NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3346 8.0327 117.3761 63.7023 71.0961 175.5054 3 Q 3.7254 8.0481 121.7491 59.2753 28.8601 176.8287 4 H 4.3634 8.1940 116.9956 58.4277 29.1433 176.9871 5 L 3.9756 7.7698 122.0130 58.2961 42.0757 178.7892 6 T 3.9928 8.1525 115.9863 66.8182 68.4044 176.6492 7 I 3.7043 7.6669 120.9339 64.1626 37.0517 178.3779 8 A 3.0092 7.7893 121.5172 54.9157 18.1042 179.7311 9 Q 3.9103 8.2344 116.8417 59.4565 28.6639 179.1625 10 T 3.9076 8.3639 117.1457 66.6709 67.9441 176.0909 11 Y 4.3382 8.1425 121.3492 60.9925 38.9021 178.2109 12 L 4.0939 8.3963 119.7465 57.6046 41.6246 179.2494 13 A 4.0219 8.3926 120.8444 55.1690 18.0291 179.5691 14 A 3.8709 7.6284 118.5599 55.0812 18.5084 179.6502 15 W 3.8512 7.5243 115.7182 59.1445 29.1933 177.7625 16 N 4.9016 8.2746 114.3531 52.6146 38.5498 175.0125 17 E 4.0051 7.4001 122.4216 56.0288 30.0982 176.2145 18 E 4.0068 8.8578 127.6970 58.7963 30.4073 176.7572 19 D 4.5945 8.5061 119.4088 53.3937 42.4153 176.6849 20 N 4.3087 8.7017 124.9586 56.2058 38.7265 177.1929 21 E 3.9004 8.0813 120.0503 59.6415 29.5699 179.4708 22 R 3.9122 8.1535 117.4592 59.4190 29.9995 178.9643 23 R 3.8001 7.8369 117.9449 59.2618 30.0158 178.7997 24 R 3.7713 7.7903 117.6397 59.3641 30.0662 178.4335 25 H 4.0726 8.1099 117.8018 59.1481 29.8494 177.2726 26 L 4.0300 8.1709 121.0854 57.9205 41.4508 179.6775 27 V 3.7793 8.0819 118.6346 65.9309 31.1513 177.9831 28 G 3.7483 8.2373 104.8024 48.0538 0.0000 175.3971 29 Q 4.1420 7.9336 118.8376 58.7580 29.1770 178.1833 30 A 4.1603 8.6617 122.1202 53.8273 18.6404 177.8094 31 W 4.6276 8.2626 115.9463 55.8695 30.2266 176.2704 32 A 4.4780 8.8920 124.9420 51.4599 19.0279 178.0957 33 E 4.0915 8.8118 119.1666 59.3939 29.6663 177.0092 34 N 4.9264 7.8684 117.6070 52.0919 37.6390 173.6890 35 T 5.3764 7.8482 116.0695 59.0846 71.9425 171.9178 36 R 5.2827 8.5826 125.0521 54.9874 34.0684 172.8570 37 Y 5.4283 9.3167 126.8852 56.0386 42.6122 174.4904 38 V 4.9104 7.6398 123.8633 60.8189 35.2453 172.7855 39 D 4.8561 8.2484 122.7212 50.1295 42.2878 173.3019 40 P 4.3721 0.0000 0.0000 64.7218 31.3878 177.2018 41 L 4.4966 8.6830 116.7594 54.8079 42.8859 176.1174 *43 Q 4.6091 7.7710 116.0687 56.5468 29.8244 174.5198 44 G 4.3682 8.7452 105.3999 45.7236 0.0000 172.0432 45 E 5.1785 8.5936 118.2014 55.7398 32.7735 176.2300 46 G 4.1610 9.1659 106.7807 45.9207 0.0000 174.4159 47 Q 3.8707 8.6897 118.7853 58.9802 28.6081 179.3054 48 Q 3.9572 8.0625 118.3828 59.0161 28.6159 178.9794 49 G 3.6111 7.9130 104.6572 48.0473 0.0000 175.1730 50 I 3.5529 7.5092 120.9236 63.7394 37.3254 177.9698 51 A 3.7203 7.5968 121.3841 54.8299 18.0219 179.9380 52 A 3.6901 7.8265 116.3498 52.9168 18.0892 179.3619 *54 I 3.1792 7.6879 123.0105 62.5189 39.2430 177.7982 55 E 3.7765 7.8213 120.1628 59.1826 29.1976 178.7501 56 A 3.9552 8.2952 120.9004 55.0193 18.2309 179.3533 57 A 4.1245 7.9176 117.5801 55.6831 18.8098 179.6639 58 R 4.2244 8.3478 116.6186 59.5529 29.8800 179.3484 59 Q 4.0989 8.0537 117.1620 58.8110 28.7243 178.6140 60 K 4.1429 7.9085 118.8172 57.6868 33.6950 177.2955 61 F 4.7536 7.9153 116.9692 55.2396 39.1036 173.2141 62 P 4.6014 0.0000 0.0000 64.1205 32.1569 177.6354 63 G 3.9972 9.0398 110.3924 45.5357 0.0000 173.2145 64 Y 4.4052 7.7444 116.5028 58.1430 38.8492 175.3910 65 R 4.8329 8.7311 119.0704 54.6609 35.2432 174.1570 66 F 5.2367 9.3053 120.2914 55.9131 40.9046 175.3150 67 V 4.6025 8.8907 124.2419 60.5076 34.1930 174.6741 68 L 4.8079 8.8925 129.2314 55.4632 42.8153 175.7221 69 A 4.6530 8.8059 126.9906 51.2087 21.7707 177.8679 70 G 3.8387 8.7303 111.4053 45.1588 0.0000 172.0713 71 T 4.4988 8.1861 115.2787 60.9726 69.5645 173.3232 72 P 4.6957 0.0000 0.0000 63.1054 32.2264 175.3849 73 D 4.6555 9.1127 118.9300 53.1880 42.4110 173.8211 74 G 3.4249 7.6905 104.4558 48.0325 0.0000 170.9786 75 H 4.6419 8.4024 111.9491 55.9159 32.2548 174.9845 76 G 4.2204 8.6347 110.5687 47.4765 0.0000 173.7502 77 N 4.6123 8.5232 121.8305 52.5969 37.6953 