NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4445 8.3144 122.0620 56.8087 34.1176 175.1607 3 E 4.5042 8.4256 120.4845 53.6476 32.5243 169.3036 4 V 4.3451 9.3213 129.0248 61.5579 32.7353 175.3731 5 I 4.4810 8.8476 126.9947 60.3643 38.4491 175.3187 6 F 5.0793 8.5442 126.2003 57.3154 42.5066 173.3884 7 T 4.3383 7.4799 120.3296 60.5437 70.4251 174.5419 8 E 3.8182 8.4305 127.1969 59.1729 29.7453 178.1141 9 N 4.3323 7.8788 115.2800 54.9527 38.7426 174.5177 10 A 4.7696 7.1440 119.6040 48.8340 22.0951 173.9326 11 P 4.1229 0.0000 0.0000 63.5431 31.7448 177.3310 12 K 4.2750 8.6433 125.1753 53.3820 32.0618 172.0538 13 P 4.2852 0.0000 0.0000 61.4557 31.4595 176.5806 14 I 4.2244 9.6715 123.6475 60.8943 36.9336 175.4474 15 G 3.8325 7.9838 112.8975 43.8310 0.0000 168.8866 16 P 4.7000 0.0000 0.0000 62.6065 31.7036 174.8058 17 Y 4.9610 7.5493 114.8059 56.6917 41.1041 173.8511 18 S 4.8222 8.3150 115.3948 56.4367 66.1771 175.3703 19 Q 4.3457 8.7140 121.0026 59.2218 29.7557 176.3459 20 A 5.0062 7.3091 113.6352 51.2967 23.4104 175.5287 21 I 4.9872 8.5702 121.0926 59.3685 41.3463 174.3661 22 K 5.1112 9.3450 127.8899 54.8500 34.2501 174.8936 23 A 4.3520 9.5675 129.4881 51.0840 21.1778 176.7072 24 G 3.8866 8.8369 113.4406 46.9083 0.0000 173.4445 25 N 4.7692 8.8028 120.7517 53.9501 39.5306 174.4218 26 F 5.4656 8.3562 118.5605 55.6884 42.0946 174.4095 27 L 5.0409 8.7158 124.4841 53.3532 44.8309 174.9109 28 F 4.9292 9.5941 126.2171 56.0267 40.7001 174.7994 29 I 4.8737 8.5202 125.3873 59.6209 38.9315 175.9282 30 A 4.5350 8.7805 128.5252 51.3763 19.4984 177.4352 31 G 3.7192 8.6400 106.8838 46.8702 0.0000 173.0603 32 Q 4.9818 9.3659 125.4855 54.1899 31.0031 174.9063 33 I 4.9605 8.2148 116.6217 57.9839 40.8883 174.2953 34 P 4.6850 0.0000 0.0000 63.2535 28.8977 173.5069 35 I 4.6302 7.5975 125.5239 59.9977 40.4917 174.9276 36 D 4.5430 8.4548 125.7585 52.7030 40.4817 175.0442 37 P 4.4172 0.0000 0.0000 64.9083 31.5401 177.8982 38 K 4.1071 8.4154 118.9380 59.1752 31.8764 177.8406 39 T 4.1505 7.9539 112.0134 61.5351 68.1523 176.0013 40 G 4.0044 8.8959 108.3618 45.3138 0.0000 172.5750 41 E 4.7315 7.3115 119.8764 53.6042 32.1994 175.4843 42 I 3.9681 8.1700 124.1179 61.9502 38.2523 177.0594 43 V 4.2184 7.8989 119.3277 60.3910 30.6564 177.4717 44 K 3.9992 7.4671 120.0072 54.1721 33.4091 179.4564 45 G 4.2571 7.7116 110.6353 45.3273 0.0000 173.5389 46 D 4.7418 7.8728 126.4374 51.8590 42.2166 177.1093 47 I 3.6521 8.0935 119.0918 64.3668 37.5867 177.9104 48 K 3.9359 8.0581 118.7431 59.4161 31.6581 178.6888 49 D 4.3485 7.8852 117.3356 57.2044 41.2086 178.4013 50 Q 3.9899 7.9675 118.2441 59.3374 28.9377 178.5307 51 T 3.8354 8.1466 114.2359 65.1765 67.1244 175.9713 52 R 3.8321 7.6444 120.2132 58.9548 30.0088 178.2235 53 Q 3.9704 7.6935 119.6488 58.7910 29.0430 177.9603 54 V 3.5776 7.8203 119.2978 66.0861 31.4884 178.0758 55 L 3.7894 7.6078 118.3046 57.6588 41.1790 179.3896 56 E 4.1156 7.8759 118.7772 59.3048 29.3963 179.0851 57 N 4.3269 8.3231 116.6146 56.5808 38.6283 177.6097 58 I 3.8063 8.0967 121.4185 64.0065 37.1170 178.4180 59 K 3.9448 8.3440 120.7123 59.5943 31.9908 178.2997 60 A 3.9743 8.3181 121.3096 55.3280 18.0784 179.2653 61 I 3.6418 7.6819 117.1643 64.6861 37.6240 178.3236 62 L 4.1927 8.1847 119.4312 57.8249 41.4187 179.2769 63 E 4.1233 8.3315 118.1608 59.4202 29.2202 180.7400 64 A 4.4398 8.0483 116.7942 51.9652 18.4131 178.0260 65 A 4.5422 8.7886 119.8391 53.6978 21.8763 178.2148 66 G 3.8442 8.5538 103.8929 45.8696 0.0000 173.0399 67 Y 4.7928 7.8079 116.3774 55.8697 40.2630 175.0065 68 S 4.9165 8.6114 116.5098 55.9281 66.0766 175.1280 69 L 4.1306 8.4361 119.7405 57.8491 41.3284 178.9296 70 N 4.7258 8.1281 113.2668 54.0544 37.7253 175.2257 71 D 4.6326 8.2727 119.3821 55.4055 41.5832 176.5527 72 V 4.0614 7.5435 120.7476 62.9389 31.9658 175.2681 73 I 4.4357 8.7751 120.3499 61.1811 40.2159 175.2754 74 K 5.0496 7.6370 123.1069 54.9261 35.8711 174.8151 75 V 4.8812 8.9037 125.8766 61.4556 35.5376 174.0026 76 T 4.8390 8.8683 122.9476 61.6651 72.0266 172.8225 77 V 4.5414 8.9579 127.2388 61.1988 34.1875 173.7655 78 Y 5.1411 8.8399 125.6296 56.4958 40.3794 175.0288 79 L 5.1250 8.6565 123.8202 52.0890 45.7274 175.8062 80 K 4.7198 8.2558 121.0834 55.1060 32.9567 171.6450 81 D 5.1880 8.6687 128.3918 53.6218 41.0280 173.2274 *84 