NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7203 8.4244 117.7886 52.9211 38.3715 173.2780 6 H 4.3279 8.1841 125.1003 58.3617 31.4718 173.2115 7 I 4.4547 7.8827 118.4337 60.7743 38.2842 174.6170 8 R 4.5968 9.0014 128.0516 54.4235 32.5367 174.3970 9 L 5.1341 8.4296 125.3312 53.0889 43.9963 175.9146 10 R 4.7133 8.6537 121.9799 53.7345 34.6133 174.6407 11 K 4.3293 8.5122 122.5484 56.0765 32.9252 176.2257 12 A 4.1362 8.5715 131.0437 51.5698 18.5358 176.9456 13 E 4.1736 9.0476 121.6154 57.2123 31.3553 178.2542 14 G 3.7885 8.7646 108.8511 44.4894 0.0000 170.6894 15 K 4.6224 8.4247 119.9551 55.1637 33.7899 176.6317 16 W 5.1682 9.4242 127.5599 54.8955 32.4469 174.8512 17 V 5.1214 9.1555 123.4313 61.1471 34.7134 173.8681 18 I 4.9186 8.5944 126.9298 59.0872 40.6112 174.3904 19 R 4.9405 8.8851 124.9074 55.5057 33.6199 173.7738 20 T 4.6256 8.1690 110.6607 59.9631 71.2394 174.1523 21 D 4.6184 8.7472 119.8400 54.8331 39.6089 176.6201 22 S 4.5736 8.0748 111.2844 57.9299 65.2661 173.4520 23 A 4.4911 7.5340 122.7078 51.2768 21.6957 175.1546 24 V 4.3203 8.1793 120.3694 61.6100 32.5016 175.7490 25 L 4.4118 8.3343 127.2698 55.8256 43.3075 176.7723 26 G 4.2164 7.2022 102.3587 44.7507 0.0000 172.3720 27 E 5.4712 8.9194 122.1964 54.7532 33.1069 175.0204 28 T 4.7561 9.2689 117.2924 60.9782 71.2763 173.9480 29 L 4.9651 8.5956 124.4397 54.1954 42.3385 176.3891 30 N 5.0577 7.9655 116.2968 52.6269 39.8579 174.6017 31 A 4.2538 7.9828 119.0034 52.1395 20.1168 177.2769 32 I 4.6491 8.5631 120.9505 59.3726 40.4790 174.2696 33 E 4.7190 9.2161 128.5936 54.6972 31.3320 174.1307 34 L 5.0706 8.9162 129.6195 53.6695 44.5464 174.8588 35 T 4.8314 8.8150 123.3927 61.6928 71.6774 172.7312 36 E 4.4852 8.8275 127.8645 53.9695 31.3677 175.5441 37 G 3.8394 8.0378 118.6721 47.2565 0.0000 173.5373 38 S 4.6908 8.6031 118.8615 57.6749 63.0642 174.3731 39 R 4.1644 7.5580 119.5939 56.4812 30.3583 176.2309 40 D 4.5732 8.4173 119.8435 53.4577 41.4316 174.9929 41 P 4.6915 0.0000 0.0000 63.1393 32.3094 175.4844 42 V 4.5414 8.9902 121.8413 61.3351 34.2220 174.1899 43 I 4.5467 8.3961 128.2600 60.3291 38.5607 174.4451 44 Y 4.7961 9.0571 125.2252 56.3399 40.3912 174.6162 45 F 5.0954 9.7162 124.1587 54.8468 41.4264 174.0408 46 P 3.2245 0.0000 0.0000 62.0444 31.9677 177.1870 47 R 3.6622 8.2945 122.0018 59.3527 30.0624 178.1946 48 E 3.9640 7.9354 113.9931 58.4344 29.3509 176.9237 49 D 4.7293 8.1163 118.8439 53.8029 41.3608 175.5769 50 V 4.4582 7.3372 119.1711 60.5659 33.6153 175.2949 51 A 4.1527 8.4690 130.0255 52.0563 18.9480 177.8159 *53 V 3.8806 7.9245 117.9089 61.4539 32.8075 175.5896 *55 F 4.7520 7.9120 117.0856 58.7174 40.4772 174.7932 56 D 5.1158 9.0085 122.0727 52.0181 43.7587 175.4729 57 K 3.7258 9.0982 125.3419 56.7528 32.7760 175.9164 58 S 4.7432 8.3955 122.0036 56.6812 64.0288 173.9614 59 E 4.0926 8.7070 122.0294 58.5088 29.6511 177.8230 60 K 4.0743 7.8090 120.3757 56.8477 32.6109 176.6882 61 V 5.1574 8.1654 118.5627 60.1554 36.0159 174.4630 62 T 4.8264 8.8103 111.9254 60.0015 72.4380 172.2750 63 A 5.1642 8.6508 124.9410 50.6060 21.2037 175.6619 64 C 4.7474 9.0817 122.8683 56.8629 33.6685 173.1707 65 P 4.2722 0.0000 0.0000 65.3737 31.3279 177.5250 66 L 4.2292 7.8715 116.7741 56.4686 42.4628 177.6756 67 K 3.9771 7.6619 116.9229 57.6789 33.8402 174.3283 68 G 4.0163 7.5862 104.5653 44.1270 0.0000 171.9809 69 E 5.0148 8.9596 124.3486 54.9655 31.0144 176.3193 70 A 3.9420 9.0930 130.1627 51.1259 20.0415 176.2735 71 S 4.7350 8.9560 119.9315 58.0412 64.8528 173.2590 72 Y 5.1907 8.4458 120.2205 56.6518 41.4211 174.1998 73 Y 5.2756 9.2331 118.6804 56.6311 42.6156 174.7042 74 S 5.1374 9.2919 119.3835 57.5152 65.4475 173.0871 75 I 4.2706 8.3411 123.6838 59.4053 39.6240 174.7146 76 V 4.3900 8.2437 126.6536 61.7403 33.2527 175.1568 77 G 4.0407 8.6321 114.3040 44.3890 0.0000 172.5828 78 A 3.9475 8.7596 121.1249 55.3907 18.1328 179.0825 79 