NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0576 8.2548 109.1209 45.4163 0.0000 175.1121 17 I 3.6837 7.3871 119.8534 63.2160 37.5557 175.2787 18 T 3.8839 7.9027 116.0255 63.3382 69.8753 174.2425 19 G 3.6067 7.5682 112.9454 44.8561 0.0000 170.9169 20 T 4.6847 7.4463 116.7754 61.5928 70.3123 174.5885 21 W 4.8512 8.1840 124.9978 54.8896 33.3544 173.9039 22 Y 5.3781 9.6939 120.6039 56.4638 41.2644 175.0369 23 N 5.2598 8.9265 120.1147 50.3934 40.1583 174.5958 24 Q 4.5032 8.5558 115.7621 56.4906 28.7636 175.6495 25 L 4.7082 8.4881 117.5435 54.9444 42.5245 177.0547 26 G 3.9531 8.7448 104.7462 45.9609 0.0000 173.7224 27 S 5.1478 8.2796 114.6260 56.8962 65.8087 173.3125 28 T 5.0778 8.7429 119.5431 61.7682 72.3239 173.0127 29 F 5.1543 8.2989 118.7516 55.2614 42.0956 173.1966 30 I 4.8853 8.7058 121.6709 59.5099 39.8648 174.9825 31 V 4.9255 8.5724 126.0375 60.1194 35.1585 174.4790 32 T 4.7170 8.8959 119.6268 61.7569 71.1888 172.9596 33 A 4.6642 8.3475 129.1146 50.1748 19.9469 177.1560 34 G 3.8382 9.3105 111.9086 45.3447 0.0000 174.1137 35 A 4.1141 8.5114 123.1534 54.4457 18.5470 178.3285 36 D 4.5331 8.1080 113.4718 53.4596 40.1091 177.2733 37 G 3.4417 8.4260 108.9139 45.0341 0.0000 173.0021 38 A 4.6147 8.0694 122.3391 51.4390 20.2128 176.7588 39 L 5.2467 8.8775 121.9271 53.1433 44.3570 175.8742 40 T 4.8820 8.6800 113.5168 60.0039 72.6429 174.3777 41 G 4.2789 7.2998 108.0648 46.3615 0.0000 171.4635 42 T 5.1491 7.7614 115.2541 61.8753 72.9058 172.3718 43 Y 4.9434 9.4764 126.5372 55.9573 41.6049 174.1057 44 E 5.2424 9.1806 127.6241 54.7916 30.3273 176.8777 45 S 4.4816 9.2152 121.6616 60.8724 63.7506 174.8034 *49 N 4.3762 8.0857 117.2781 52.0333 38.2788 174.9155 50 A 3.9619 8.5412 125.1176 55.1517 18.6231 179.0760 51 E 3.6307 7.9478 114.2502 59.2804 29.7535 177.9001 52 S 4.9561 9.2971 113.6869 58.2770 64.3054 173.6532 53 R 5.2242 7.6969 119.5366 55.0211 31.5563 175.5378 54 Y 4.8940 9.2533 120.3828 55.9143 42.5157 175.0497 55 V 4.3075 8.6150 122.5878 62.9136 32.6445 175.0419 56 L 5.1378 8.9799 127.0789 54.5005 43.8893 175.1075 57 T 4.9490 8.3568 113.6131 61.4620 71.5013 173.1520 58 G 4.3237 8.4112 112.6924 46.4641 0.0000 171.9612 59 R 5.9398 8.8348 117.3255 54.3759 34.9536 174.0157 60 Y 5.2252 8.1358 117.0864 55.9753 40.8675 174.0817 61 D 4.3002 8.9546 121.0094 53.8966 40.7106 176.8792 62 S 4.1242 8.1404 120.7020 59.1214 63.8128 174.8620 63 A 4.6312 8.2155 124.1521 50.3016 19.0436 173.3257 64 P 4.7620 0.0000 0.0000 60.7396 32.9059 176.9469 65 A 4.2782 8.2501 121.0486 52.5056 18.8802 177.0193 66 T 4.5539 8.3962 113.3358 62.0261 67.5769 174.2460 67 D 4.7447 8.2449 116.8060 52.7404 39.5031 177.1231 68 G 3.9994 8.3655 107.2705 45.6943 0.0000 174.5259 69 S 4.3474 7.6569 115.5784 58.0067 63.4745 174.2421 70 G 3.9896 8.3717 110.6058 46.3765 0.0000 172.7216 71 T 4.7902 8.8545 116.8097 61.7596 70.1171 174.9598 72 A 4.8405 8.7156 129.0521 52.1982 20.1283 175.7981 73 L 4.9390 8.7009 119.5804 55.5645 44.6525 173.9621 74 G 5.1370 9.1188 104.8350 45.7494 0.0000 172.2682 75 W 5.8234 8.1775 116.9189 55.5277 32.2524 173.3225 76 T 5.2237 9.3227 116.7248 61.8278 72.3300 173.2890 77 V 4.6006 8.6485 124.4046 60.9217 34.3061 173.9551 78 A 4.4455 8.3103 129.8119 49.8851 19.8819 178.0660 79 W 4.2289 8.2310 125.8758 55.5960 28.0780 176.1811 80 K 5.2085 7.8449 118.3979 54.6220 34.4767 174.4961 81 N 5.0865 8.7300 122.8385 51.6643 39.9401 174.3333 82 N 4.1657 8.5811 114.4956 54.8100 38.6016 175.0770 83 Y 4.6175 8.4948 116.2472 58.5004 40.5376 175.5453 84 R 4.6308 7.9106 114.6912 55.4964 32.5759 173.7451 85 N 4.9391 8.4433 116.4470 53.2171 40.6154 173.4512 86 A 4.3616 9.0204 128.6920 51.5062 19.7297 176.3581 87 H 4.1614 9.0477 114.4933 56.2311 27.0325 173.3382 88 S 5.1531 7.3516 111.2231 57.8929 66.7666 174.7803 89 A 5.0942 9.1708 121.5722 50.7502 22.8238 175.2073 90 T 5.0008 8.6735 117.9700 61.7329 71.9388 173.4096 91 T 5.0047 8.2817 115.0448 59.6004 72.0209 172.6222 92 W 4.9682 8.8025 125.1035 54.7070 31.9111 174.5579 93 S 4.9566 8.4499 