NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6939 8.2714 118.2072 52.5167 38.9203 174.6491 12 G 3.4397 8.4063 103.8969 46.7738 0.0000 170.6430 13 V 3.5933 8.0374 120.3144 66.0968 31.8616 175.7870 14 H 4.1109 9.0393 118.1934 59.4120 29.6860 176.6078 15 D 4.2800 7.6908 120.1412 57.5893 40.6068 178.5619 16 F 4.0352 8.4079 120.8559 61.6368 39.1859 177.4000 17 I 3.7637 7.8978 118.9356 64.2577 36.9374 178.1425 18 L 3.8998 7.9286 119.9811 57.9253 41.6267 179.5452 19 V 3.5033 7.7785 117.9859 66.4842 31.4857 178.3497 20 R 3.9328 7.6148 117.1761 58.7411 29.8414 178.9460 21 A 4.0234 8.3535 121.5968 55.3100 18.4255 179.7983 22 T 3.8964 8.2508 108.3597 64.8210 68.7398 176.6448 23 A 4.0249 7.9915 123.2140 54.9415 18.4094 179.6245 24 I 3.6749 7.6754 117.8720 64.4474 37.2118 178.6792 25 V 3.6562 7.6396 118.4889 66.2627 31.3450 177.9680 26 L 4.1183 8.4818 118.9409 58.1471 41.3420 179.7102 27 T 3.9205 8.4030 115.9935 66.7742 68.3553 176.5471 28 L 4.1364 8.0497 120.7620 58.1200 41.5909 179.0483 29 Y 3.1099 8.1897 119.4594 60.4117 38.6086 178.0755 30 I 3.7271 8.2436 121.1541 64.0875 37.1261 178.2750 31 I 3.7159 8.1177 121.1671 64.5522 37.0534 177.6449 32 Y 4.0798 8.2321 120.3647 61.1565 38.6874 178.2469 33 M 4.0268 8.0667 119.6775 58.3527 32.1032 178.8937 34 V 3.7926 8.3431 119.0434 65.9194 31.3866 177.8984 35 G 3.6549 8.0471 104.7739 47.9158 0.0000 174.7079 36 F 3.9966 7.6145 122.6353 60.8746 39.5929 176.8661 37 F 3.6895 8.0893 116.4576 60.6509 38.5485 177.3478 38 A 4.2128 7.8509 115.8201 52.3040 19.2474 178.7265 39 T 4.5767 7.2767 108.0378 60.8556 69.6210 174.5282 40 S 4.2121 8.0094 111.7821 60.1247 66.0206 177.8207 41 G 3.6750 7.9625 108.7726 46.0873 0.0000 176.7869 42 E 3.6867 8.3013 129.3532 56.1703 29.1287 177.8395 43 L 4.4908 8.1528 128.8146 53.9132 41.7399 177.0969 44 T 4.0410 7.5738 113.5797 62.1877 68.5957 173.6670 45 Y 4.3165 8.8334 126.9333 60.7722 38.4171 178.4950 46 E 3.8996 8.6793 120.6402 59.2729 30.0228 179.0232 47 V 3.7221 7.8280 111.9847 63.9833 31.6380 178.0191 48 W 4.3936 8.3180 128.1984 60.8163 30.4219 177.9936 49 I 3.6910 7.6042 117.5735 63.5461 37.4849 177.9440 50 G 3.6745 7.8100 107.1689 47.4452 0.0000 175.4635 51 F 3.9848 7.9568 122.9603 60.9983 39.1451 176.5495 52 F 3.7571 7.6725 113.1418 57.9346 38.8204 176.4360 53 A 4.3612 7.2199 120.6713 51.9202 20.1700 177.8599 54 S 3.9871 6.9536 112.3137 58.3406 63.2034 174.7794 55 A 3.9413 8.8123 129.1436 55.4411 18.0967 179.6080 56 F 3.7007 8.1813 118.4480 61.8054 39.3180 177.3633 57 T 3.8210 7.7263 114.7965 66.0763 68.2132 176.9300 58 K 3.8742 7.9311 120.4886 59.3930 32.1391 179.3482 59 V 3.3885 7.7206 118.4413 66.1251 31.4425 177.5919 60 F 4.2268 7.6059 119.7245 61.8915 39.0272 177.3225 61 T 3.6264 7.7705 115.3460 66.2675 68.3208 177.0125 62 L 3.7175 7.8014 121.0417 57.4064 41.5770 179.0504 63 L 4.0957 8.4933 120.4794 58.4009 42.0174 179.0624 64 A 3.9235 7.9261 120.5340 54.8546 18.0213 179.6823 65 L 3.9193 7.7360 117.7664 57.8294 41.6583 179.5578 66 F 4.2836 8.1424 117.7839 60.6908 38.8722 177.7102 67 S 4.2241 8.2130 114.7531 61.9560 62.6261 177.0074 68 I 3.8890 7.8704 122.2876 63.9955 36.4289 177.9462 69 L 4.0113 8.2445 121.5627 58.8534 41.8831 179.0120 70 I 3.9986 8.0109 119.6090 64.1742 37.1150 177.4558 71 H 4.0004 9.0408 118.9248 59.8943 29.8019 177.3069 72 A 4.1510 8.4847 122.2037 54.6602 18.0996 179.4733 73 W 4.5181 8.0879 126.6568 60.8846 30.8850 178.1293 74 I 3.3110 7.7818 119.8373 64.2033 36.5599 178.4138 75 G 3.7242 8.1172 106.2894 48.4253 0.0000 175.5545 76 M 4.2006 8.7079 122.1352 57.5984 31.9738 178.7115 77 W 3.9676 8.3426 128.7858 60.3549 30.7543 178.1325 78 Q 3.5719 8.2196 118.0402 58.7041 28.1732 178.6713 79 V 3.4080 7.6477 119.1625 66.0187 31.5505 177.8627 