NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 5.5198 8.4016 120.0393 56.6053 43.6148 171.3450 5 S 4.6212 8.4035 119.6462 54.8744 64.2621 172.5176 6 L 4.0460 8.6674 132.0338 57.8105 42.9552 176.7305 7 T 4.0088 7.9973 115.0935 63.7435 68.8759 174.2105 8 G 3.7108 7.2233 114.0928 44.9375 0.0000 170.7336 9 K 5.2159 7.4571 118.1759 54.7056 35.6244 175.7412 10 W 5.5514 8.7119 121.1883 55.8575 34.1506 174.2598 11 T 5.3142 8.8394 118.7403 60.8216 70.2138 172.0546 12 N 5.6013 8.6410 120.5560 49.9577 41.1216 174.7009 13 D 4.5599 8.7720 116.4105 54.7450 39.4113 176.5416 14 L 4.4848 8.4621 119.4456 54.1617 43.0560 176.9401 15 G 4.0565 8.6219 106.9270 45.3262 0.0000 174.4132 16 S 4.4504 7.9787 115.2281 59.3393 64.2154 173.0272 17 N 5.7256 8.5294 117.5933 52.4295 43.5436 173.2605 18 M 5.0557 8.5403 115.7972 55.2301 35.4478 173.9719 19 T 5.0540 8.8026 116.1756 62.4805 73.0668 172.9934 20 I 5.3763 8.0765 127.9894 59.3600 39.3381 176.9142 21 G 4.3136 8.3949 113.2509 45.0590 0.0000 172.1619 22 A 3.9253 8.7141 122.1372 52.8754 18.3305 178.4067 23 V 4.0122 8.1823 124.0696 60.1214 30.6100 175.7451 24 N 4.5997 8.7114 125.5906 52.4445 38.0286 176.4110 25 S 4.1127 8.7691 112.3679 61.7409 62.6057 175.6960 26 R 4.3212 8.4094 119.4783 55.7586 30.0289 178.2175 27 G 4.1115 8.4576 105.3059 45.6512 0.0000 173.7571 28 E 4.6618 7.9992 121.1756 55.9913 30.4206 176.1236 29 F 5.2229 8.2660 119.0893 55.4017 41.8824 173.4216 30 T 4.6232 8.3769 111.6411 60.4432 71.3569 172.6638 31 G 4.3400 7.3579 109.7744 46.9161 0.0000 171.2251 32 T 5.3416 8.0646 108.6515 60.2636 72.9799 172.7035 33 Y 5.1055 9.3389 123.9258 56.3249 42.5844 173.5893 34 I 4.8579 8.5595 121.5720 59.0915 39.2674 175.2402 35 T 4.2789 9.1011 121.8451 62.2819 67.7703 173.9121 36 A 4.3303 9.9178 129.9924 53.2247 19.1650 177.7278 37 V 4.3881 7.5442 113.5988 60.6227 34.3760 173.1916 38 A 4.3572 7.7468 122.2725 51.4978 21.8145 176.4853 39 D 4.4930 8.6929 119.2781 57.0125 41.1135 177.1918 40 N 4.9415 7.7018 117.0427 49.7549 38.5122 172.6398 41 P 4.0313 0.0000 0.0000 65.2945 31.7031 179.8549 42 G 3.6160 7.9980 106.7288 47.8366 0.0000 173.7754 43 N 4.5314 7.9467 116.0335 53.7141 39.3353 175.6351 44 I 2.0000 6.2449 117.9783 61.5023 37.5142 175.1866 45 T 4.6265 7.9752 113.1288 59.4861 71.6005 172.8404 46 L 3.9311 8.3905 123.9342 55.4182 42.1774 176.4530 47 S 5.1547 9.2271 122.2513 56.0914 66.6539 172.2347 48 P 5.0941 0.0000 0.0000 62.4216 33.4955 174.4066 49 L 5.1915 8.8419 121.7770 53.6300 46.2129 175.0632 50 L 4.4496 8.4895 126.3962 54.4999 46.0368 174.5062 51 G 4.0500 7.3370 112.4320 45.9150 0.0000 171.3871 52 I 5.4415 8.4838 119.6281 59.6889 41.6418 174.7612 53 Q 5.3043 9.1039 123.2209 54.4964 31.1645 174.2809 54 H 4.1999 8.9512 118.2904 56.2315 29.0905 176.1801 *57 K 4.1734 8.7966 122.8952 56.8845 34.0012 177.7247 58 R 3.9876 8.2338 115.7791 59.2255 30.1387 177.2690 59 A 4.1705 7.0838 117.5116 51.9573 18.9598 177.6129 60 S 4.2703 8.7015 115.9648 60.7941 62.9872 174.5267 61 Q 4.6714 7.4805 117.7870 52.8003 28.0815 173.1678 62 P 4.3837 0.0000 0.0000 62.9647 33.2169 176.3267 63 T 4.5697 8.5452 120.8909 63.7208 70.0879 173.5020 64 F 5.3276 8.3461 119.6573 56.3253 42.3447 172.9436 65 G 5.0050 9.3719 103.2733 46.4341 0.0000 172.5994 66 F 5.6860 8.3696 117.0778 55.3182 42.4970 173.0441 67 T 4.7925 8.8500 115.3024 61.6849 70.9059 173.6256 68 V 4.1988 8.5812 126.6755 61.0834 33.7811 174.0212 69 N 4.5596 8.1059 127.7131 51.3202 38.9220 173.4070 70 W 4.4092 7.5775 125.4826 56.6010 29.7031 177.0848 71 K 4.1803 9.0614 126.9860 57.7838 31.8410 177.1104 72 F 5.0296 7.0599 111.3080 56.6873 38.2502 174.2678 73 S 4.5132 7.4916 114.4226 58.7703 64.9883 173.8650 74 E 4.5962 8.6356 117.9004 56.3774 29.4770 175.8420 75 S 5.0529 7.9184 114.9034 57.2594 66.6817 173.1250 76 T 4.6793 8.3819 116.9790 62.1189 72.0595 173.2223 77 T 4.9778 7.7424 121.3371 61.8759 71.3183 173.7087 78 V 4.7288 8.3119 119.1301 59.4860 34.9735 174.6693 79 F 5.3699 8.3951 122.7948 56.0375 42.0983 174.6571 80 T 4.8388 8.4380 118.1478 62.3411 72.9650 173.8765 81 G 4.1130 