119.2708 56.8450 64.7435 172.5798 94 G 4.5630 8.5909 114.3451 46.5277 0.0000 171.6615 95 Q 5.2362 8.4875 118.5295 54.9155 32.5083 173.6521 96 Y 4.8959 9.1274 123.5006 57.0721 40.5609 174.1641 97 V 4.1586 8.3744 126.4811 60.9813 34.4260 175.5958 98 G 4.1055 8.1025 115.7739 44.8705 0.0000 171.0628 99 G 3.8425 8.9544 104.9896 43.9552 0.0000 173.6575 100 A 4.0847 8.6461 120.8819 54.9641 18.4706 178.4823 101 E 4.4079 7.7303 116.7451 54.3962 28.2012 174.8312 102 A 4.6163 7.7199 123.1352 52.1489 19.8253 177.2066 103 R 5.1629 8.9348 115.4384 55.6562 33.7443 173.8855 104 I 4.9145 8.7272 120.7941 59.8509 40.0597 174.3660 105 N 5.3968 9.0054 125.9665 52.1043 40.3661 174.6668 106 T 5.3138 9.2924 113.4816 60.0908 73.0356 172.7003 107 Q 5.1869 9.0007 121.3577 53.9329 32.1804 174.7264 108 W 5.3474 8.4854 118.8590 54.6267 32.4374 173.8511 109 L 5.2634 8.6423 119.7235 52.8840 45.0823 175.2704 110 L 5.1766 9.2631 125.7436 53.5820 44.6210 174.9402 111 T 5.0839 9.0645 123.1491 61.9417 71.3835 173.3733 112 S 5.1624 8.5544 122.0667 56.4690 65.4178 174.3275 113 G 3.9043 8.7968 111.5409 46.5002 0.0000 173.1885 114 T 4.7650 8.2923 113.7283 59.6415 72.4734 173.4384 115 T 4.2398 8.0314 112.5469 60.6023 70.5913 175.4300 116 E 3.9483 8.7390 119.9643 59.4753 29.4729 179.5401 117 A 4.2212 8.0589 119.9799 54.3615 18.8390 177.4602 118 N 4.9845 8.1138 111.3560 52.7900 39.6398 176.2953 119 A 4.1668 8.1556 122.4924 53.8029 18.5595 179.8475 120 W 4.3740 8.3035 112.6254 58.4362 28.4131 176.9531 121 K 4.0076 6.5232 117.5317 56.1548 32.1868 177.1803 122 S 4.3112 7.7600 116.1039 60.7588 64.6329 173.3262 123 T 5.1163 7.6852 116.6227 61.7235 71.0434 173.3737 124 L 4.7572 8.8556 127.0412 53.2993 43.9900 176.0568 125 V 4.3165 7.8482 121.1514 60.2357 34.3323 175.0986 126 G 3.0956 6.4339 108.3038 45.7244 0.0000 171.1422 127 H 5.4894 8.0757 113.8643 54.5604 32.0150 172.1404 128 D 4.8897 9.0931 116.9448 53.6522 45.3651 173.8924 129 T 5.2274 8.5435 120.3783 61.9058 71.9323 172.8174 130 F 5.6337 9.4742 125.0077 56.1470 42.2351 174.7300 131 T 5.4123 9.4088 111.6156 60.2070 72.3072 174.7322 132 K 3.7479 8.8320 119.9633 57.3907 32.6554 177.5886 133 V 3.8838 7.6379 122.7964 62.8008 31.7194 174.7840 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 16 G 8.25 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 17 I 7.39 3.68 1.40 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.26 0.57 0.00 0.00 18 T 7.90 3.88 4.16 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 1.19 0.00 0.00 19 G 7.57 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 20 T 7.45 4.68 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 0.68 0.00 0.00 21 W 8.18 4.85 0.00 1.78 2.62 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 22 Y 9.69 5.38 0.00 2.96 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 23 N 8.93 5.26 0.00 2.60 2.21 0.00 0.00 6.92 6.68 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 24 Q 8.56 4.50 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.50 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 25 L 8.49 4.71 0.00 1.67 1.70 0.98 0.89 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 26 G 8.74 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 0.00 0.00 0.00 27 S 8.28 5.15 0.00 4.21 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 28 T 8.74 5.08 4.18 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 0.00 0.00 0.00 0.95 0.00 0.00 29 F 8.30 5.15 0.00 2.98 2.42 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 30 I 8.71 4.89 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.82 0.00 0.00 31 V 8.57 4.93 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 0.78 0.00 0.00 0.76 0.00 0.00 32 T 8.90 4.72 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 1.18 0.00 0.00 33 A 8.35 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.31 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 35 A 8.51 4.11 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 36 D 8.11 4.53 0.00 2.79 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 