80 L 3.9716 7.9925 118.9446 58.0709 41.3776 179.2828 81 T 3.8657 7.0758 106.1143 62.9604 68.8032 175.7467 82 D 4.1657 7.1034 121.5466 56.8664 41.1906 177.2224 83 Y 4.9173 7.3092 114.8520 57.7057 39.4009 175.8665 84 V 4.1400 8.0373 119.9921 61.1123 30.9058 175.7105 85 K 4.0785 8.5411 126.1627 58.6787 32.6347 177.2213 86 P 4.3170 0.0000 0.0000 62.1135 32.2784 176.5376 87 L 3.9031 8.6653 124.5576 58.3057 42.0595 178.5923 88 A 3.9910 8.0538 119.9389 55.4235 18.3078 179.0503 89 L 3.8834 7.9398 117.8746 58.4042 42.0686 179.0938 90 R 3.9433 7.9908 118.3475 59.2650 30.0012 178.4362 91 L 4.0557 8.2770 119.1404 58.1009 41.6742 179.2309 92 M 4.0520 8.2349 118.6452 58.6129 31.8653 178.8764 93 L 4.0524 8.0816 118.8416 57.9764 41.7017 179.6346 94 Q 4.1743 8.4785 118.1730 58.7001 28.5609 178.5746 95 L 3.8086 8.1082 121.4601 58.1215 42.0998 179.0481 96 V 3.5290 7.7265 118.0327 66.2463 31.4465 178.0289 97 I 3.6403 7.9497 119.5462 64.2585 36.9371 178.7199 98 V 3.1731 7.7820 119.3146 65.7640 31.2839 178.0337 99 V 3.4407 7.7520 117.9463 65.9588 31.2251 177.5541 100 A 3.8278 8.0239 120.4942 55.3550 18.0547 179.6553 101 L 3.3777 7.5373 117.1678 57.6609 41.5551 180.0007 102 V 3.5543 8.1126 118.6145 65.7920 31.3776 177.9719 103 V 3.6197 8.0732 118.4707 66.4491 31.2979 177.1886 104 Y 4.5220 8.2228 116.3981 61.6529 37.8154 179.3714 105 V 3.5735 7.7222 118.7722 66.0220 31.5987 178.1577 106 I 3.8563 8.1622 119.9084 64.5623 36.9687 177.8314 107 Y 4.3050 9.1433 121.5829 60.3654 38.5559 178.0087 108 G 3.5390 8.4172 106.9741 47.8872 0.0000 175.6844 109 F 3.8935 8.3616 120.4089 60.1234 38.6270 177.9746 110 V 3.7449 7.5390 117.3369 65.5828 31.3763 178.1618 111 V 3.5045 7.3186 117.2134 65.9538 31.7156 178.0060 112 V 3.9666 7.8537 114.3130 63.9983 31.4627 178.8069 *113 W 4.1064 7.3442 114.0045 56.7160 27.5512 178.5027 114 G 4.1960 7.8881 104.6930 45.8400 0.0000 173.5864 115 V 3.9572 7.8233 125.1528 62.7617 31.7620 175.0933 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 11 N 8.27 4.69 0.00 2.95 3.04 0.00 0.00 6.03 6.32 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 12 G 8.41 3.44 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 0.00 13 V 8.04 3.59 2.21 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 1.04 0.00 0.00 0.90 0.00 0.00 14 H 9.04 4.11 0.00 3.28 3.40 0.00 5.66 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 15 D 7.69 4.28 0.00 3.00 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 16 F 8.41 4.04 0.00 3.20 3.24 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 0.00 17 I 7.90 3.76 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 0.92 0.00 0.00 18 L 7.93 3.90 0.00 1.72 1.68 0.80 0.79 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 19 V 7.78 3.50 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 0.87 0.00 0.00 0.82 0.00 0.00 20 R 7.61 3.93 0.00 1.72 1.82 0.00 2.26 0.00 0.00 2.52 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 21 A 8.35 4.02 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 22 T 8.25 3.90 4.31 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 1.30 0.00 0.00 23 A 7.99 4.02 1.48 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 24 I 7.68 3.67 2.05 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 1.43 0.99 0.95 0.00 0.00 25 V 7.64 3.66 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 1.16 0.00 0.00 1.01 0.00 0.00 26 L 8.48 4.12 0.00 1.75 1.75 0.89 0.82 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 27 T 8.40 3.92 4.46 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 1.27 0.00 0.00 28 L 8.05 4.14 0.00 2.23 2.09 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.19 3.11 0.00 2.79 3.02 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 30 I 8.24 