173.8152 78 F 5.4058 8.3878 119.0570 56.6863 41.2967 174.9217 79 T 5.1797 8.9192 119.2814 61.7201 72.2424 172.8636 80 R 5.1629 9.0458 126.2184 54.6539 33.2714 174.2002 81 F 5.2675 8.0271 118.6384 56.2053 41.8541 172.8700 82 S 5.3220 8.8725 114.7658 56.7157 67.1130 172.9119 83 W 5.9031 8.0851 117.4515 55.5066 32.0959 173.6518 84 R 5.1718 9.7036 119.5965 54.3806 33.1973 174.8193 85 L 4.7924 9.4012 125.8310 54.3922 43.6369 175.1092 86 I 4.9688 8.8427 128.0151 59.4278 39.4973 175.9224 87 S 3.5974 9.2366 121.8201 56.9205 63.0035 172.9373 88 P 4.1607 0.0000 0.0000 65.6391 31.0411 177.1171 89 D 4.4818 7.6068 114.9617 53.4353 39.4656 177.1050 90 G 3.9073 8.5708 108.4502 45.6556 0.0000 173.5175 91 D 4.5052 8.0053 119.6959 53.4023 41.6288 175.3996 92 D 5.0077 8.5751 122.7974 54.0855 40.9707 176.0538 93 V 4.3881 8.3701 119.7360 61.0021 33.4318 175.4920 94 A 4.2358 7.4504 119.8063 52.8418 24.0465 174.7945 95 G 3.5900 7.5712 103.8939 46.0044 0.0000 172.5149 96 G 3.9908 5.7857 106.2078 44.8564 0.0000 171.5289 97 T 5.0631 8.5692 114.6946 61.9153 73.1970 173.4630 98 D 5.2135 8.7346 124.2031 52.3836 45.7189 174.6372 99 V 4.6876 8.4291 120.7520 61.1290 34.3461 174.3982 100 V 4.9813 9.0100 127.9890 61.1885 34.5757 174.1883 101 S 5.1024 9.0959 123.0276 56.6985 65.8978 172.9871 102 L 4.9926 8.1282 124.2862 53.0532 43.5736 176.4925 103 N 4.7027 8.9026 121.1591 51.8202 38.5879 175.9676 104 T 4.0141 8.3376 106.8242 63.3494 68.5373 174.3633 105 E 4.4796 8.1546 120.8350 56.2173 30.0017 176.8609 106 G 3.8812 8.1277 105.9704 45.7902 0.0000 174.3020 107 R 4.6329 7.8469 118.8624 53.9369 32.2254 175.5888 108 I 4.1982 8.2493 122.9635 61.7914 37.5811 176.1430 109 D 4.7489 9.0090 126.5728 53.4259 41.7710 175.5717 110 N 5.3188 7.6815 116.9893 52.7627 42.8321 173.0529 111 V 4.9329 9.0914 125.6079 61.1595 35.6142 174.0163 112 V 4.4436 8.7180 127.0901 61.0876 33.6567 174.5594 113 G 4.4005 8.4944 115.4113 44.6881 0.0000 171.9283 114 F 4.9655 9.0464 118.5631 55.5841 43.8472 173.6882 115 L 5.1168 8.5992 119.7671 53.4340 43.6329 175.8179 116 D 4.8450 9.3618 122.3587 52.3906 45.1367 176.4837 117 G 3.6904 8.5233 109.0759 45.7567 0.0000 173.6304 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 2 T 8.03 4.33 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 3 Q 8.05 3.73 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 4 H 8.19 4.36 0.00 3.25 3.37 0.00 5.67 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 5 L 7.77 3.98 0.00 1.78 1.81 0.93 0.87 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 6 T 8.15 3.99 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 1.20 0.00 0.00 7 I 7.67 3.70 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.90 0.00 0.00 8 A 7.79 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.23 3.91 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 10 T 8.36 3.91 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 1.28 0.00 0.00 11 Y 8.14 4.34 0.00 3.08 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 12 L 8.40 4.09 0.00 1.80 1.80 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.39 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 3.87 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 15 W 7.52 3.85 0.00 3.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.90 0.00 2.85 2.95 0.00 0.00 6.96 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 17 E 7.40 4.01 0.00 2.01 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 2.34 2.39 0.00 18 E 8.86 4.01 0.00 1.98 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 0.00 2.30 2.25 0.00 19 D 8.51 4.59 0.00 2.74 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 20 N 8.70 4.31 0.00 2.72 2.86 0.00 0.00 7.12 7.66 0.00 0.00 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 E 8.08 3.90 0.00 2.08 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 2.30 2.32 0.00 22 R 8.15 3.91 0.00 2.08 1.96 0.00 3.24 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 23 R 7.84 3.80 0.00 1.93 1.92 0.00 2.77 