37 G 8.43 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 38 A 8.07 4.61 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 39 L 8.88 5.25 0.00 1.75 1.52 0.74 0.50 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 40 T 8.68 4.88 4.22 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 1.21 0.00 0.00 41 G 7.30 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 0.00 0.00 0.00 0.00 42 T 7.76 5.15 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 1.37 0.00 0.00 43 Y 9.48 4.94 0.00 2.86 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 44 E 9.18 5.24 0.00 2.07 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 2.26 2.33 0.00 45 S 9.22 4.48 0.00 4.05 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 0.00 *49 N 8.09 4.38 0.00 2.84 3.00 0.00 0.00 6.15 7.46 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 50 A 8.54 3.96 1.19 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 51 E 7.95 3.63 0.00 1.85 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 1.86 2.12 0.00 52 S 9.30 4.96 0.00 4.09 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 53 R 7.70 5.22 0.00 1.67 1.87 0.00 3.11 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 54 Y 9.25 4.89 0.00 2.88 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 55 V 8.61 4.31 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.98 5.14 0.00 1.78 1.61 0.50 -0.12 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 57 T 8.36 4.95 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 58 G 8.41 4.32 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 0.00 59 R 8.83 5.94 0.00 1.76 1.80 0.00 3.37 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 60 Y 8.14 5.23 0.00 3.11 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 61 D 8.95 4.30 0.00 2.81 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 62 S 8.14 4.12 0.00 3.88 3.48 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 63 A 8.22 4.63 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 64 P 0.00 4.76 0.00 2.27 2.20 0.00 3.43 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.25 4.28 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 66 T 8.40 4.55 4.27 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 1.24 0.00 0.00 67 D 8.24 4.74 0.00 2.83 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 68 G 8.37 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 69 S 7.66 4.35 0.00 3.87 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 70 G 8.37 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 71 T 8.85 4.79 4.56 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 1.46 0.00 0.00 72 A 8.72 4.84 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 73 L 8.70 4.94 0.00 2.14 1.95 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.12 5.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.18 5.82 0.00 3.35 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 76 T 9.32 5.22 4.27 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 1.23 0.00 0.00 77 V 8.65 4.60 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 -0.29 0.00 0.00 0.70 0.00 0.00 78 A 8.31 4.45 1.16 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 0.00 0.00 79 W 8.23 4.23 0.00 3.34 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 80 K 7.84 5.21 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.44 7.81 81 N 8.73 5.09 0.00 2.90 2.74 0.00 0.00 6.65 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 82 N 8.58 4.17 0.00 1.66 2.28 0.00 0.00 6.58 7.46 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 83 Y 8.49 4.62 0.00 3.00 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 R 7.91 4.63 0.00 2.20 2.11 0.00 3.16 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 85 N 8.44 4.94 0.00 2.68 2.66 0.00 0.00 6.89 7.96 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 86 A 9.02 4.36 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 87 H 9.05 4.16 0.00 3.28 3.29 0.00 5.66 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 88 S 7.35 5.15 0.00 4.03 