NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8812 8.2516 120.4288 55.5909 33.5767 174.1556 2 K 4.6014 8.6954 125.2309 54.2876 36.3441 173.0804 3 K 5.1929 8.9029 124.1598 54.5302 35.2043 174.9065 4 L 4.7443 9.1141 126.4968 53.5462 44.7087 174.9351 5 Q 5.3978 8.8117 124.9500 54.2423 32.4594 174.6566 6 I 5.1147 8.9540 122.5899 59.5472 41.1624 174.1115 7 A 5.2608 9.0683 129.0502 50.5185 21.0226 175.8826 8 V 4.8134 9.4501 122.6946 60.9014 34.8468 174.3460 9 G 4.3281 9.1187 115.1687 44.6665 0.0000 173.0297 10 I 4.2590 8.8913 127.6637 59.7140 38.6087 174.4097 11 I 4.5956 8.1162 128.6627 60.2633 38.3735 174.7932 12 R 5.5773 8.9707 128.4477 54.7193 32.2199 175.5158 13 N 5.0259 9.2817 124.4280 51.4640 39.4564 175.2071 14 E 3.9450 8.6013 117.7859 58.8977 29.6767 176.9380 15 N 4.8293 8.2170 114.7266 52.7980 39.1334 173.8805 16 N 4.2588 7.7876 114.6326 54.9919 38.2382 172.9463 17 E 5.3739 8.6756 114.7955 54.3512 32.8987 175.7103 18 I 5.3186 8.8867 116.1414 59.1899 40.9984 174.3613 19 F 4.3303 8.6832 127.7609 57.3262 39.5838 174.7363 20 I 4.7071 7.8884 119.9215 59.1474 41.0204 174.5950 21 T 4.5048 8.4741 114.2220 60.1539 71.2872 174.3281 22 R 4.2941 8.0305 123.2909 55.4625 31.6129 175.4949 *31 N 4.5020 8.1881 115.1829 52.8604 39.7588 175.4935 32 K 4.1674 7.7929 116.2463 56.2758 33.2846 177.0236 33 L 4.2997 8.1941 121.9036 54.1257 43.2978 175.7061 34 E 4.6494 8.3981 120.1403 55.2195 34.5617 174.2371 35 F 5.2784 8.5629 119.9353 55.6313 40.9339 174.2930 36 P 4.4709 0.0000 0.0000 62.4920 32.6783 175.6720 37 G 4.1400 8.1470 108.6905 46.9639 0.0000 170.6594 38 G 4.2093 7.6345 105.4127 45.8417 0.0000 172.7195 39 K 4.6617 8.7631 121.3731 56.6133 32.9071 176.5676 40 I 4.2236 8.6145 128.8512 60.4937 37.7898 176.1069 41 E 4.2496 9.4535 128.0314 55.4184 30.2657 176.0952 42 M 4.2116 8.3097 118.1416 56.7167 31.4824 176.7949 43 G 3.8618 8.9568 110.7465 45.4793 0.0000 172.1152 44 E 4.6949 7.6489 119.8334 54.2491 31.4623 176.4333 45 T 4.2325 8.4081 116.4287 60.4056 71.4847 174.1618 46 P 3.8228 0.0000 0.0000 65.6933 31.0700 178.9028 47 E 3.2875 7.8049 116.7127 59.3552 29.4206 179.2335 48 Q 3.8874 7.9544 117.8326 58.7550 28.6455 178.7809 49 A 3.9956 8.0497 122.3061 55.0995 18.4163 180.1219 50 V 3.4313 7.3131 117.5737 64.5745 31.3481 178.9289 51 V 3.2129 7.0908 118.6928 65.6628 31.3192 178.0180 52 R 4.0543 7.8563 119.8844 58.9388 29.4764 178.1974 53 E 3.8749 8.3671 118.7550 59.5750 29.4769 179.4697 54 L 3.9582 7.8042 118.8073 57.5289 41.6100 179.5573 55 Q 4.3357 7.9674 119.6075 58.3893 28.3946 178.5770 56 E 4.0126 8.1465 118.8214 59.2674 29.6208 178.5876 57 E 4.1543 8.4444 118.3840 57.5199 29.9238 178.0971 58 V 4.5587 6.9143 108.7130 59.0480 33.3429 176.5755 59 G 3.9009 7.8095 106.6347 46.0434 0.0000 173.4012 60 I 4.7760 7.3783 111.1805 58.8496 40.8057 174.2370 61 T 4.6292 8.6398 118.5697 61.0554 70.2817 172.0804 62 P 4.7336 0.0000 0.0000 63.3953 31.3704 175.9433 63 Q 4.6468 9.6253 122.9577 57.0957 31.2812 175.4173 64 H 5.0837 8.4084 120.1388 54.4004 32.1227 172.4908 65 F 5.7059 8.1822 119.6508 56.0759 40.8753 173.4661 66 S 5.0334 9.2917 113.5418 56.6071 66.8481 172.9473 67 L 3.6862 8.8395 124.0825 55.5545 41.6485 175.9110 68 F 4.7127 9.3341 129.1980 59.8814 40.8226 175.3077 69 E 4.6015 7.7814 116.6822 54.9198 33.1297 174.1007 70 K 4.8063 8.3301 125.4069 54.9934 34.9714 174.9787 71 L 4.6949 8.7905 127.7104 52.9275 44.4940 175.3968 72 E 5.0258 8.3291 121.6621 54.7282 32.3395 175.0048 73 Y 4.3615 8.7022 120.6485 56.1060 41.8609 174.1240 74 E 4.6230 8.6529 123.7372 54.7485 31.3863 175.3628 75 F 5.2903 8.6233 123.3568 54.2159 42.4443 173.3080 76 P 4.4807 0.0000 0.0000 64.3397 31.2252 175.8546 77 D 4.5418 9.3976 120.2944 54.5335 40.0872 172.4050 78 R 5.0568 8.1150 115.8062 55.2899 35.1869 173.3086 79 H 5.1232 9.2818 123.0029 54.3694 32.8721 172.1638 80 I 5.6692 8.2269 126.1809 59.1076 40.2070 174.6626 81 T 5.0313 8.5169 121.8015 61.7370 72.3986 172.5220 82 L 5.0080 9.0281 126.5877 52.8628 44.3094 175.3916 83 W 4.7338 9.3933 124.9566 55.0985 31.2769 175.0695 84 F 5.0823 9.1361 125.4354 55.7981 40.3565 175.0755 85 W 5.3029 9.3371 124.5949 54.8167 32.0729 174.8749 86 L 4.7468 9.3067 127.2990 54.1203 43.1024 175.3095 87 V 4.8208 9.0009 128.0850 61.8917 32.5400 175.5415 88 E 5.0176 9.3205 127.2028 56.5393 31.5233 176.4300 