NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9176 8.3549 109.7356 45.1664 0.0000 174.3068 4 D 4.3174 7.9163 119.2190 54.0155 41.6132 173.9787 5 T 4.5335 8.1763 118.2087 62.7655 70.6496 173.6819 6 T 5.1574 8.4757 117.3952 60.2813 70.9229 174.0369 7 I 4.8041 8.6523 116.1154 59.7587 41.7439 173.6979 8 T 5.1094 8.4871 119.2556 61.9728 71.1273 173.3521 9 I 4.6561 9.1350 126.0599 59.1357 41.6424 173.8813 10 V 4.8079 8.7000 127.9737 60.6015 34.0666 174.9881 11 G 3.9646 7.7053 112.2217 46.9241 0.0000 170.7886 12 N 6.1860 7.5973 115.7352 50.5829 42.1289 174.6956 13 L 4.6413 8.2406 120.9959 54.8645 42.1193 178.1256 14 T 4.1888 8.8690 121.9527 65.7225 68.9808 173.9891 15 A 4.2791 7.8810 122.3506 51.4041 21.2274 175.0952 16 D 4.4119 8.7427 118.7433 54.3274 41.3044 175.8125 17 P 4.4701 0.0000 0.0000 62.8639 32.4254 175.8581 18 E 4.4053 9.4408 123.8733 55.1762 30.7042 174.6754 19 L 4.8395 8.3272 127.2733 53.5380 43.7731 175.5064 20 R 4.6179 8.5493 124.0146 54.7785 35.6136 173.6452 21 F 5.2919 8.4537 117.8323 55.7120 42.2070 175.7861 22 T 4.1187 8.8068 114.4962 60.8363 69.0456 173.3724 23 P 4.4233 0.0000 0.0000 65.2561 31.3811 177.7755 24 S 4.2827 7.6668 112.5502 59.9358 63.3722 174.1606 25 G 3.6967 8.0197 109.7860 45.4135 0.0000 174.2904 26 A 4.3369 7.8411 122.5250 52.5373 19.3442 177.1421 27 A 4.5091 8.8010 122.9862 51.6506 20.7359 176.6594 28 V 4.0752 8.1503 119.2488 61.1665 35.4719 173.3764 29 A 5.1497 8.8779 129.8460 50.1768 21.7547 174.4479 30 N 5.4753 8.8638 120.4956 51.5610 41.6629 173.8754 31 F 5.0793 8.1852 116.2985 56.4729 42.0799 172.4989 32 T 4.9359 8.5450 113.2411 60.3259 70.8395 172.1861 33 V 4.7474 8.9886 128.4686 61.2854 34.1087 174.1513 34 A 4.3841 8.6094 130.1375 50.3188 20.6366 175.3298 35 S 4.8421 9.0267 118.4370 57.9070 64.1394 173.0045 36 T 4.8034 8.2792 123.9589 61.0815 70.3229 172.4813 37 P 4.6117 0.0000 0.0000 62.8005 32.8678 174.9140 38 R 4.9152 8.3693 116.1607 55.0144 31.6498 175.6198 39 I 4.7212 8.5684 123.2109 61.3626 42.0783 174.9602 *40 Y 4.5101 7.9047 124.2787 58.8183 39.7415 173.6288 41 D 4.3253 9.1662 117.2540 54.6431 44.8295 171.8063 42 R 3.4813 9.4513 116.2319 58.8545 26.5030 181.0465 43 Q 3.7778 9.6261 123.6317 55.9295 25.0891 171.9009 44 T 4.2139 7.9613 108.5168 62.9898 71.3764 175.9456 *46 E 4.0966 8.3303 120.1701 57.2212 30.8797 179.9189 *47 W 4.9001 8.3750 126.1722 54.4983 31.3162 171.3378 48 K 4.7736 8.8112 119.5443 56.0340 35.6831 174.5831 49 D 5.3808 8.0719 123.0087 51.8077 41.5150 177.0756 50 G 4.0400 8.2376 109.5894 46.0137 0.0000 174.0594 51 E 3.9277 9.0826 114.8006 57.0442 29.6507 168.9596 52 A 3.9230 7.5847 126.2955 51.8655 18.1767 176.3110 53 L 4.8643 8.8928 125.0214 53.9357 44.5343 175.2030 54 F 5.1735 9.1410 124.4733 55.8732 41.1473 174.5922 55 L 4.8199 8.7034 124.2645 52.7504 44.7686 176.0574 56 R 4.6434 8.5621 123.8820 55.9333 31.8273 174.6444 57 C 5.2548 9.7762 122.1713 57.8718 32.1755 172.6917 58 N 5.3073 8.5742 118.2525 51.5739 42.2917 173.3813 59 I 5.0889 8.4875 121.3118 59.5614 42.4665 174.0285 60 W 5.0411 8.8232 127.2545 54.6183 32.3864 175.6156 61 R 3.6672 8.9830 118.1641 58.0046 28.1657 177.7662 62 E 4.1999 8.7662 118.8369 58.9814 29.9912 178.4605 63 A 3.9932 7.9710 120.9524 54.7350 19.0505 179.5161 64 A 3.9831 7.9454 118.8436 55.2896 17.9656 179.7071 65 E 4.1872 8.1626 116.5805 59.2301 29.5393 179.0013 66 N 4.4063 7.6165 116.6308 55.7956 38.6665 177.4810 67 V 3.4139 8.0388 119.7997 66.0592 31.4329 177.5917 68 A 3.9075 8.0674 119.4166 55.5546 18.2175 178.8685 69 E 4.0826 7.7013 115.2681 58.1626 29.8064 177.8846 70 S 4.5130 7.7871 113.7309 58.4426 64.8183 174.4029 71 L 4.5180 7.5448 120.6828 53.4813 42.6705 175.8281 72 T 4.7141 7.7330 110.5377 59.6702 71.9693 172.7323 73 R 3.7581 8.8278 122.0466 57.8746 30.3052 177.0732 74 G 3.8563 9.1232 112.2151 45.7878 0.0000 173.5325 75 A 4.2302 7.4262 121.6391 51.5461 