3.73 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 0.94 0.00 0.00 31 I 8.12 3.72 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.00 0.00 0.00 32 Y 8.23 4.08 0.00 3.13 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 33 M 8.07 4.03 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 34 V 8.34 3.79 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 1.02 0.00 0.00 0.93 0.00 0.00 35 G 8.05 3.65 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 0.00 0.00 0.00 36 F 7.61 4.00 0.00 2.26 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 37 F 8.09 3.69 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 38 A 7.85 4.21 1.27 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 39 T 7.28 4.58 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 1.15 0.00 0.00 40 S 8.01 4.21 0.00 3.57 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 41 G 7.96 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 42 E 8.30 3.69 0.00 1.97 1.93 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 2.31 2.33 0.00 43 L 8.15 4.49 0.00 1.60 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.57 4.04 4.30 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 1.27 0.00 0.00 45 Y 8.83 4.32 0.00 3.13 3.03 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 46 E 8.68 3.90 0.00 2.18 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 2.40 0.00 47 V 7.83 3.72 2.21 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 0.96 0.00 0.00 1.14 0.00 0.00 48 W 8.32 4.39 0.00 3.54 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 49 I 7.60 3.69 1.43 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 1.36 0.81 0.76 0.00 0.00 50 G 7.81 3.67 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 0.00 0.00 0.00 51 F 7.96 3.98 0.00 2.78 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 52 F 7.67 3.76 0.00 2.76 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 53 A 7.22 4.36 1.28 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 0.00 0.00 54 S 6.95 3.99 0.00 3.87 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 55 A 8.81 3.94 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 56 F 8.18 3.70 0.00 3.15 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 57 T 7.73 3.82 3.77 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 -0.05 0.00 0.00 58 K 7.93 3.87 0.00 1.84 1.74 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 59 V 7.72 3.39 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 0.77 0.00 0.00 0.85 0.00 0.00 60 F 7.61 4.23 0.00 2.80 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 61 T 7.77 3.63 4.37 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 1.26 0.00 0.00 62 L 7.80 3.72 0.00 1.62 1.42 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.49 4.10 0.00 1.73 1.97 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.93 3.92 0.50 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 0.00 0.00 65 L 7.74 3.92 0.00 1.62 1.54 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.14 4.28 0.00 3.28 3.04 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 0.00 0.00 0.00 67 S 8.21 4.22 0.00 4.12 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 68 I 7.87 3.89 2.09 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 1.46 0.72 1.07 0.00 0.00 69 L 8.24 4.01 0.00 1.83 2.12 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.01 4.00 1.97 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 1.51 0.86 0.96 0.00 0.00 71 H 9.04 4.00 0.00 3.28 3.45 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.48 4.15 1.54 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 0.00 0.00 73 W 8.09 4.52 0.00 3.39 3.36 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 74 I 7.78 3.31 1.77 