NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5771 8.3649 120.1941 53.9117 43.2395 175.7326 2 I 3.8177 7.7497 120.3165 59.0344 37.8586 171.5092 3 E 4.7988 9.7682 124.8200 54.4740 33.1270 174.4018 4 L 5.2036 8.5515 122.1989 53.3376 44.1794 175.6788 5 T 4.6611 9.0446 120.9027 61.8824 71.1154 173.1094 6 Q 5.3770 8.8344 125.4639 54.5213 31.0940 175.1265 7 T 4.9129 8.7417 112.3970 59.3231 72.7100 171.9367 8 P 4.8684 0.0000 0.0000 62.2059 32.6880 176.4890 9 V 3.9732 8.3202 118.6039 65.7475 32.3919 175.6701 10 S 5.2157 7.8311 112.0682 57.0084 66.0617 173.4317 11 L 4.8754 9.0532 122.7058 53.7306 45.7578 174.5495 12 S 5.4794 8.6668 118.9196 56.9507 65.5720 172.7601 13 A 4.8299 9.0136 122.2089 51.4344 23.2234 175.4188 14 S 5.0418 9.9724 116.4911 56.5260 65.8071 174.4850 15 V 4.0398 8.2734 121.4266 64.7234 31.7564 175.9142 16 G 4.0438 9.0339 115.3534 45.3042 0.0000 173.4688 17 E 4.3196 8.0539 118.9308 56.6954 30.8902 175.9158 18 T 4.9195 8.2535 118.0672 62.1480 70.4804 174.4651 19 V 4.5749 8.2410 117.7087 59.8368 36.2716 174.6389 20 T 4.9610 8.2929 117.7894 61.9278 72.0471 173.5002 21 I 4.6848 8.6317 125.7188 59.7811 41.2512 174.5799 22 T 5.3547 9.0310 121.8616 62.0138 72.2027 172.3045 23 C 5.5453 9.6425 124.5073 55.0207 45.7943 172.6930 24 R 5.4236 9.2200 125.0716 54.4654 31.5477 174.8632 25 A 5.2047 8.8712 125.3378 50.4949 20.8001 178.3153 26 S 4.4835 8.6459 115.8534 60.7950 63.7367 173.8758 27 E 4.6415 7.5607 114.1085 54.1794 32.5410 174.1844 28 N 4.3890 8.6091 118.3943 54.1344 39.4565 174.2641 29 I 4.6802 8.3766 117.5434 60.1505 39.4325 175.8076 30 Y 3.3710 7.4609 122.1914 60.4393 37.0151 171.7585 31 S 4.9434 8.3341 124.9978 59.6662 63.9122 173.8205 32 Y 4.6928 7.6787 121.0989 56.9255 36.4500 174.1421 33 L 5.1061 7.5058 122.4027 52.9965 45.7434 175.6164 34 A 5.3960 9.0463 127.4286 49.9991 22.6465 174.9381 35 W 5.5619 8.7438 118.2945 55.1773 33.3741 174.3862 36 Y 5.2685 9.4446 120.0047 56.3465 41.8532 174.1091 37 Q 4.6853 9.0286 123.4727 54.2575 32.3505 174.1256 38 Q 4.7955 8.9645 126.3275 54.2246 31.9734 174.6503 39 K 4.5566 8.6082 126.1008 55.4401 33.9973 176.5560 40 Q 4.0709 8.6905 123.5902 58.1433 29.1044 177.3109 41 G 3.9367 9.0761 112.5391 45.5189 0.0000 172.2633 42 K 4.6640 7.6672 117.7167 53.9822 35.5051 175.8669 43 S 4.4281 8.2517 115.6655 57.5475 63.4863 172.8013 44 P 4.8554 0.0000 0.0000 62.9170 32.0435 175.8826 45 Q 4.8114 9.2360 120.2754 54.1625 32.0943 174.2447 46 F 4.7391 9.1789 124.5547 58.8690 39.7335 173.5825 47 L 4.3334 8.5745 124.9275 55.7224 44.1806 176.6122 48 V 4.8621 6.9459 117.0489 61.3102 35.4733 173.0161 49 Y 5.1511 8.3830 123.4062 55.2760 42.2261 174.2310 50 N 4.3185 10.4730 112.7241 53.3834 36.4421 175.8188 51 A 4.3778 8.5246 126.8087 52.4658 18.4236 180.2675 52 K 4.6853 7.6915 109.2721 56.2620 34.2434 175.6975 53 T 4.3110 7.5751 118.3123 62.1277 69.7213 174.3767 54 L 4.4032 8.4551 126.9764 54.3818 42.8276 177.2717 55 G 3.8945 8.7080 110.5729 45.5089 0.0000 172.4463 56 E 4.3137 8.7094 121.2097 57.1655 30.0916 177.1181 57 G 3.9702 8.9394 113.7029 45.2763 0.0000 173.3940 58 V 3.8890 7.2528 119.8613 61.0717 32.5551 174.1123 59 P 4.5468 0.0000 0.0000 62.5465 31.8098 177.4014 60 S 4.3477 8.5623 114.3845 60.5156 63.2854 175.4084 61 R 4.0016 7.9515 117.8783 58.2841 30.2163 176.2742 62 F 5.0526 7.9594 119.0346 56.6926 40.2204 175.5399 63 S 4.6407 9.0173 116.5500 56.9425 66.4709 173.1574 64 G 4.6039 8.8828 109.1430 44.1139 0.0000 172.0691 65 S 4.7238 9.1931 115.4974 56.8926 67.1891 172.9529 66 G 4.0833 9.6582 105.9776 45.7495 0.0000 172.8761 67 S 4.5619 7.6576 111.3038 58.2005 66.9464 176.9356 68 G 3.6524 9.8144 115.8344 45.6204 0.0000 174.6244 69 T 4.7524 8.7724 114.3676 60.9488 71.7247 174.6029 70 Q 4.7711 7.3784 123.9317 54.4706 32.1612 173.7321 71 F 5.3731 