19.9826 177.0515 76 R 4.7022 8.4931 121.4559 55.7149 31.7485 175.6665 77 V 4.9423 9.5135 119.4612 59.5959 36.6719 174.0368 78 I 4.9130 8.3910 122.8928 59.2961 40.4540 174.3100 79 V 4.7020 9.2921 129.9272 61.0803 34.6110 173.9078 80 S 5.0616 8.9345 122.2299 56.8778 65.0898 172.8414 81 G 3.9637 8.6818 113.9256 46.1427 0.0000 171.2696 82 R 5.2734 8.5022 118.9383 54.1593 34.2027 175.1651 83 L 4.5974 8.7535 124.6668 54.9120 42.3324 176.8588 84 K 4.8345 9.5336 122.5155 54.5997 36.8271 175.0609 85 Q 5.0283 8.5706 121.2212 54.7483 30.7402 176.1327 86 R 4.3428 8.6903 125.1346 55.8199 32.9726 175.9973 87 S 4.4495 8.6221 111.8037 56.3715 62.9782 172.9353 *96 R 4.0748 7.9759 122.8337 57.2840 30.3370 172.4286 97 T 3.2219 8.3131 122.9976 63.3344 67.3992 171.5260 98 V 4.5568 7.9626 124.7598 60.9315 35.8831 173.7840 99 I 4.9112 8.2738 123.2129 59.6368 39.3097 174.9899 100 E 4.7759 9.8061 126.8235 54.3781 34.1598 174.7331 101 V 4.7014 8.3111 119.9349 61.2722 34.1464 174.1286 102 E 4.4327 9.0633 130.5596 54.9792 30.2833 175.6422 103 V 4.0339 8.5045 128.4148 63.6034 31.8800 175.1504 104 D 4.9088 9.4277 127.1038 55.7497 43.2285 176.2888 105 E 4.9557 7.8768 115.4857 55.2553 34.1840 174.2383 106 I 4.8483 7.6173 120.8137 61.1762 41.1822 173.4156 107 G 4.2817 8.2323 112.7346 44.4951 0.0000 170.3458 108 P 4.9416 0.0000 0.0000 62.1747 32.1240 176.1654 109 S 4.1181 8.8634 120.4203 58.0241 62.8767 173.5445 110 L 5.1896 8.2257 126.0319 54.3807 41.9307 178.1721 111 R 3.7665 7.7323 120.6229 59.3322 29.8843 177.5432 112 Y 4.8228 7.4582 111.6627 57.0318 39.0850 174.9292 113 A 4.5442 7.5950 120.8377 51.5886 21.8617 177.0278 114 T 4.7194 7.9756 110.6862 60.6488 71.1736 173.6918 115 A 4.2017 7.8321 119.6916 51.6052 21.3576 176.2513 116 K 4.2813 8.5081 123.9342 54.4922 31.7191 176.2811 117 V 3.7623 7.9195 125.4209 62.6498 32.1847 175.6934 118 N 4.7261 8.2278 122.4097 51.7108 39.9556 174.2236 119 K 4.0378 8.4928 124.8219 56.3222 32.9151 177.3357 120 A 4.1887 8.4263 123.2618 52.5885 18.4508 177.5733 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 3 G 8.35 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 4 D 7.92 4.32 0.00 2.76 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 5 T 8.18 4.53 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 6 T 8.48 5.16 4.29 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 1.21 0.00 0.00 7 I 8.65 4.80 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 1.24 0.72 0.92 0.00 0.00 8 T 8.49 5.11 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 1.26 0.00 0.00 9 I 9.14 4.66 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 1.12 1.48 0.99 0.00 0.00 10 V 8.70 4.81 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 0.92 0.00 0.00 11 G 7.71 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.60 6.19 0.00 2.70 2.69 0.00 0.00 6.98 6.40 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 13 L 8.24 4.64 0.00 1.68 1.75 0.77 0.58 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 14 T 8.87 4.19 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 1.35 0.00 0.00 15 A 7.88 4.28 1.25 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 0.00 0.00 0.00 16 D 8.74 4.41 0.00 2.67 2.64 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 17 P 0.00 4.47 0.00 1.88 1.90 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 18 E 9.44 4.41 0.00 1.93 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 2.26 2.26 0.00 19 L 8.33 4.84 0.00 1.51 1.45 0.64 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.55 4.62 0.00 1.50 1.67 0.00 3.26 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 21 F 8.45 5.29 0.00 2.85 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.81 4.12 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 P 0.00 4.42 0.00 2.24 2.27 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 2.00 0.00 24 S 7.67 4.28 0.00 4.10 4.09 