7.1313 108.7095 46.2143 0.0000 171.7211 82 Q 4.9050 8.0676 119.6919 54.3537 32.9733 174.0362 83 C 5.0848 9.1540 125.8060 56.0718 40.9830 172.7655 84 F 5.4188 9.3221 123.8517 55.9170 42.8801 173.9982 85 I 4.8354 9.0085 121.8040 59.3291 40.3265 175.3687 *88 N 4.5147 8.5130 118.1469 53.5514 39.6357 175.7944 89 G 4.0745 8.6425 105.5175 44.9185 0.0000 174.2582 90 K 4.3065 7.7037 119.4096 55.9648 33.8309 176.0294 91 E 5.4760 8.9454 123.1290 54.9315 31.4861 175.6254 92 V 5.1498 8.5470 122.4184 60.0968 35.1636 174.0204 93 L 5.3705 9.1303 124.3994 53.4730 43.7212 175.5318 94 K 5.1058 9.1850 123.8010 55.2146 33.9043 175.5440 95 T 5.2508 9.4970 115.3887 60.2350 72.9364 172.4910 96 M 5.5186 9.0041 120.6932 53.7591 36.9644 174.2288 97 W 5.3798 8.5529 116.2489 55.7288 32.2989 173.2621 98 L 5.5190 8.9890 119.5579 52.9076 45.2900 175.4723 99 L 5.0742 9.9213 125.9678 53.3786 44.5833 174.7432 100 R 4.9775 9.4500 127.6459 54.9975 31.9262 175.0416 101 S 4.9920 8.5581 122.3191 56.6187 65.3150 173.9719 102 S 4.3361 8.5239 117.7969 58.4339 62.7573 173.8042 103 V 4.5450 8.1033 118.8626 59.6190 35.3565 175.6448 104 N 4.4131 8.8136 120.2879 56.5634 38.6920 175.8479 105 D 4.5997 7.8549 115.3081 54.5572 41.6179 175.8164 106 I 4.1619 8.1646 118.6275 62.2230 38.8398 176.9581 107 G 4.0169 8.1655 106.5766 46.7735 0.0000 173.2593 108 D 4.9614 7.8529 118.8225 54.1667 41.3460 176.8787 109 D 4.4802 7.9286 122.0729 55.6836 41.7247 178.4914 110 W 4.2292 8.3532 115.9190 58.8525 28.1594 176.6593 111 K 3.8340 6.3304 115.4038 56.1832 32.0174 176.1253 112 A 4.6291 7.5409 119.1609 52.2259 20.4643 176.2845 113 T 5.0264 7.8219 113.4687 62.8986 71.5497 173.6980 114 R 4.9306 9.1665 125.6092 54.3754 33.3856 175.4825 115 V 4.3539 7.7992 120.0481 60.4093 34.6487 175.7172 116 G 3.1658 6.3478 106.7114 46.1800 0.0000 171.5271 117 Y 5.4152 7.7017 117.0726 56.0899 41.5765 174.3314 118 N 5.2606 9.4943 115.9801 52.5514 43.7541 173.5256 119 I 5.2119 8.6966 123.9359 59.6887 40.1724 174.4948 120 F 5.2707 9.5050 125.6988 56.1041 41.9018 174.8868 121 T 5.1921 8.6993 118.8930 61.5585 71.9561 174.0523 122 R 3.6993 8.4270 121.6272 55.9718 31.1673 176.7867 123 L 4.2193 7.6586 121.5941 55.3874 41.7106 176.3618 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 4 C 8.40 5.52 0.00 3.11 3.16 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 5 S 8.40 4.62 0.00 3.92 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 6 L 8.67 4.05 0.00 1.63 1.17 -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.00 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 G 7.22 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 9 K 7.46 5.22 0.00 1.59 1.60 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.48 7.81 10 W 8.71 5.55 0.00 3.34 3.39 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 11 T 8.84 5.31 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 1.26 0.00 0.00 12 N 8.64 5.60 0.00 2.39 1.60 0.00 0.00 6.66 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 13 D 8.77 4.56 0.00 2.85 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 14 L 8.46 4.48 0.00 1.76 1.73 0.92 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 15 G 8.62 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.98 4.45 0.00 3.76 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 17 N 8.53 5.73 0.00 2.55 2.63 0.00 0.00 6.92 7.82 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 18 M 8.54 5.06 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 19 T 8.80 5.05 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 1.26 0.00 0.00 20 I 8.08 5.38 1.97 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.23 0.84 0.00 0.00 21 G 8.39 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 0.00 0.00 0.00 0.00 22 A 8.71 3.93 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 23 V 8.18 4.01 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 1.06 0.00 0.00 24 N 8.71 4.60 0.00 3.00 3.05 0.00 0.00 6.53 7.23 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 25 S 8.77 4.11 0.00 4.00 4.07 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 