S 4.3789 8.1125 108.5442 58.4737 64.0171 173.1959 80 G 3.7372 7.0488 106.6257 44.3340 0.0000 172.1240 81 T 4.7009 8.2842 117.1278 62.9231 69.9012 175.1425 82 L 4.4374 9.1932 127.4720 53.0123 42.3792 175.5791 83 K 4.2681 8.5582 125.9769 56.8302 32.9558 176.1267 84 D 4.6475 8.4997 126.4514 55.5599 39.1974 174.2220 85 A 4.6539 8.1498 118.5059 53.0662 19.8266 177.6475 86 A 4.8732 8.4574 116.6869 49.9669 23.3016 175.0978 87 W 5.4893 7.7193 115.4345 55.4003 32.4796 173.6748 88 S 4.9502 8.8974 113.8994 57.5908 66.0643 172.8740 89 Y 4.8477 8.8904 124.6198 57.1055 37.3151 175.8670 90 E 4.3455 8.8488 124.3482 58.2838 30.4638 177.9466 91 S 4.6866 7.6479 113.3871 56.0589 63.4569 171.5647 92 P 4.7473 0.0000 0.0000 61.8491 32.7264 176.7720 93 K 4.2334 8.9578 121.9072 55.9738 33.5389 176.1051 94 E 4.6066 7.9728 122.7679 57.6524 29.3813 176.7648 95 G 4.0198 9.5945 115.3012 45.2191 0.0000 174.1278 96 L 4.5852 7.5708 118.5913 54.4582 42.2989 178.3740 97 E 3.9863 8.0788 120.8543 58.8887 29.6309 179.1038 98 A 3.9083 7.9214 121.2050 54.3707 18.7180 177.9270 99 I 3.1797 7.2033 107.5075 59.9961 37.7341 175.0545 100 A 4.4309 7.5802 124.9928 54.3185 18.1400 179.0006 101 G 4.0914 9.0158 112.2976 45.7009 0.0000 173.3132 102 Y 4.4569 8.2725 117.8091 58.0643 39.4880 174.6371 103 L 4.7097 9.0579 122.1684 53.1936 44.1873 175.6064 104 A 4.7041 7.4466 123.6173 49.7597 22.6415 174.8127 105 F 4.9351 7.7369 115.8505 55.1529 42.7600 174.9830 106 A 4.6123 9.0885 125.4313 51.5853 18.5982 176.9472 107 P 4.7390 0.0000 0.0000 64.3381 31.8792 177.4787 108 D 4.5621 8.1947 118.3939 56.0020 39.4111 176.9779 109 C 4.8047 7.8970 110.3003 58.0326 31.4090 173.1443 110 T 4.8852 7.7614 109.7044 60.1635 72.5277 172.1788 111 K 4.7352 9.0328 123.4745 54.6225 35.1595 174.9025 112 V 5.4006 7.9303 125.7400 59.8830 34.6061 174.5344 113 G 4.0090 8.3856 113.1644 45.9815 0.0000 171.5103 114 Q 3.5106 7.3995 121.7096 54.7888 29.9148 175.1652 115 Y 3.9318 8.6278 126.0341 57.8524 38.7946 175.1105 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 5 N 8.42 4.72 0.00 2.76 2.72 0.00 0.00 6.65 7.01 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 6 H 8.18 4.33 0.00 3.32 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.88 4.45 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.82 0.00 0.00 8 R 9.00 4.60 0.00 1.80 1.71 0.00 3.01 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 9 L 8.43 5.13 0.00 1.43 1.43 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.65 4.71 0.00 1.66 1.73 0.00 3.11 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 11 K 8.51 4.33 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 A 8.57 4.14 0.38 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 0.00 0.00 0.00 13 E 9.05 4.17 0.00 2.18 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 2.42 2.43 0.00 14 G 8.76 3.79 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 0.00 0.00 0.00 0.00 15 K 8.42 4.62 0.00 1.85 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.19 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.41 1.48 7.81 16 W 9.42 5.17 0.00 3.15 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 17 V 9.16 5.12 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 1.02 0.00 0.00 1.11 0.00 0.00 18 I 8.59 4.92 0.56 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 -0.01 0.00 0.00 19 R 8.89 4.94 0.00 1.99 1.91 0.00 2.77 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 20 T 8.17 4.63 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 1.13 0.00 0.00 21 D 8.75 4.62 0.00 2.78 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 22 S 8.07 4.57 0.00 3.93 3.91 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 23 A 7.53 4.49 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 24 V 8.18 4.32 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 0.85 0.00 0.00 0.93 0.00 0.00 25 L 8.33 4.41 0.00 1.50 1.69 