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 0.00 0.00 0.00 0.00 25 G 8.02 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 0.00 0.00 0.00 26 A 7.84 4.34 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.51 1.22 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 0.00 0.00 28 V 8.15 4.08 1.56 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 0.07 0.00 0.00 -0.07 0.00 0.00 29 A 8.88 5.15 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 30 N 8.86 5.48 0.00 2.62 2.60 0.00 0.00 6.15 8.97 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 31 F 8.19 5.08 0.00 3.03 3.08 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 32 T 8.54 4.94 4.29 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 1.32 0.00 0.00 33 V 8.99 4.75 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 1.14 0.00 0.00 34 A 8.61 4.38 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 4.84 0.00 3.85 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 36 T 8.28 4.80 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 1.22 0.00 0.00 37 P 0.00 4.61 0.00 2.15 2.03 0.00 3.47 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 38 R 8.37 4.92 0.00 1.79 1.89 0.00 3.02 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 39 I 8.57 4.72 2.04 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 1.10 0.68 0.92 0.00 0.00 *40 Y 7.90 4.51 0.00 2.26 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 0.00 0.00 0.00 41 D 9.17 4.33 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.45 3.48 0.00 1.93 1.82 0.00 3.32 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 43 Q 9.63 3.78 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.23 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 44 T 7.96 4.21 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 *46 E 8.33 4.10 0.00 2.01 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 2.13 1.88 0.00 *47 W 8.38 4.90 0.00 2.26 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 48 K 8.81 4.77 0.00 1.76 1.61 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 D 8.07 5.38 0.00 2.73 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 50 G 8.24 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 0.00 0.00 0.00 51 E 9.08 3.93 0.00 2.00 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 2.24 1.92 0.00 52 A 7.58 3.92 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 53 L 8.89 4.86 0.00 1.76 1.53 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.14 5.17 0.00 2.84 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 55 L 8.70 4.82 0.00 1.58 1.53 0.93 0.46 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 56 R 8.56 4.64 0.00 1.88 1.73 0.00 3.09 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 57 C 9.78 5.25 0.00 1.23 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 0.00 0.00 0.00 58 N 8.57 5.31 0.00 2.69 2.53 0.00 0.00 6.47 7.63 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 59 I 8.49 5.09 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.81 1.11 0.00 0.00 60 W 8.82 5.04 0.00 3.26 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 61 R 8.98 3.67 0.00 2.04 1.87 0.00 3.40 0.00 0.00 3.53 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 62 E 8.77 4.20 0.00 2.12 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 2.44 2.41 0.00 63 A 7.97 3.99 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 64 A 7.95 3.98 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 65 E 8.16 4.19 0.00 2.22 2.05 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 2.48 2.43 0.00 66 N 7.62 4.41 0.00 2.89 2.85 0.00 0.00 6.48 7.56 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 67 V 8.04 3.41 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 0.77 0.00 0.00 0.93 0.00 0.00 68 A 8.07 3.91 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 69 E 7.70 4.08 0.00 2.20 