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 89 A 9.17 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.67 5.00 4.04 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 -0.40 0.00 0.00 91 T 8.28 5.00 4.16 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 1.15 0.00 0.00 92 W 8.80 4.97 0.00 1.78 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 0.00 0.00 0.00 93 S 8.45 4.96 0.00 3.84 3.64 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 0.00 0.00 0.00 94 G 8.59 4.56 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 0.00 0.00 0.00 95 Q 8.49 5.24 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.13 4.90 0.00 3.04 2.92 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 97 V 8.37 4.16 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 0.91 0.00 0.00 0.91 0.00 0.00 98 G 8.10 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 99 G 8.95 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 0.00 100 A 8.65 4.08 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 0.00 101 E 7.73 4.41 0.00 1.95 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 0.00 2.23 2.26 0.00 102 A 7.72 4.62 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 0.00 103 R 8.93 5.16 0.00 2.19 2.19 0.00 2.77 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 104 I 8.73 4.91 1.79 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.07 1.12 0.00 0.00 105 N 9.01 5.40 0.00 2.75 2.82 0.00 0.00 6.09 7.18 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 0.00 106 T 9.29 5.31 4.51 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 1.45 0.00 0.00 107 Q 9.00 5.19 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 108 W 8.49 5.35 0.00 2.73 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 0.00 0.00 0.00 0.00 109 L 8.64 5.26 0.00 1.53 1.52 0.87 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.26 5.18 0.00 1.70 1.67 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.06 5.08 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 1.19 0.00 0.00 112 S 8.55 5.16 0.00 3.70 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 0.00 113 G 8.80 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 0.00 0.00 0.00 114 T 8.29 4.77 4.16 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 1.20 0.00 0.00 115 T 8.03 4.24 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 1.21 0.00 0.00 116 E 8.74 3.95 0.00 2.07 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 0.00 2.41 2.32 0.00 117 A 8.06 4.22 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 0.00 118 N 8.11 4.98 0.00 2.69 2.60 0.00 0.00 6.71 7.41 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 0.00 119 A 8.16 4.17 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 0.00 120 W 8.30 4.37 0.00 3.58 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 0.00 121 K 6.52 4.01 0.00 1.07 0.74 0.00 1.13 0.00 0.00 0.92 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.71 7.81 122 S 7.76 4.31 0.00 4.02 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 0.00 123 T 7.69 5.12 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 1.23 0.00 0.00 124 L 8.86 4.76 0.00 1.80 1.72 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.85 4.32 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 0.54 0.00 0.00 0.64 0.00 0.00 126 G 6.43 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 0.00 0.00 0.00 127 H 8.08 5.49 0.00 3.21 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.09 4.89 0.00 3.23 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 0.00 129 T 8.54 5.23 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 1.42 0.00 0.00 130 F 9.47 5.63 0.00 3.13 3.21 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 0.00 131 T 9.41 5.41 4.39 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 1.43 0.00 0.00 132 K 8.83 3.75 0.00 1.58 1.67 0.00 1.19 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.91 7.81 133 V 7.64 3.88 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 0.71 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.