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.20 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 0.00 0.00 0.00 0.00 27 E 8.92 5.47 0.00 1.82 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 2.19 2.25 0.00 28 T 9.27 4.76 4.41 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 1.22 0.00 0.00 29 L 8.60 4.97 0.00 1.69 1.71 0.93 1.08 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 30 N 7.97 5.06 0.00 2.70 2.82 0.00 0.00 6.88 7.50 0.00 0.00 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 A 7.98 4.25 0.63 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 0.00 0.00 32 I 8.56 4.65 1.69 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 0.99 0.83 0.75 0.00 0.00 33 E 9.22 4.72 0.00 1.73 1.69 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 2.18 2.10 0.00 34 L 8.92 5.07 0.00 1.66 1.80 0.60 0.72 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 35 T 8.82 4.83 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 1.25 0.00 0.00 36 E 8.83 4.49 0.00 2.02 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 2.33 2.33 0.00 37 G 8.04 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 38 S 8.60 4.69 0.00 3.98 3.93 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 39 R 7.56 4.16 0.00 2.03 1.97 0.00 3.22 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 40 D 8.42 4.57 0.00 2.74 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 41 P 0.00 4.69 0.00 2.09 2.08 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 42 V 8.99 4.54 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 1.11 0.00 0.00 1.16 0.00 0.00 43 I 8.40 4.55 1.91 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.19 0.00 0.00 44 Y 9.06 4.80 0.00 2.97 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 45 F 9.72 5.10 0.00 3.13 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 46 P 0.00 3.22 0.00 1.87 1.33 0.00 3.72 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 2.14 1.85 0.00 47 R 8.29 3.66 0.00 1.85 1.82 0.00 3.07 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 48 E 7.94 3.96 0.00 2.05 1.99 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 2.15 2.27 0.00 49 D 8.12 4.73 0.00 2.88 2.96 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 50 V 7.34 4.46 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 0.48 0.00 0.00 0.95 0.00 0.00 51 A 8.47 4.15 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 *53 V 7.92 3.88 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 0.80 0.00 0.00 0.96 0.00 0.00 *55 F 7.91 4.75 0.00 2.82 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 56 D 9.01 5.12 0.00 2.62 2.60 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 0.00 0.00 0.00 0.00 57 K 9.10 3.73 0.00 1.81 1.66 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 0.58 7.81 58 S 8.40 4.74 0.00 3.91 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 59 E 8.71 4.09 0.00 1.97 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 2.29 2.27 0.00 60 K 7.81 4.07 0.00 1.60 1.53 0.00 1.46 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.84 1.13 7.81 61 V 8.17 5.16 2.13 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 0.86 0.00 0.00 0.94 0.00 0.00 62 T 8.81 4.83 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 1.18 0.00 0.00 63 A 8.65 5.16 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 64 C 9.08 4.75 0.00 3.07 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 65 P 0.00 4.27 0.00 2.06 2.10 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 66 L 7.87 4.23 0.00 1.56 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.66 3.98 0.00 1.03 0.74 0.00 0.97 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.17 7.81 68 G 7.59 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 69 E 8.96 5.01 0.00 2.06 1.94 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 2.28 2.36 0.00 70 A 9.09 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.96 4.74 0.00 3.77 