NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4707 8.3049 120.3487 55.5378 33.4156 174.4875 2 V 4.4319 7.9300 116.6242 58.3503 35.7721 172.6744 3 Q 4.6271 8.3871 118.8000 55.3287 32.3643 173.4784 4 Q 4.5084 8.0877 118.4049 54.6822 32.0481 174.0358 5 K 4.2665 8.5651 125.0218 56.2561 32.8859 176.7622 6 V 4.4973 7.9787 115.4965 59.4419 35.5650 174.2925 7 E 4.3111 8.5023 122.7814 54.5478 30.3850 175.8711 8 V 3.7287 8.3808 126.4008 63.2383 31.2887 175.4829 9 R 4.4771 8.3360 125.6246 55.9144 31.0926 176.8803 10 L 4.2085 7.5224 117.8479 54.0486 42.3449 176.3832 11 K 4.3110 8.4217 122.7579 56.7630 32.8979 176.0414 12 T 4.7290 8.4274 116.2252 60.4192 72.5894 172.6227 13 G 4.3352 8.1329 107.7938 45.2980 0.0000 172.6436 14 L 4.1803 8.4565 119.6577 54.8720 42.3490 178.3149 15 Q 4.2555 8.4707 120.8560 55.3162 30.7577 177.4631 16 A 4.0085 8.4579 123.5581 55.4178 18.4249 180.2038 17 R 3.8627 7.9366 116.8736 59.1179 30.3863 176.8917 18 P 4.6467 0.0000 0.0000 65.0962 31.3311 178.2967 19 A 4.0321 8.0902 120.5008 55.0902 18.3494 179.4351 20 A 4.0141 8.4407 119.7577 55.3479 18.4605 179.8949 21 L 3.9693 8.3138 117.5981 57.4517 41.5888 179.4254 22 F 3.2342 8.2518 120.8995 61.0985 39.2729 177.3887 23 V 3.7286 8.0657 117.8758 65.9947 31.0699 177.8803 24 Q 3.9217 7.8935 117.0016 59.0062 28.9405 178.2658 25 E 3.8991 7.9831 119.9135 59.1847 29.6631 178.7289 26 A 4.1222 8.1003 121.1402 55.0901 18.1797 179.1830 27 N 4.4122 8.1589 114.2951 55.7872 38.6470 177.0811 28 R 3.8642 7.4846 118.1512 56.5338 30.4268 176.2237 29 F 5.0851 7.1460 117.3451 55.5801 41.7405 175.7462 30 T 4.1632 9.1187 113.6956 64.0433 68.9034 175.7338 31 S 4.4844 8.3246 118.7874 58.8265 64.0870 173.7141 32 D 4.6215 9.0237 122.9943 54.0964 42.3668 175.7103 33 V 4.8852 7.6076 119.9884 61.3454 35.3460 174.0570 34 F 5.4325 9.4861 124.5785 55.7571 43.9964 173.1874 35 L 5.2579 8.8124 121.6245 53.4616 45.3572 174.8568 36 E 5.2526 9.2167 125.3992 54.6227 33.8128 173.9695 37 K 4.6296 8.9737 126.5334 55.7124 36.1186 175.6699 38 D 4.5388 9.8575 127.5564 55.5434 38.3762 174.7051 39 G 3.8733 8.3858 104.7424 45.1860 0.0000 173.1819 40 K 4.4135 8.0558 121.9269 54.2747 33.4408 174.2673 41 K 5.1799 8.5775 127.5136 54.7629 34.2611 175.3926 42 V 4.6498 8.8210 120.0228 59.1728 36.1753 174.4629 43 N 4.6942 8.7618 121.8812 53.5922 39.4028 175.2875 44 A 4.1592 8.7075 129.6315 53.2296 18.7936 177.5457 45 K 4.4166 8.3382 114.9189 55.8818 32.5928 176.0421 46 S 4.7131 7.7103 115.3540 56.3541 63.6592 175.5292 47 I 3.9653 8.3734 127.1220 62.0311 36.3528 177.3318 *49 G 4.0170 8.2163 110.3399 45.8617 0.0000 176.5253 50 L 3.8652 7.9642 119.2695 54.9032 41.1755 179.2984 *52 S 4.3705 8.0247 114.6220 57.7944 64.7771 173.8517 53 L 3.8801 7.4023 122.8669 54.5739 42.1278 176.0641 54 A 4.4318 8.4746 127.8249 52.2567 18.2316 176.7648 55 V 4.6010 8.4649 113.7849 60.6657 36.2366 175.5863 56 S 4.8180 8.3788 117.6609 56.5864 66.9483 173.9244 57 T 4.0377 8.5313 119.9203 65.5103 68.6264 174.7591 58 G 3.9245 8.9605 114.1514 45.4237 0.0000 173.4622 59 T 4.2511 7.3718 113.7113 61.3914 68.2737 173.1612 60 E 4.6546 8.3392 123.6112 55.0667 31.1166 175.9256 61 V 4.6377 7.9470 114.0210 60.1493 36.5290 174.5902 62 T 4.5623 8.7468 118.9976 61.9171 70.4556 173.5461 63 L 4.9230 8.5758 128.8985 54.1450 43.6427 175.6329 64 I 4.8507 9.0078 125.8758 59.5127 41.0022 174.2278 65 A 5.3757 8.7358 127.3980 50.1810 22.2081 175.2595 66 Q 4.6459 9.9202 119.9252 53.6273 32.4135 175.5320 67 G 4.3429 8.6876 111.0655 44.6139 0.0000 172.0857 68 E 3.9581 8.6289 119.9976 58.7496 29.6042 177.7407 69 D 5.0384 7.8835 117.2397 52.7360 40.2651 177.8654 70 E 3.8353 8.0587 121.4874 60.6625 29.2201 178.2272 71 Q 3.8791 7.9346 120.0188 58.8950 29.2822 177.7991 72 E 3.9047 8.0513 118.0621 59.1707 29.6685 178.7382 73 A 2.0000 7.6171 121.7860 54.0719 18.3084 179.2786 74 L 3.7757 7.7161 118.8170 58.3306 42.2657 179.0026 75 E 3.9245 7.9288 118.3999 59.3264 29.4074 