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 2.35 0.00 70 S 7.79 4.51 0.00 3.82 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 71 L 7.54 4.52 0.00 1.41 1.42 0.63 0.63 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 72 T 7.73 4.71 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 1.18 0.00 0.00 73 R 8.83 3.76 0.00 1.85 1.87 0.00 3.52 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 74 G 9.12 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.43 4.23 1.25 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 0.00 0.00 0.00 76 R 8.49 4.70 0.00 1.98 1.85 0.00 3.36 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 77 V 9.51 4.94 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 0.66 0.00 0.00 0.96 0.00 0.00 78 I 8.39 4.91 1.86 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 1.12 1.49 0.90 0.00 0.00 79 V 9.29 4.70 2.14 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 0.97 0.00 0.00 1.07 0.00 0.00 80 S 8.93 5.06 0.00 3.91 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 81 G 8.68 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.50 5.27 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 83 L 8.75 4.60 0.00 1.53 1.61 0.93 0.81 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 84 K 9.53 4.83 0.00 1.64 1.63 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 85 Q 8.57 5.03 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 86 R 8.69 4.34 0.00 1.81 1.92 0.00 3.27 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 87 S 8.62 4.45 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 *96 R 7.98 4.07 0.00 2.15 2.02 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 97 T 8.31 3.22 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 1.24 0.00 0.00 98 V 7.96 4.56 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 1.11 0.00 0.00 0.93 0.00 0.00 99 I 8.27 4.91 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 1.35 0.79 0.92 0.00 0.00 100 E 9.81 4.78 0.00 1.81 1.91 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 2.18 2.20 0.00 101 V 8.31 4.70 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 0.94 0.00 0.00 0.92 0.00 0.00 102 E 9.06 4.43 0.00 2.12 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 2.36 2.39 0.00 103 V 8.50 4.03 2.28 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 0.97 0.00 0.00 1.06 0.00 0.00 104 D 9.43 4.91 0.00 2.76 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 0.00 105 E 7.88 4.96 0.00 1.85 1.79 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 2.32 2.27 0.00 106 I 7.62 4.85 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.58 0.94 0.00 0.00 107 G 8.23 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 0.00 108 P 0.00 4.94 0.00 2.07 2.04 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 109 S 8.86 4.12 0.00 3.84 3.80 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 0.00 110 L 8.23 5.19 0.00 1.63 1.62 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.73 3.77 0.00 1.46 1.43 0.00 2.95 0.00 0.00 2.87 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 112 Y 7.46 4.82 0.00 2.95 2.84 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 0.00 113 A 7.60 4.54 1.25 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 0.00 0.00 0.00 114 T 7.98 4.72 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 0.00 115 A 7.83 4.20 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 0.00 116 K 8.51 4.28 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 117 V 7.92 3.76 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 0.81 0.00 0.00 0.92 0.00 0.00 118 N 8.23 4.73 0.00 2.66 2.66 0.00 0.00 7.04 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 0.00 119 K 8.49 4.04 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.45 7.81 120 A 8.43 4.19 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 * Residues marked with a * may have inaccurate shift predictions.