9.2068 124.2961 55.8907 43.7715 173.9825 72 S 5.3187 9.4608 115.0387 56.7958 66.9914 172.2939 73 L 4.7335 8.6361 123.7004 52.9428 44.4308 174.8156 74 K 4.8015 8.7614 127.3760 54.5317 35.5332 174.6002 75 I 4.3341 8.2606 127.7261 59.3848 39.5092 174.0799 76 N 4.5260 8.7263 127.7731 53.0044 39.3541 174.9433 77 S 3.9842 8.0330 123.0399 57.5506 60.4439 171.7484 78 L 3.9899 8.1612 122.3156 55.0955 42.6343 177.0321 79 L 5.1116 8.6100 121.1753 52.0556 44.4910 175.8772 80 P 4.6042 0.0000 0.0000 66.0057 31.3061 178.4228 81 E 4.2758 8.2241 113.6227 58.0465 29.7274 177.1508 82 D 4.7327 8.0565 119.2086 55.8779 41.4597 177.1061 83 F 4.2879 7.8690 118.2404 56.5981 39.8716 176.4952 84 G 3.8466 7.3023 109.6701 45.9323 0.0000 170.9124 85 S 5.3387 7.9377 116.3968 57.0186 65.9427 173.1828 86 Y 5.2630 8.9110 120.6213 56.4870 41.5796 174.2619 87 Y 5.5096 9.5302 120.2222 56.4991 42.1721 172.4156 88 C 4.9615 9.0762 117.5670 54.1927 43.1311 172.3213 89 Q 4.8123 8.3274 120.0373 54.9225 32.6431 172.8712 90 H 4.9322 8.5393 126.8614 56.0032 30.2599 174.2870 91 H 4.9920 8.8158 121.4451 55.2760 29.2436 173.3372 92 Y 4.3576 8.2585 118.1650 56.3812 41.9464 175.0205 93 G 3.4922 7.1157 111.5142 44.7862 0.0000 171.8878 94 T 4.3830 7.9135 118.1748 60.9294 70.0929 172.9867 95 P 4.3711 0.0000 0.0000 61.6065 32.0694 174.5061 96 P 4.4300 0.0000 0.0000 62.6646 32.0375 175.3936 97 L 4.7075 8.0647 118.8248 53.2639 45.1030 175.3649 98 T 4.7019 7.9656 113.5945 60.5958 70.0800 172.7710 99 F 5.2585 8.6683 124.3144 55.3826 41.7356 175.7108 100 G 3.9377 9.1629 109.6496 46.1500 0.0000 174.6699 101 G 3.7954 8.8406 108.2247 46.0322 0.0000 175.1111 102 G 3.5856 8.2099 106.2617 45.7092 0.0000 173.0877 103 T 4.8105 8.3956 116.8740 61.4526 72.2099 173.0293 104 K 4.8055 8.9986 126.4763 54.9801 34.3843 175.1843 105 L 5.1202 9.1296 128.2658 53.6946 43.8068 174.9726 106 E 5.1905 9.1896 125.7121 54.2230 33.3872 175.1849 107 I 3.8267 7.9228 122.8746 60.4046 38.6755 175.4164 108 K 3.9769 8.7056 134.4099 57.0026 32.7553 177.6126 *109 R 4.1503 8.5047 124.4857 56.5321 30.0759 172.3102 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 D 8.36 4.58 0.00 2.67 2.79 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 2 I 7.75 3.82 1.89 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 1.52 0.23 0.87 0.00 0.00 3 E 9.77 4.80 0.00 2.04 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 2.21 2.28 0.00 4 L 8.55 5.20 0.00 1.55 1.60 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.04 4.66 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 1.25 0.00 0.00 6 Q 8.83 5.38 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 7 T 8.74 4.91 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 1.25 0.00 0.00 8 P 0.00 4.87 0.00 2.39 2.13 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 9 V 8.32 3.97 2.11 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 1.08 0.00 0.00 0.96 0.00 0.00 10 S 7.83 5.22 0.00 3.89 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 11 L 9.05 4.88 0.00 1.76 1.50 0.93 0.71 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 12 S 8.67 5.48 0.00 3.91 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 13 A 9.01 4.83 1.32 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 14 S 9.97 5.04 0.00 3.75 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 15 V 8.27 4.04 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 0.89 0.00 0.00 1.07 0.00 0.00 16 G 9.03 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 17 E 8.05 4.32 0.00 2.07 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 2.32 2.31 0.00 18 T 8.25 4.92 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 1.11 0.00 0.00 19 V 8.24 4.57 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 0.65 0.00 0.00 0.70 0.00 0.00 20 T 8.29 4.96 