179.3748 76 K 3.9923 7.8325 119.5560 59.5527 32.2240 178.9570 77 L 3.9163 8.0722 119.2760 57.4406 41.4823 179.2562 78 A 4.0365 8.5047 121.1644 55.0983 18.3113 179.5485 79 A 3.9626 7.9504 118.8635 55.2980 18.3225 179.2255 80 Y 3.9033 8.0401 118.0267 61.0006 38.7459 178.5258 81 V 3.6338 8.0984 117.8752 65.6927 31.6948 176.9661 82 Q 4.2704 7.9156 114.9665 54.5862 29.5834 175.2954 83 E 3.7467 7.7980 118.5364 57.7939 27.4682 174.2839 84 E 4.7510 8.4662 111.4965 55.7073 31.1627 177.2891 85 V 3.7431 7.9017 118.2444 62.9144 32.3854 175.1018 86 L 4.4159 8.2585 126.7939 53.9311 42.7133 176.8399 87 Q 4.1754 8.5377 119.6001 56.3823 28.6480 176.2635 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 8.30 4.47 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 V 7.93 4.43 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.39 4.63 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 4 Q 8.09 4.51 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 5 K 8.57 4.27 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.46 7.81 6 V 7.98 4.50 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 0.76 0.00 0.00 0.93 0.00 0.00 7 E 8.50 4.31 0.00 1.92 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 2.23 2.28 0.00 8 V 8.38 3.73 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 0.85 0.00 0.00 0.93 0.00 0.00 9 R 8.34 4.48 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 10 L 7.52 4.21 0.00 1.63 1.60 0.92 0.88 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 11 K 8.42 4.31 0.00 1.76 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 12 T 8.43 4.73 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 1.21 0.00 0.00 13 G 8.13 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 14 L 8.46 4.18 0.00 1.62 1.63 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.47 4.26 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 16 A 8.46 4.01 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 17 R 7.94 3.86 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 18 P 0.00 4.65 0.00 2.41 2.37 0.00 3.96 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.92 0.00 19 A 8.09 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.44 4.01 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 21 L 8.31 3.97 0.00 1.87 1.73 1.02 0.81 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 22 F 8.25 3.23 0.00 3.34 3.19 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 23 V 8.07 3.73 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 1.12 0.00 0.00 1.18 0.00 0.00 24 Q 7.89 3.92 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 25 E 7.98 3.90 0.00 1.74 1.62 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 2.14 2.32 0.00 26 A 8.10 4.12 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 27 N 8.16 4.41 0.00 2.81 2.84 0.00 0.00 7.06 7.60 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 28 R 7.48 3.86 0.00 1.10 1.30 0.00 2.95 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 29 F 7.15 5.09 0.00 3.11 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 30 T 9.12 4.16 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 31 S 8.32 4.48 0.00 3.81 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 32 D 9.02 4.62 0.00 2.72 2.46 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 33 V 7.61 4.89 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 1.32 0.00 0.00 0.94 0.00 0.00 34 F 9.49 5.43 0.00 3.03 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 35 L 8.81 5.26 0.00 1.67 1.42 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.22 5.25 0.00 2.04 1.71 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 2.19 2.36 0.00 37 K 8.97 4.63 0.00 1.84 1.57 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.42 7.81 38 D 9.86 4.54 0.00 2.81 2.68 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 39 G 8.39 3.87 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 0.00 0.00 0.00 40 K 8.06 4.41 0.00 1.83 1.82 