D 4.6489 8.1478 129.8306 53.7312 40.5966 175.7823 *85 F 4.5334 8.7557 114.7318 58.6807 37.2792 173.2461 86 A 4.6728 8.6501 128.5795 53.4515 20.8251 179.1753 87 K 4.3795 7.9674 115.7715 55.9998 32.9570 182.6164 88 M 4.1940 8.0267 114.9139 58.5663 31.2010 176.5401 89 N 4.7984 7.7547 115.4445 53.5177 40.4011 173.1458 90 E 4.2017 8.9839 121.0511 58.3616 27.9853 177.3796 91 V 3.9219 7.6009 117.8407 65.7085 31.7185 177.3197 92 Y 4.0932 8.1750 119.0069 60.9096 38.6579 177.7219 93 A 4.0699 7.7821 120.1102 55.3648 18.0998 179.1382 94 E 3.9735 8.1878 115.4446 58.7769 29.7376 178.1490 95 Y 3.8940 7.9592 116.7071 58.5892 38.6396 175.9191 96 F 5.0401 7.5079 115.0659 56.4383 41.0805 176.4014 97 G 3.8511 8.1634 110.3345 47.4891 0.0000 173.9689 98 E 3.9778 7.5267 121.1469 58.2754 29.7177 176.7635 99 S 4.1493 8.5252 118.8644 59.3918 63.8976 174.7825 100 K 3.9547 8.2388 116.1778 57.5373 31.0495 171.7893 101 P 4.5978 0.0000 0.0000 62.5947 33.1819 177.2188 102 A 4.1821 8.4987 122.2889 52.3595 19.2583 176.7254 103 R 5.0592 8.3786 120.1271 54.6090 34.0671 174.5986 104 V 4.3375 8.4505 122.6205 61.1488 34.8882 173.8111 105 A 4.8226 8.6546 129.3643 50.3516 20.9861 175.2017 106 V 4.4496 8.4011 114.9044 60.0236 36.1722 174.7589 107 E 4.8844 8.6479 124.0526 55.2497 30.8056 175.3428 108 V 4.6509 8.6564 120.8949 59.7002 33.6019 176.6924 109 S 4.2356 8.7044 118.7494 61.6899 62.9638 174.9599 110 R 4.5241 7.3081 115.8586 55.3776 32.6385 173.1849 111 L 4.7952 7.9557 121.6811 51.5813 45.4925 174.2184 112 P 4.3115 0.0000 0.0000 64.4765 31.4615 176.9989 113 K 4.1073 9.0312 121.7902 58.0344 29.3562 174.9351 114 D 4.4117 8.1150 114.2058 54.9920 39.1393 174.7062 115 V 3.8017 7.2772 116.6771 62.9423 31.9950 175.5810 116 L 4.2964 8.5122 126.0286 57.5091 43.1302 176.4962 117 I 4.9735 7.5124 116.8680 59.4576 41.2741 173.7289 118 E 5.0316 9.3360 129.1667 54.5040 33.0659 174.2598 119 I 5.1059 8.8596 126.5375 59.5408 40.9411 174.0130 120 E 5.1581 9.2694 127.0807 54.7127 32.6485 174.3752 121 A 5.1254 8.2314 125.4442 50.7755 23.3862 175.1098 122 I 4.8166 8.7123 120.7277 59.3618 40.7843 174.7213 123 A 5.2894 8.6747 127.0310 50.3448 22.8978 174.1430 124 Y 5.2686 9.3942 120.3408 55.9153 42.0701 174.7590 125 K 4.0945 8.0866 126.9140 54.6912 34.9764 175.5635 126 E 3.7249 8.1543 127.3561 56.2133 29.6003 175.8249 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.44 0.00 1.81 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 3 E 8.43 4.50 0.00 2.09 1.85 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 2.22 2.38 0.00 4 V 9.32 4.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 5 I 8.85 4.48 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 1.01 0.00 0.00 6 F 8.54 5.08 0.00 2.88 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 7 T 7.48 4.34 4.12 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 1.13 0.00 0.00 8 E 8.43 3.82 0.00 1.93 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 2.27 2.28 0.00 9 N 7.88 4.33 0.00 2.66 2.86 0.00 0.00 6.72 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.14 4.77 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.12 0.00 2.10 2.08 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 12 K 8.64 4.28 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 13 P 0.00 4.29 0.00 1.39 1.25 0.00 3.51 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 14 I 9.67 4.22 1.98 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 1.39 0.85 0.96 0.00 0.00 15 G 7.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.70 0.00 2.24 2.17 0.00 3.84 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 2.05 1.99 0.00 17 Y 7.55 4.96 0.00 3.11 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 18 S 8.31 4.82 0.00 3.92 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 19 Q 8.71 4.35 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 20 A 7.31 5.01 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 21 I 8.57 4.99 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.97 0.00 0.00 22 K 9.34 5.11 0.00 1.91 1.90 0.00 1.86 0.00 0.00 2.08 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.63 7.81 23 A 9.57 4.35 1.33 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 24 G 8.84 3.89 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 0.00 0.00 0.00 25 N 8.80 4.77 0.00 2.54 2.37 0.00 