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 1.15 0.00 0.00 21 I 8.63 4.68 1.70 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 1.05 0.00 0.00 22 T 9.03 5.35 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 1.37 0.00 0.00 23 C 9.64 5.55 0.00 2.94 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 24 R 9.22 5.42 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 25 A 8.87 5.20 1.32 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 26 S 8.65 4.48 0.00 3.92 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 27 E 7.56 4.64 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 2.21 2.24 0.00 28 N 8.61 4.39 0.00 2.51 2.55 0.00 0.00 6.76 7.94 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 29 I 8.38 4.68 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.75 0.00 0.00 30 Y 7.46 3.37 0.00 3.17 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 0.00 0.00 0.00 0.00 31 S 8.33 4.94 0.00 3.55 3.76 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 32 Y 7.68 4.69 0.00 3.11 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 33 L 7.51 5.11 0.00 0.73 0.80 0.47 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.05 5.40 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 35 W 8.74 5.56 0.00 3.16 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 36 Y 9.44 5.27 0.00 3.21 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 37 Q 9.03 4.69 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.03 1.62 0.00 38 Q 8.96 4.80 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 39 K 8.61 4.56 0.00 1.78 1.74 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 40 Q 8.69 4.07 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 41 G 9.08 3.94 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 0.00 0.00 0.00 42 K 7.67 4.66 0.00 1.85 1.73 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.51 7.81 43 S 8.25 4.43 0.00 3.86 3.77 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 44 P 0.00 4.86 0.00 1.86 1.98 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 45 Q 9.24 4.81 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 46 F 9.18 4.74 0.00 3.06 3.07 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 47 L 8.57 4.33 0.00 1.64 1.37 0.83 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 V 6.95 4.86 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 1.16 0.00 0.00 0.83 0.00 0.00 49 Y 8.38 5.15 0.00 3.05 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 50 N 10.47 4.32 0.00 2.62 2.87 0.00 0.00 7.29 7.35 0.00 0.00 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 A 8.52 4.38 1.67 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 0.00 0.00 52 K 7.69 4.69 0.00 1.79 1.95 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 53 T 7.58 4.31 3.28 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 0.99 0.00 0.00 54 L 8.46 4.40 0.00 1.50 1.55 0.94 0.97 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 55 G 8.71 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 0.00 0.00 0.00 56 E 8.71 4.31 0.00 2.00 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 2.33 2.41 0.00 57 G 8.94 3.97 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 0.00 0.00 0.00 58 V 7.25 3.89 2.11 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 0.61 0.00 0.00 0.86 0.00 0.00 59 P 0.00 4.55 0.00 2.37 2.24 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.10 0.00 60 S 8.56 4.35 0.00 4.00 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 61 R 7.95 4.00 0.00 1.88 2.12 0.00 2.83 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.05 0.00 62 F 7.96 5.05 0.00 3.05 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 63 S 9.02 4.64 0.00 3.81 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 64 G 8.88 4.60 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 