89 R 4.4866 8.1820 120.0062 54.5199 33.7985 173.5769 90 W 5.5351 7.7774 121.4490 55.8527 31.5984 172.6468 91 E 4.5869 9.4296 121.1237 55.7698 31.4404 175.5860 92 G 4.1306 9.5723 111.7211 44.3033 0.0000 171.4859 93 E 4.9389 8.3384 118.2997 53.5291 32.1226 173.8459 94 P 4.4184 0.0000 0.0000 62.8182 32.0380 175.4216 95 W 4.9779 8.6108 119.9786 55.1192 32.2312 175.0027 96 G 4.0037 8.5469 109.4200 43.9985 0.0000 174.4101 97 K 2.0000 6.4865 120.8306 58.1971 32.6411 177.0501 98 E 4.4372 8.0405 117.1503 55.8503 29.7982 176.8214 99 G 3.9519 8.1629 110.2868 45.1231 0.0000 174.9230 100 Q 4.3132 7.4488 118.1570 53.5847 27.6327 172.1857 101 P 4.4081 0.0000 0.0000 63.1298 32.3551 176.7292 102 G 3.5969 8.1452 112.2696 44.7658 0.0000 171.9019 103 E 4.6661 7.0490 114.5556 55.1487 33.2217 174.4672 104 W 5.1608 8.8640 121.3909 56.4041 30.3286 175.7068 105 M 4.9744 9.1729 124.1615 53.2249 35.2010 175.4610 106 S 4.5523 8.8015 117.2055 58.1981 63.3500 174.3751 107 L 4.1358 8.2025 126.0105 57.0858 41.7094 177.2124 108 V 3.8038 7.5167 118.7669 64.3049 31.1395 176.1190 109 G 3.9635 8.9350 116.7160 44.8622 0.0000 172.6138 110 L 3.9907 7.3461 122.4152 55.1368 42.4582 175.4405 111 N 4.7616 8.7882 124.6619 51.8424 40.0436 175.3912 112 A 3.9728 8.6479 128.9138 55.3144 18.6833 178.3915 113 D 4.6246 8.3114 113.4358 56.1611 41.1746 176.5673 114 D 4.6327 8.5839 119.4995 54.5890 41.4511 175.9308 115 F 5.3344 7.8513 116.8756 53.5863 42.0932 173.5556 116 P 4.4893 0.0000 0.0000 61.7929 31.9979 175.7732 117 P 4.2722 0.0000 0.0000 66.5617 30.4536 178.3331 118 A 4.2111 8.1620 118.8427 55.1897 18.5063 178.5518 119 N 4.5104 8.4265 113.4795 54.4485 38.7267 176.5946 120 E 3.8500 8.1161 122.3815 59.2127 29.6324 177.0911 121 P 4.1967 0.0000 0.0000 65.7440 31.2040 178.5181 122 V 3.4133 7.4108 117.4508 65.9141 31.3071 177.8937 123 I 3.6699 7.8828 119.5258 64.1811 36.6219 178.2917 124 A 4.0044 7.7733 120.7123 55.1675 18.4957 179.4786 125 K 4.0391 8.0100 116.9962 59.6642 31.8606 179.4798 126 L 4.1704 7.9899 118.2396 57.7618 41.6248 179.0439 127 K 4.5312 7.6800 114.8576 56.1447 31.9767 176.8907 128 R 4.5529 7.8280 119.8421 54.5113 30.8269 176.2099 129 L 4.4023 8.2675 122.1524 54.9135 42.7158 176.6787 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 8.25 4.88 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 K 8.70 4.60 0.00 1.88 1.59 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.57 7.81 3 K 8.90 5.19 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 4 L 9.11 4.74 0.00 1.75 1.55 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.81 5.40 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.64 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 6 I 8.95 5.11 1.91 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 1.19 0.73 0.93 0.00 0.00 7 A 9.07 5.26 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 0.00 0.00 8 V 9.45 4.81 1.68 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 1.23 0.00 0.00 0.56 0.00 0.00 9 G 9.12 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 0.00 0.00 0.00 0.00 10 I 8.89 4.26 1.71 0.00 0.00 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 -0.01 0.45 0.60 0.00 0.00 11 I 8.12 4.60 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.84 0.05 0.00 0.00 12 R 8.97 5.58 0.00 1.92 1.96 0.00 3.54 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 13 N 9.28 5.03 0.00 2.79 2.54 0.00 0.00 6.23 7.27 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 14 E 8.60 3.95 0.00 1.88 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 2.27 2.31 0.00 15 N 8.22 4.83 0.00 2.72 2.81 0.00 0.00 6.93 8.00 0.00 0.00 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 7.79 4.26 0.00 2.95 2.87 0.00 0.00 7.09 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 17 E 8.68 5.37 0.00 2.33 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 0.00 2.39 2.49 0.00 18 I 8.89 5.32 2.11 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.05 1.06 0.00 0.00 19 F 8.68 4.33 0.00 1.