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 72 Y 8.45 5.19 0.00 3.04 2.89 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 73 Y 9.23 5.28 0.00 3.09 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 74 S 9.29 5.14 0.00 3.80 3.78 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 75 I 8.34 4.27 1.68 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.69 0.49 0.00 0.00 76 V 8.24 4.39 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 0.76 0.00 0.00 0.92 0.00 0.00 77 G 8.63 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 78 A 8.76 3.95 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 79 S 8.11 4.38 0.00 3.86 3.91 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 80 G 7.05 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 0.00 0.00 0.00 81 T 8.28 4.70 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 82 L 9.19 4.44 0.00 1.54 1.65 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.56 4.27 0.00 1.75 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.54 7.81 84 D 8.50 4.65 0.00 2.89 2.73 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 85 A 8.15 4.65 1.41 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 0.00 0.00 86 A 8.46 4.87 0.92 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 87 W 7.72 5.49 0.00 2.62 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 0.00 0.00 0.00 0.00 88 S 8.90 4.95 0.00 3.88 3.79 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 0.00 89 Y 8.89 4.85 0.00 3.04 2.96 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 90 E 8.85 4.35 0.00 2.03 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 2.41 2.42 0.00 91 S 7.65 4.69 0.00 3.85 3.78 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 92 P 0.00 4.75 0.00 1.94 1.92 0.00 3.70 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 2.09 2.36 0.00 93 K 8.96 4.23 0.00 1.81 1.69 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 94 E 7.97 4.61 0.00 1.95 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 2.39 2.15 0.00 95 G 9.59 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 96 L 7.57 4.59 0.00 1.72 1.43 0.77 0.69 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 97 E 8.08 3.99 0.00 2.03 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 2.38 2.35 0.00 98 A 7.92 3.91 1.11 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 99 I 7.20 3.18 1.37 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.35 0.00 0.00 100 A 7.58 4.43 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 0.00 101 G 9.02 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 0.00 0.00 0.00 102 Y 8.27 4.46 0.00 3.20 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 0.00 103 L 9.06 4.71 0.00 1.37 0.82 0.45 0.29 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 0.00 104 A 7.45 4.70 -0.41 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 0.00 0.00 105 F 7.74 4.94 0.00 2.70 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 0.00 106 A 9.09 4.61 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.74 0.00 2.28 2.31 0.00 3.58 0.00 0.00 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 108 D 8.19 4.56 0.00 2.85 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 0.00 109 C 7.90 4.80 0.00 3.10 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 0.00 110 T 7.76 4.89 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 1.26 0.00 0.00 111 K 9.03 4.74 0.00 1.79 1.63 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 112 V 7.93 5.40 2.27 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 1.60 0.00 0.00 1.07 0.00 0.00 113 G 8.39 4.01 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 0.00 114 Q 7.40 3.51 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.03 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 115 Y 8.63 3.93 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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.