0.00 6.73 8.13 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 26 F 8.36 5.47 0.00 3.51 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 27 L 8.72 5.04 0.00 0.92 0.87 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.59 4.93 0.00 3.04 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 29 I 8.52 4.87 2.02 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 1.18 0.89 1.01 0.00 0.00 30 A 8.78 4.54 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 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 32 Q 9.37 4.98 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 33 I 8.21 4.96 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.92 0.00 0.00 34 P 0.00 4.69 0.00 2.14 2.35 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 35 I 7.60 4.63 1.90 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 1.32 0.70 0.93 0.00 0.00 36 D 8.45 4.54 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.42 0.00 2.36 2.12 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 38 K 8.42 4.11 0.00 1.89 1.91 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.52 7.81 39 T 7.95 4.15 4.25 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 1.35 0.00 0.00 40 G 8.90 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 41 E 7.31 4.73 0.00 1.92 1.78 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 2.20 2.29 0.00 42 I 8.17 3.97 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 1.43 0.66 0.99 0.00 0.00 43 V 7.90 4.22 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 0.65 0.00 0.00 1.01 0.00 0.00 44 K 7.47 4.00 0.00 1.77 1.65 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.06 7.81 45 G 7.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.87 4.74 0.00 2.88 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 47 I 8.09 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.92 0.00 0.00 48 K 8.06 3.94 0.00 2.06 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.51 7.81 49 D 7.89 4.35 0.00 3.02 2.80 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 50 Q 7.97 3.99 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 51 T 8.15 3.84 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 1.29 0.00 0.00 52 R 7.64 3.83 0.00 2.06 2.16 0.00 3.37 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 53 Q 7.69 3.97 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 54 V 7.82 3.58 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 1.17 0.00 0.00 1.01 0.00 0.00 55 L 7.61 3.79 0.00 1.19 0.13 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.88 4.12 0.00 2.13 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 2.49 2.66 0.00 57 N 8.32 4.33 0.00 3.08 2.88 0.00 0.00 7.03 7.00 0.00 0.00 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 I 8.10 3.81 1.92 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 1.47 0.72 1.02 0.00 0.00 59 K 8.34 3.94 0.00 2.14 2.04 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.50 7.81 60 A 8.32 3.97 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 61 I 7.68 3.64 2.02 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 1.51 0.75 0.94 0.00 0.00 62 L 8.18 4.19 0.00 1.95 1.98 1.09 0.86 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 63 E 8.33 4.12 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 64 A 8.05 4.44 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 65 A 8.79 4.54 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 67 Y 7.81 4.79 0.00 3.19 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 68 S 8.61 4.92 0.00 4.00 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 69 L 8.44 4.13 0.00 1.75 1.82 0.80 0.54 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 70 N 8.13 4.73 0.00 2.85 3.31 0.00 0.00 6.02 8.06 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 71 D 8.27 4.63 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.54 4.06 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 0.51 0.00 0.00 1.14 0.00 0.00 73 I 8.78 4.44 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 1.08 0.00 0.00 74 K 7.64 5.05 0.00 1.74 1.54 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 V 8.90 4.88 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 1.05 0.00 0.00 0.53 0.00 0.00 76 T 8.87 4.84 4.11 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 0.00 0.00 0.00 0.59 0.00 0.00 77 V 8.96 4.54 