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.57 0.00 24 R 7.79 3.77 0.00 2.01 1.89 0.00 3.13 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 25 H 8.11 4.07 0.00 3.27 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.17 4.03 0.00 1.82 1.75 0.91 0.75 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 27 V 8.08 3.78 1.80 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 0.70 0.00 0.00 0.23 0.00 0.00 28 G 8.24 3.75 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 0.00 29 Q 7.93 4.14 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 30 A 8.66 4.16 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 31 W 8.26 4.63 0.00 3.60 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 32 A 8.89 4.48 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 33 E 8.81 4.09 0.00 2.07 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 2.42 2.36 0.00 34 N 7.87 4.93 0.00 2.71 2.82 0.00 0.00 6.57 7.54 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 35 T 7.85 5.38 4.63 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 1.54 0.00 0.00 36 R 8.58 5.28 0.00 2.04 1.96 0.00 3.28 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 37 Y 9.32 5.43 0.00 3.23 2.80 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 38 V 7.64 4.91 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 0.66 0.00 0.00 0.89 0.00 0.00 39 D 8.25 4.86 0.00 2.56 2.50 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 0.00 0.00 0.00 0.00 40 P 0.00 4.37 0.00 2.09 2.16 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 41 L 8.68 4.50 0.00 1.76 1.77 1.00 0.97 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 *43 Q 7.77 4.61 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 44 G 8.75 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 0.00 0.00 0.00 45 E 8.59 5.18 0.00 2.16 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 2.19 2.33 0.00 46 G 9.17 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 0.00 0.00 0.00 0.00 47 Q 8.69 3.87 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 48 Q 8.06 3.96 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 49 G 7.91 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 50 I 7.51 3.55 1.51 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 -0.02 0.00 0.00 51 A 7.60 3.72 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 52 A 7.83 3.69 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 *54 I 7.69 3.18 1.12 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.05 0.00 0.00 55 E 7.82 3.78 0.00 1.90 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 2.25 2.38 0.00 56 A 8.30 3.96 1.29 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 0.00 0.00 0.00 57 A 7.92 4.12 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 4.22 0.00 1.91 2.09 0.00 3.50 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 59 Q 8.05 4.10 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 60 K 7.91 4.14 0.00 2.04 1.74 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.70 7.81 61 F 7.92 4.75 0.00 3.00 2.63 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 62 P 0.00 4.60 0.00 2.24 2.12 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 63 G 9.04 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 64 Y 7.74 4.41 0.00 3.03 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 65 R 8.73 4.83 0.00 1.69 1.77 0.00 3.08 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 66 F 9.31 5.24 0.00 2.80 2.75 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 67 V 8.89 4.60 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 0.83 0.00 0.00 1.01 0.00 0.00 68 L 8.89 4.81 0.00 1.78 1.65 1.08 0.99 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 69 A 8.81 4.65 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 70 G 8.73 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 71 T 8.19 4.50 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 72 P 0.00 4.70 0.00 2.11 2.14 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 