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 41 K 8.58 5.18 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 1.43 7.81 42 V 8.82 4.65 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 0.67 0.00 0.00 1.01 0.00 0.00 43 N 8.76 4.69 0.00 2.86 2.73 0.00 0.00 6.91 8.73 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 44 A 8.71 4.16 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 45 K 8.34 4.42 0.00 1.81 1.82 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.33 7.81 46 S 7.71 4.71 0.00 3.86 3.88 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 47 I 8.37 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 1.37 0.67 0.92 0.00 0.00 *49 G 8.22 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 50 L 7.96 3.87 0.00 1.87 1.58 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *52 S 8.02 4.37 0.00 4.00 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 0.00 53 L 7.40 3.88 0.00 1.61 1.59 0.94 1.01 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 54 A 8.47 4.43 1.24 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 0.00 0.00 55 V 8.46 4.60 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 0.72 0.00 0.00 0.96 0.00 0.00 56 S 8.38 4.82 0.00 3.72 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 57 T 8.53 4.04 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 1.20 0.00 0.00 58 G 8.96 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 0.00 0.00 0.00 59 T 7.37 4.25 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 1.25 0.00 0.00 60 E 8.34 4.65 0.00 1.99 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 2.24 2.25 0.00 61 V 7.95 4.64 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 0.71 0.00 0.00 0.94 0.00 0.00 62 T 8.75 4.56 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 1.23 0.00 0.00 63 L 8.58 4.92 0.00 1.72 1.62 1.21 1.11 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 64 I 9.01 4.85 2.13 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 1.21 0.70 1.01 0.00 0.00 65 A 8.74 5.38 1.14 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 66 Q 9.92 4.65 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 67 G 8.69 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 68 E 8.63 3.96 0.00 1.96 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 0.00 2.31 2.27 0.00 69 D 7.88 5.04 0.00 3.15 2.93 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 0.00 0.00 0.00 70 E 8.06 3.84 0.00 2.29 2.46 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 2.35 2.32 0.00 71 Q 7.93 3.88 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 72 E 8.05 3.90 0.00 2.33 2.22 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 2.43 2.48 0.00 73 A 7.62 2.00 0.83 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 74 L 7.72 3.78 0.00 1.80 1.75 0.93 0.84 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 75 E 7.93 3.92 0.00 2.15 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 2.31 2.45 0.00 76 K 7.83 3.99 0.00 1.97 1.86 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.88 1.56 7.81 77 L 8.07 3.92 0.00 1.68 1.52 0.67 0.03 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 78 A 8.50 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.96 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 80 Y 8.04 3.90 0.00 3.13 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 81 V 8.10 3.63 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 0.94 0.00 0.00 1.39 0.00 0.00 82 Q 7.92 4.27 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 83 E 7.80 3.75 0.00 2.06 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 2.07 2.13 0.00 84 E 8.47 4.75 0.00 1.85 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 0.00 2.22 2.32 0.00 85 V 7.90 3.74 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 0.86 0.00 0.00 1.08 0.00 0.00 86 L 8.26 4.42 0.00 1.68 1.59 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.54 4.18 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.