.0214 8.3666 119.2603 58.8906 31.0095 179.0678 149 K 3.9978 8.1200 117.6762 59.4754 32.3048 179.3188 150 A 4.1699 7.9855 120.9755 55.0115 18.2275 179.5583 151 F 4.2920 8.2307 119.2198 61.5907 39.5946 177.3562 152 Q 3.8388 8.3158 116.5975 57.7152 28.2092 177.5861 153 E 4.3613 7.3302 115.4449 57.3230 30.3895 177.8628 154 A 4.1128 7.4639 120.1400 55.5165 18.2064 179.3520 155 Q 3.9985 7.9443 117.0016 58.3785 28.7282 178.4693 156 K 3.8814 7.2673 115.0695 58.4249 32.6171 176.9831 157 N 4.6535 7.8689 116.7516 53.9955 39.8198 174.3997 158 N 4.5350 9.2753 121.1892 53.5650 39.2804 173.5295 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 8.26 4.55 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 2 K 8.01 4.86 0.00 1.48 1.67 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.36 7.81 3 I 9.51 4.99 1.89 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 1.13 1.02 1.00 0.00 0.00 4 L 9.17 4.94 0.00 1.72 1.49 0.99 0.13 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 5 V 8.89 4.88 2.31 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 1.14 0.00 0.00 1.02 0.00 0.00 6 I 9.04 5.04 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 1.14 0.00 0.00 7 Q 9.32 4.75 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 8 G 8.42 4.33 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 0.00 9 P 0.00 4.44 0.00 1.88 1.79 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 10 N 8.93 4.26 0.00 2.89 2.92 0.00 0.00 7.16 6.73 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 11 L 7.98 3.56 0.00 1.85 1.74 1.08 0.42 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 12 N 8.02 4.41 0.00 2.79 2.91 0.00 0.00 6.03 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 13 M 8.82 4.37 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 14 L 7.46 4.27 0.00 1.70 1.73 0.96 0.94 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 15 G 9.04 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 *16 H 8.29 4.50 0.00 2.94 2.97 0.00 7.23 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 17 R 7.12 3.71 0.00 1.86 1.79 0.00 3.27 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 *23 G 7.60 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 0.00 0.00 0.00 24 M 8.26 4.45 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.24 4.58 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 1.02 0.00 0.00 0.93 0.00 0.00 26 T 9.41 4.85 4.17 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 1.19 0.00 0.00 27 L 8.15 3.75 0.00 1.79 1.57 0.66 1.09 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 28 D 7.95 4.19 0.00 2.64 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 29 Q 7.91 4.07 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.33 3.61 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.40 0.00 0.00 31 H 7.71 3.82 0.00 2.69 1.49 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.28 4.04 0.00 2.18 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 2.46 2.37 0.00 33 I 7.71 3.67 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.98 0.00 0.00 34 M 8.00 4.33 0.00 2.25 2.52 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 35 Q 8.25 4.08 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 36 T 8.47 3.91 4.52 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 0.00 0.00 0.00 1.26 0.00 0.00 37 F 8.59 4.16 0.00 3.22 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 38 V 8.15 3.67 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 0.99 0.00 0.00 1.18 0.00 0.00 39 K 8.86 3.99 0.00 1.74 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 7.96 4.50 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 41 G 8.08 3.46 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 0.00 0.00 0.00 0.00 42 N 7.75 4.18 0.00 2.81 2.82 0.00 0.00 7.13 7.06 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 43 L 7.21 4.25 0.00 1.77 1.58 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.43 4.46 0.00 2.62 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 0.00 0.00 0.00 0.00 45 V 7.57 5.11 2.11 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 0.88 0.00 0.00 0.96 0.00 0.00 46 E 8.81 4.24 0.00 1.90 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 0.00 2.31 2.34 0.00 47 L 8.39 4.88 0.00 1.19 1.00 1.08 0.93 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 48 E 8.51 4.34 0.00 2.00 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 2.24 2.29 0.00 49 F 8.43 5.44 0.00 2.92 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 50 F 9.28 5.00 0.00 3.09 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 51 Q 8.21 5.05 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 52 T 8.47 4.55 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 1.44 0.00 0.00 53 N 9.00 4.70 0.00 2.65 2.68 0.00 0.00 6.87 7.45 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 54 F 8.54 4.79 0.00 3.14 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 55 E 8.96 3.68 0.00 1.16 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 0.00 2.14 1.79 0.00 56 G 8.19 3.72 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 0.00 0.00 0.00 57 E 8.29 4.42 0.00 2.26 2.39 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 2.49 2.40 0.00 58 I 7.86 3.91 2.11 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.08 1.04 0.00 0.00 59 I 7.68 3.68 2.01 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 1.50 0.67 0.89 0.00 0.00 60 D 8.57 4.33 0.00 2.76 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 61 K 7.61 3.86 0.00 1.59 1.67 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.82 1.08 7.81 62 I 7.88 3.77 1.85 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 1.50 0.89 0.89 0.00 0.00 63 Q 8.17 4.00 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 64 E 8.04 3.94 0.00 2.01 1.87 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 2.28 2.24 0.00 65 S 7.85 4.01 0.00 3.88 4.01 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 66 V 7.07 3.57 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 0.75 0.00 0.00 0.98 0.00 0.00 67 G 8.43 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 0.00 0.00 0.00 68 S 9.07 3.37 0.00 3.95 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 69 D 8.17 4.40 0.00 2.58 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 70 Y 8.32 4.85 0.00 2.92 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 71 E 8.96 4.52 0.00 1.86 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 2.29 2.26 0.00 72 G 7.89 4.35 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 0.00 73 I 8.97 5.24 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.98 0.00 0.00 74 I 9.00 4.92 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 1.07 0.00 0.00 75 I 8.85 5.04 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.89 0.95 0.00 0.00 76 N 9.39 5.16 0.00 2.89 2.98 0.00 0.00 6.97 7.25 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 77 P 0.00 4.54 0.00 2.41 2.23 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 78 G 8.50 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 