26 R 8.41 4.32 0.00 2.00 1.96 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 27 G 8.46 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 0.00 0.00 0.00 0.00 28 E 8.00 4.66 0.00 1.89 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 2.23 2.21 0.00 29 F 8.27 5.22 0.00 3.03 3.10 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 30 T 8.38 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 G 7.36 4.34 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 0.00 32 T 8.06 5.34 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 1.24 0.00 0.00 33 Y 9.34 5.11 0.00 2.99 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 34 I 8.56 4.86 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 1.00 0.00 0.00 35 T 9.10 4.28 4.65 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 1.31 0.00 0.00 36 A 9.92 4.33 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 37 V 7.54 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 38 A 7.75 4.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.69 4.49 0.00 2.66 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 40 N 7.70 4.94 0.00 2.74 2.69 0.00 0.00 6.86 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 41 P 0.00 4.03 0.00 2.13 2.24 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 42 G 8.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.53 0.00 2.79 2.94 0.00 0.00 6.97 8.12 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 44 I 6.24 2.00 1.54 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.18 0.79 0.00 0.00 45 T 7.98 4.63 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 1.24 0.00 0.00 46 L 8.39 3.93 0.00 1.71 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.23 5.15 0.00 4.05 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 48 P 0.00 5.09 0.00 2.09 2.17 0.00 3.80 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 2.02 1.96 0.00 49 L 8.84 5.19 0.00 1.65 1.56 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.49 4.45 0.00 1.56 1.37 0.83 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.34 4.05 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 0.00 0.00 0.00 52 I 8.48 5.44 1.88 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 1.16 0.59 0.96 0.00 0.00 53 Q 9.10 5.30 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 54 H 8.95 4.20 0.00 3.15 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.80 4.17 0.00 1.80 1.93 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.51 7.81 58 R 8.23 3.99 0.00 1.83 2.03 0.00 3.23 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 59 A 7.08 4.17 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 60 S 8.70 4.27 0.00 3.85 3.90 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 61 Q 7.48 4.67 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 62 P 0.00 4.38 0.00 2.17 2.27 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 63 T 8.55 4.57 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 1.24 0.00 0.00 64 F 8.35 5.33 0.00 3.44 3.23 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 65 G 9.37 5.01 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 0.00 0.00 0.00 66 F 8.37 5.69 0.00 3.28 3.37 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 67 T 8.85 4.79 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 1.10 0.00 0.00 68 V 8.58 4.20 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 0.00 0.00 0.03 0.00 0.00 0.89 0.00 0.00 69 N 8.11 4.56 0.00 2.64 2.60 0.00 0.00 7.29 7.95 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 70 W 7.58 4.41 0.00 3.26 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 0.00 0.00 0.00 0.00 71 K 9.06 4.18 0.00 1.88 2.02 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 72 F 7.06 5.03 0.00 3.31 3.15 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 0.00 73 S 7.49 4.51 0.00 3.87 3.63 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 74 E 8.64 4.60 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 75 S 7.92 5.05 0.00 3.92 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 76 T 8.38 4.68 