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 1.14 0.48 0.82 0.00 0.00 75 G 8.12 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 76 M 8.71 4.20 0.00 2.19 2.48 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.96 0.00 77 W 8.34 3.97 0.00 2.21 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 78 Q 8.22 3.57 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 79 V 7.65 3.41 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 1.26 0.00 0.00 1.05 0.00 0.00 80 L 7.99 3.97 0.00 1.72 1.65 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.08 3.87 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 0.15 0.00 0.00 82 D 7.10 4.17 0.00 2.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.31 4.92 0.00 2.97 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 84 V 8.04 4.14 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.54 4.08 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.40 7.81 86 P 0.00 4.32 0.00 2.16 1.99 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 87 L 8.67 3.90 0.00 1.77 1.68 0.96 1.17 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 88 A 8.05 3.99 1.34 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 0.00 0.00 89 L 7.94 3.88 0.00 1.78 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.99 3.94 0.00 2.10 2.04 0.00 3.03 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 91 L 8.28 4.06 0.00 1.92 1.75 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.23 4.05 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 93 L 8.08 4.05 0.00 1.88 1.78 0.96 0.97 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 94 Q 8.48 4.17 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 3.13 2.66 0.00 95 L 8.11 3.81 0.00 1.84 1.83 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.73 3.53 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 1.05 0.00 0.00 0.95 0.00 0.00 97 I 7.95 3.64 2.13 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 1.46 0.78 1.04 0.00 0.00 98 V 7.78 3.17 1.73 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 0.56 0.00 0.00 -0.50 0.00 0.00 99 V 7.75 3.44 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 0.95 0.00 0.00 0.90 0.00 0.00 100 A 8.02 3.83 1.20 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 0.00 0.00 101 L 7.54 3.38 0.00 1.69 1.63 1.08 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.11 3.55 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 1.05 0.00 0.00 0.88 0.00 0.00 103 V 8.07 3.62 2.34 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 1.06 0.00 0.00 0.97 0.00 0.00 104 Y 8.22 4.52 0.00 3.26 3.03 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 0.00 105 V 7.72 3.57 2.17 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 0.69 0.00 0.00 0.79 0.00 0.00 106 I 8.16 3.86 2.07 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 0.62 0.97 0.00 0.00 107 Y 9.14 4.31 0.00 3.11 3.02 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 0.00 108 G 8.42 3.54 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 0.00 0.00 0.00 109 F 8.36 3.89 0.00 3.41 3.07 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 0.00 0.00 0.00 110 V 7.54 3.74 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 0.68 0.00 0.00 0.97 0.00 0.00 111 V 7.32 3.50 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 0.72 0.00 0.00 0.30 0.00 0.00 112 V 7.85 3.97 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 0.63 0.00 0.00 0.77 0.00 0.00 *113 W 7.34 4.11 0.00 2.57 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 0.00 0.00 0.00 0.00 114 G 7.89 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 0.00 0.00 0.00 0.00 115 V 7.82 3.96 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 0.75 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.