79 A 8.42 4.18 1.23 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 0.00 0.00 0.00 80 F 7.95 4.77 0.00 3.36 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 81 S 8.47 4.60 0.00 3.77 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 82 H 7.68 4.61 0.00 3.27 3.57 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.84 4.74 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 1.33 0.00 0.00 84 S 8.58 4.43 0.00 3.81 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 85 I 7.89 3.36 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.73 0.00 0.00 86 A 7.88 3.91 1.25 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 87 I 7.93 3.66 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.97 0.00 0.00 88 A 7.65 4.00 1.41 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 89 D 8.29 4.32 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 90 A 8.14 4.09 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 91 I 7.93 3.62 2.10 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 1.54 1.43 0.93 0.00 0.00 92 M 8.12 4.20 0.00 2.00 2.24 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 2.58 0.00 93 L 7.94 4.44 0.00 1.67 1.68 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.68 3.77 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 95 G 7.40 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 0.00 0.00 0.00 96 K 7.34 4.37 0.00 1.92 1.90 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.39 7.81 97 P 0.00 4.30 0.00 2.12 2.06 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 98 V 8.53 4.95 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 1.10 0.00 0.00 1.00 0.00 0.00 99 I 8.74 4.93 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.89 0.00 0.00 100 E 8.77 4.77 0.00 2.10 1.80 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 2.12 2.27 0.00 101 V 8.44 4.77 1.69 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 -0.24 0.00 0.00 0.71 0.00 0.00 102 H 8.83 4.92 0.00 3.11 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.87 4.10 0.00 1.65 1.76 1.01 0.88 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 0.00 104 T 7.77 4.46 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 1.20 0.00 0.00 105 N 8.13 4.62 0.00 2.62 2.68 0.00 0.00 6.64 8.15 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 0.00 106 I 7.96 4.02 1.97 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 1.34 0.71 0.74 0.00 0.00 107 Q 7.51 3.93 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 108 A 8.15 4.61 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 0.00 109 R 7.22 4.68 0.00 1.62 1.60 0.00 3.16 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 110 E 8.08 3.96 0.00 1.16 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 2.19 2.15 0.00 111 E 8.70 3.79 0.00 1.97 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 2.37 2.37 0.00 112 F 7.59 4.29 0.00 3.12 3.22 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 0.00 113 R 7.00 3.84 0.00 1.67 1.79 0.00 3.03 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.00 114 K 7.72 4.19 0.00 1.78 1.78 0.00 1.76 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.22 7.81 115 N 7.82 4.28 0.00 2.55 2.61 0.00 0.00 6.66 7.63 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 0.00 116 S 8.26 4.72 0.00 3.87 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 0.00 117 Y 8.36 4.31 0.00 3.10 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 0.00 118 T 8.30 4.16 4.33 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 1.31 0.00 0.00 119 G 8.51 3.60 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 0.00 120 A 7.75 4.14 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 0.00 0.00 0.00 0.00 0.00 121 A 7.36 4.19 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 0.00 122 C 7.66 4.28 0.00 3.19 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 0.00 123 G 8.14 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 0.00 124 G 7.27 4.19 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 0.00 125 V 8.37 5.06 2.11 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 0.92 0.00 0.00 0.96 0.00 0.00 126 I 8.82 4.78 1.78 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 1.19 0.53 0.87 0.00 0.00 127 M 8.90 5.04 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 128 G 8.72 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 0.00 0.00 0.00 129 F 8.23 4.45 0.00 3.04 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 0.00 130 G 8.32 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 0.00 131 P 0.00 4.55 0.00 2.24 2.18 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 132 L 8.26 3.75 0.00 1.79 1.99 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.27 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.66 4.00 0.00 3.16 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 0.00 135 N 8.08 3.83 0.00 2.54 1.81 0.00 0.00 7.03 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 0.00 136 M 8.10 3.77 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.30 0.00 137 A 7.87 3.89 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 0.00 138 L 7.81 3.93 0.00 1.87 1.97 1.11 0.71 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 0.00 139 M 8.45 4.13 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 140 A 7.83 4.00 1.32 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 0.00 141 M 8.45 3.89 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 142 V 7.96 3.60 2.41 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 1.01 0.00 0.00 1.00 0.00 0.00 143 N 7.82 4.35 0.00 2.93 2.86 0.00 0.00 7.11 7.32 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 0.00 144 I 7.93 3.76 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.92 0.00 0.00 145 L 8.27 4.08 0.00 1.80 1.74 0.95 1.12 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 0.00 146 A 8.07 4.00 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 0.00 147 E 8.17 3.84 0.00 2.27 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 2.27 2.35 0.00 148 M 8.37 4.02 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.67 0.00 149 K 8.12 4.00 0.00 2.13 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 150 A 7.99 4.17 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 0.00 151 F 8.23 4.29 0.00 3.10 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 0.00 152 Q 8.32 3.84 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 153 E 7.33 4.36 0.00 2.07 1.98 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 2.26 2.58 0.00 154 A 7.46 4.11 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 0.00 155 Q 7.94 4.00 0.00 1.74 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 156 K 7.27 3.88 0.00 1.85 1.86 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.31 7.81 157 N 7.87 4.65 0.00 3.00 2.88 0.00 0.00 6.72 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.28 4.54 0.00 2.61 2.59 0.00 0.00 7.04 7.44 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 * Residues marked with a * may have inaccurate shift predictions.