73 D 9.11 4.66 0.00 2.75 2.76 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 74 G 7.69 3.42 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 0.00 75 H 8.40 4.64 0.00 3.39 3.41 0.00 5.61 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 76 G 8.63 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 77 N 8.52 4.61 0.00 2.78 2.87 0.00 0.00 5.88 8.12 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 78 F 8.39 5.41 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 79 T 8.92 5.18 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 1.49 0.00 0.00 80 R 9.05 5.16 0.00 1.75 1.90 0.00 3.02 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 81 F 8.03 5.27 0.00 3.30 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 82 S 8.87 5.32 0.00 3.74 3.67 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 83 W 8.09 5.90 0.00 3.76 3.42 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 84 R 9.70 5.17 0.00 1.80 2.00 0.00 3.20 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 85 L 9.40 4.79 0.00 2.13 1.80 0.24 0.95 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 86 I 8.84 4.97 1.87 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 1.17 1.17 0.94 0.00 0.00 87 S 9.24 3.60 0.00 3.76 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 88 P 0.00 4.16 0.00 1.93 2.01 0.00 3.18 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 89 D 7.61 4.48 0.00 2.71 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 90 G 8.57 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 0.00 0.00 0.00 91 D 8.01 4.51 0.00 2.89 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 92 D 8.58 5.01 0.00 2.66 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 93 V 8.37 4.39 2.23 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 0.92 0.00 0.00 1.19 0.00 0.00 94 A 7.45 4.24 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 95 G 7.57 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 96 G 5.79 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 97 T 8.57 5.06 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 1.09 0.00 0.00 98 D 8.73 5.21 0.00 1.58 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 0.00 0.00 0.00 0.00 99 V 8.43 4.69 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 0.97 0.00 0.00 0.89 0.00 0.00 100 V 9.01 4.98 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 0.86 0.00 0.00 0.85 0.00 0.00 101 S 9.10 5.10 0.00 3.92 3.39 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 0.00 102 L 8.13 4.99 0.00 1.39 1.48 0.81 0.86 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 0.00 103 N 8.90 4.70 0.00 2.89 3.10 0.00 0.00 6.68 6.76 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 0.00 104 T 8.34 4.01 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 1.18 0.00 0.00 105 E 8.15 4.48 0.00 2.03 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 2.19 2.24 0.00 106 G 8.13 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 0.00 0.00 0.00 107 R 7.85 4.63 0.00 1.88 1.86 0.00 3.14 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 108 I 8.25 4.20 0.66 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.42 0.64 0.00 0.00 109 D 9.01 4.75 0.00 2.89 2.86 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 0.00 110 N 7.68 5.32 0.00 2.87 2.69 0.00 0.00 6.58 7.71 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 0.00 111 V 9.09 4.93 2.40 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 0.92 0.00 0.00 1.20 0.00 0.00 112 V 8.72 4.44 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 0.59 0.00 0.00 0.89 0.00 0.00 113 G 8.49 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 0.00 0.00 0.00 0.00 114 F 9.05 4.97 0.00 2.88 2.83 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 0.00 115 L 8.60 5.12 0.00 1.54 1.57 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 D 9.36 4.84 0.00 2.26 2.37 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 0.00 117 G 8.52 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.