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.89 4.71 1.65 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.97 0.00 0.00 21 T 8.47 4.50 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 1.04 0.00 0.00 22 R 8.03 4.29 0.00 1.61 1.75 0.00 3.26 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 *31 N 8.19 4.50 0.00 2.71 2.78 0.00 0.00 6.94 7.61 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 32 K 7.79 4.17 0.00 1.63 1.62 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.35 7.81 33 L 8.19 4.30 0.00 0.27 0.40 0.56 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.40 4.65 0.00 1.75 1.75 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 2.22 2.17 0.00 35 F 8.56 5.28 0.00 3.15 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 36 P 0.00 4.47 0.00 2.12 2.23 0.00 4.22 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 2.28 2.09 0.00 37 G 8.15 4.14 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 0.00 38 G 7.63 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.76 4.66 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 40 I 8.61 4.22 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.83 0.00 0.00 41 E 9.45 4.25 0.00 2.07 1.87 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 2.30 2.37 0.00 42 M 8.31 4.21 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 43 G 8.96 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 44 E 7.65 4.69 0.00 1.86 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 2.13 2.14 0.00 45 T 8.41 4.23 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 1.17 0.00 0.00 46 P 0.00 3.82 0.00 1.83 0.73 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.18 0.00 47 E 7.80 3.29 0.00 1.94 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 2.30 2.11 0.00 48 Q 7.95 3.89 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 49 A 8.05 4.00 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 50 V 7.31 3.43 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 51 V 7.09 3.21 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 0.94 0.00 0.00 0.67 0.00 0.00 52 R 7.86 4.05 0.00 1.83 1.81 0.00 3.16 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 53 E 8.37 3.87 0.00 1.96 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 2.38 2.46 0.00 54 L 7.80 3.96 0.00 1.71 1.54 0.85 0.71 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 55 Q 7.97 4.34 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 56 E 8.15 4.01 0.00 1.86 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 2.30 2.62 0.00 57 E 8.44 4.15 0.00 1.90 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 2.42 2.42 0.00 58 V 6.91 4.56 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 0.71 0.00 0.00 0.76 0.00 0.00 59 G 7.81 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 0.00 0.00 0.00 60 I 7.38 4.78 1.94 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.72 0.00 0.00 61 T 8.64 4.63 4.31 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 1.24 0.00 0.00 62 P 0.00 4.73 0.00 1.35 1.72 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 63 Q 9.63 4.65 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 64 H 8.41 5.08 0.00 3.27 3.27 0.00 5.87 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 65 F 8.18 5.71 0.00 3.30 2.99 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 66 S 9.29 5.03 0.00 4.02 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 67 L 8.84 3.69 0.00 1.23 1.51 0.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.33 4.71 0.00 2.97 3.21 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 0.00 0.00 0.00 0.00 69 E 7.78 4.60 0.00 1.82 1.63 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 2.00 2.30 0.00 70 K 8.33 4.81 0.00 1.39 1.34 0.00 0.91 0.00 0.00 1.24 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.44 7.81 71 L 8.79 4.69 0.00 1.81 1.37 1.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.33 5.03 0.00 1.62 1.72 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 2.02 2.12 0.00 73 Y 8.70 4.36 0.00 2.37 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 0.00 0.00 0.00 74 E 8.65 4.62 0.00 1.77 1.87 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 2.20 2.38 0.00 75 F 8.62 5.29 0.00 3.08 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 76 P 0.00 4.48 0.00 2.22 2.13 0.00 4.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 77 D 9.40 4.54 0.00 2.94 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 78 R 8.11 5.06 0.00 1.92 1.87 0.00 3.34 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 79 H 9.28 5.12 0.00 3.23 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.23 5.67 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 0.95 0.00 0.00 81 T 8.52 5.03 4.42 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 0.65 0.00 0.00 82 L 9.03 5.01 0.00 1.68 1.27 1.