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 1.12 0.00 0.00 77 T 7.74 4.98 4.21 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 0.00 0.00 0.57 0.00 0.00 78 V 8.31 4.73 2.00 0.00 0.00 0.00 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 0.88 0.00 0.00 79 F 8.40 5.37 0.00 1.72 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 80 T 8.44 4.84 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 1.19 0.00 0.00 81 G 7.13 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 0.00 0.00 0.00 0.00 82 Q 8.07 4.91 0.00 1.89 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.89 0.00 0.00 0.00 0.00 0.00 1.74 2.14 0.00 83 C 9.15 5.08 0.00 3.06 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 84 F 9.32 5.42 0.00 3.17 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 85 I 9.01 4.84 1.95 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 1.28 0.55 0.97 0.00 0.00 *88 N 8.51 4.51 0.00 2.75 2.89 0.00 0.00 7.17 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 89 G 8.64 4.07 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 0.00 0.00 0.00 90 K 7.70 4.31 0.00 1.89 1.85 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.55 7.81 91 E 8.95 5.48 0.00 2.12 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 2.48 2.21 0.00 92 V 8.55 5.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.10 0.00 0.00 93 L 9.13 5.37 0.00 1.84 1.92 -0.56 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.18 5.11 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.30 7.81 95 T 9.50 5.25 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 96 M 9.00 5.52 0.00 1.84 1.94 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 2.51 2.65 0.00 97 W 8.55 5.38 0.00 2.74 2.20 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 98 L 8.99 5.52 0.00 1.60 1.59 0.91 0.47 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 99 L 9.92 5.07 0.00 1.60 1.69 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.45 4.98 0.00 1.93 1.75 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 101 S 8.56 4.99 0.00 3.71 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 0.00 102 S 8.52 4.34 0.00 4.02 3.74 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 0.00 103 V 8.10 4.55 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 0.73 0.00 0.00 0.88 0.00 0.00 104 N 8.81 4.41 0.00 2.71 2.87 0.00 0.00 6.99 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 0.00 105 D 7.85 4.60 0.00 2.82 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 0.00 106 I 8.16 4.16 1.88 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 1.38 1.44 0.93 0.00 0.00 107 G 8.17 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 0.00 108 D 7.85 4.96 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.48 0.00 2.79 2.75 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 0.00 110 W 8.35 4.23 0.00 3.64 3.23 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 0.00 111 K 6.33 3.83 0.00 0.86 0.74 0.00 1.08 0.00 0.00 1.10 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.73 7.81 112 A 7.54 4.63 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.82 5.03 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 1.27 0.00 0.00 114 R 9.17 4.93 0.00 1.92 2.05 0.00 3.07 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 115 V 7.80 4.35 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 0.60 0.00 0.00 0.73 0.00 0.00 116 G 6.35 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.70 5.42 0.00 3.07 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 0.00 118 N 9.49 5.26 0.00 3.40 2.90 0.00 0.00 7.14 6.84 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 0.00 119 I 8.70 5.21 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 1.04 0.00 0.00 120 F 9.50 5.27 0.00 2.93 3.11 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 0.00 121 T 8.70 5.19 4.34 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 1.28 0.00 0.00 122 R 8.43 3.70 0.00 1.46 1.42 0.00 3.06 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 123 L 7.66 4.22 0.00 1.68 1.42 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.