1.88 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 0.88 0.00 0.00 0.75 0.00 0.00 78 Y 8.84 5.14 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.66 5.13 0.00 1.59 1.56 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.26 4.72 0.00 1.72 1.69 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.39 7.81 81 D 8.67 5.19 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 *84 D 8.15 4.65 0.00 2.67 2.44 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 *85 F 8.76 4.53 0.00 2.29 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 0.00 0.00 0.00 86 A 8.65 4.67 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 87 K 7.97 4.38 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 0.98 7.81 88 M 8.03 4.19 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 89 N 7.75 4.80 0.00 2.77 2.91 0.00 0.00 6.99 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 90 E 8.98 4.20 0.00 2.23 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 2.31 2.25 0.00 91 V 7.60 3.92 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 1.31 0.00 0.00 1.01 0.00 0.00 92 Y 8.17 4.09 0.00 3.32 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 93 A 7.78 4.07 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 94 E 8.19 3.97 0.00 2.08 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 0.00 2.71 2.36 0.00 95 Y 7.96 3.89 0.00 2.44 2.08 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 96 F 7.51 5.04 0.00 2.40 2.69 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 97 G 8.16 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 98 E 7.53 3.98 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 99 S 8.53 4.15 0.00 3.94 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 0.00 100 K 8.24 3.95 0.00 1.98 2.03 0.00 2.00 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 101 P 0.00 4.60 0.00 1.92 2.19 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.23 0.00 102 A 8.50 4.18 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 0.00 103 R 8.38 5.06 0.00 1.78 1.71 0.00 3.22 0.00 0.00 2.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 104 V 8.45 4.34 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 0.78 0.00 0.00 0.86 0.00 0.00 105 A 8.65 4.82 1.06 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 0.00 0.00 106 V 8.40 4.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.02 0.00 0.00 107 E 8.65 4.88 0.00 2.04 1.82 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 2.32 2.38 0.00 108 V 8.66 4.65 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 0.88 0.00 0.00 1.06 0.00 0.00 109 S 8.70 4.24 0.00 3.84 3.92 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 0.00 0.00 0.00 0.00 110 R 7.31 4.52 0.00 1.70 1.71 0.00 3.16 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 111 L 7.96 4.80 0.00 1.86 1.49 1.08 0.99 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 0.00 112 P 0.00 4.31 0.00 2.14 1.97 0.00 3.69 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 2.04 2.05 0.00 113 K 9.03 4.11 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.44 7.81 114 D 8.12 4.41 0.00 2.80 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 0.00 115 V 7.28 3.80 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 0.85 0.00 0.00 0.95 0.00 0.00 116 L 8.51 4.30 0.00 1.96 1.64 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.51 4.97 1.88 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 1.26 1.03 0.92 0.00 0.00 118 E 9.34 5.03 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 119 I 8.86 5.11 1.94 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 1.15 0.67 1.02 0.00 0.00 120 E 9.27 5.16 0.00 2.19 1.85 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 2.27 2.33 0.00 121 A 8.23 5.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.71 4.82 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.71 0.42 0.00 0.00 123 A 8.67 5.29 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 9.39 5.27 0.00 2.75 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 0.00 125 K 8.09 4.09 0.00 1.50 1.11 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.35 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.19 1.24 7.81 126 E 8.15 3.72 0.00 1.61 1.64 0.00 0.00 0.00 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 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.