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 W 9.39 4.73 0.00 3.31 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 84 F 9.14 5.08 0.00 3.16 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 85 W 9.34 5.30 0.00 3.31 3.34 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 86 L 9.31 4.75 0.00 1.58 1.67 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.00 4.82 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 1.16 0.00 0.00 0.93 0.00 0.00 88 E 9.32 5.02 0.00 2.11 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 0.00 2.40 2.38 0.00 89 R 8.18 4.49 0.00 1.89 1.80 0.00 3.02 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 90 W 7.78 5.54 0.00 3.41 3.23 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 0.00 91 E 9.43 4.59 0.00 2.34 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 2.26 2.27 0.00 92 G 9.57 4.13 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 0.00 0.00 0.00 93 E 8.34 4.94 0.00 2.04 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 2.29 2.55 0.00 94 P 0.00 4.42 0.00 0.71 0.49 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.40 0.00 95 W 8.61 4.98 0.00 3.54 3.12 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 96 G 8.55 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 97 K 6.49 2.00 0.00 0.79 1.36 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 1.13 7.81 98 E 8.04 4.44 0.00 1.88 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 0.00 2.20 2.43 0.00 99 G 8.16 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 0.00 0.00 0.00 100 Q 7.45 4.31 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 101 P 0.00 4.41 0.00 2.07 2.10 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 102 G 8.15 3.60 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 0.00 103 E 7.05 4.67 0.00 2.02 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 1.96 2.10 0.00 104 W 8.86 5.16 0.00 3.32 3.33 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 0.00 105 M 9.17 4.97 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 106 S 8.80 4.55 0.00 3.90 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 0.00 107 L 8.20 4.14 0.00 1.95 1.76 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.52 3.80 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 0.76 0.00 0.00 0.97 0.00 0.00 109 G 8.93 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 0.00 110 L 7.35 3.99 0.00 1.87 1.75 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.79 4.76 0.00 2.88 2.91 0.00 0.00 7.07 8.45 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 0.00 112 A 8.65 3.97 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 0.00 113 D 8.31 4.62 0.00 2.79 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 0.00 114 D 8.58 4.63 0.00 3.08 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 5.33 0.00 2.96 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 0.00 116 P 0.00 4.49 0.00 2.25 2.00 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 117 P 0.00 4.27 0.00 2.31 2.38 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 118 A 8.16 4.21 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.43 4.51 0.00 2.93 2.90 0.00 0.00 6.52 7.78 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 0.00 120 E 8.12 3.85 0.00 2.05 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 2.34 0.00 121 P 0.00 4.20 0.00 2.16 2.21 0.00 3.75 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 1.92 1.95 0.00 122 V 7.41 3.41 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 0.84 0.00 0.00 -0.27 0.00 0.00 123 I 7.88 3.67 1.85 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.24 0.79 0.00 0.00 124 A 7.77 4.00 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 0.00 125 K 8.01 4.04 0.00 1.99 1.68 0.00 1.26 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.24 1.41 7.81 126 L 7.99 4.17 0.00 1.86 1.78 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.68 4.53 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.71 7.81 128 R 7.83 4.55 0.00 1.98 1.89 0.00 3.10 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 129 L 8.27 4.40 0.00 1.59 1.53 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.