0.00 0.00 0.00 65 S 9.19 4.72 0.00 3.87 3.94 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 66 G 9.66 4.08 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 0.00 0.00 0.00 67 S 7.66 4.56 0.00 3.90 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 68 G 9.81 3.65 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 0.00 0.00 0.00 69 T 8.77 4.75 4.40 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 1.18 0.00 0.00 70 Q 7.38 4.77 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 71 F 9.21 5.37 0.00 3.31 3.13 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 0.00 0.00 0.00 0.00 72 S 9.46 5.32 0.00 3.82 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 73 L 8.64 4.73 0.00 0.27 0.35 0.50 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.76 4.80 0.00 1.71 1.47 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.40 7.81 75 I 8.26 4.33 1.49 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 0.59 0.63 0.22 0.00 0.00 76 N 8.73 4.53 0.00 2.57 2.59 0.00 0.00 7.28 7.26 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 77 S 8.03 3.98 0.00 3.95 3.83 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 78 L 8.16 3.99 0.00 1.63 1.39 0.75 -0.02 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 79 L 8.61 5.11 0.00 1.69 1.59 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.60 0.00 2.26 2.19 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 81 E 8.22 4.28 0.00 2.15 2.15 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 2.35 2.43 0.00 82 D 8.06 4.73 0.00 2.55 2.70 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 83 F 7.87 4.29 0.00 3.08 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 84 G 7.30 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.94 5.34 0.00 3.82 3.52 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 86 Y 8.91 5.26 0.00 3.02 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 87 Y 9.53 5.51 0.00 3.22 3.05 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 88 C 9.08 4.96 0.00 2.11 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 89 Q 8.33 4.81 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 90 H 8.54 4.93 0.00 3.10 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.82 4.99 0.00 3.16 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.26 4.36 0.00 2.17 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.12 3.49 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 0.00 94 T 7.91 4.38 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 1.15 0.00 0.00 95 P 0.00 4.37 0.00 1.98 1.92 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 96 P 0.00 4.43 0.00 2.17 2.04 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 97 L 8.06 4.71 0.00 1.44 1.55 0.84 0.72 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 98 T 7.97 4.70 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 1.25 0.00 0.00 99 F 8.67 5.26 0.00 2.93 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 0.00 100 G 9.16 3.94 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 0.00 0.00 0.00 101 G 8.84 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 0.00 0.00 0.00 102 G 8.21 3.59 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 0.00 103 T 8.40 4.81 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 1.28 0.00 0.00 104 K 9.00 4.81 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 105 L 9.13 5.12 0.00 1.85 1.88 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.19 5.19 0.00 1.98 1.81 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 2.28 2.29 0.00 107 I 7.92 3.83 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.34 0.61 0.00 0.00 108 K 8.71 3.98 0.00 1.91 1.70 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *109 R 8.50 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.