NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.6380 8.1300 115.1707 56.5433 39.7987 176.8895 13 V 3.4204 8.0311 122.8019 66.7804 31.4892 175.0816 14 A 4.0081 7.8607 120.4394 55.1130 18.7634 178.7762 15 E 3.9671 8.2200 115.7153 59.7476 29.6169 179.2399 16 L 4.0244 8.2803 120.1660 57.3621 41.6200 178.8166 17 N 4.2920 8.6004 117.4188 56.7442 38.6236 175.9559 18 N 4.7175 7.8883 114.9160 54.3079 38.8516 175.3988 19 L 4.6649 7.7365 120.5554 54.0911 42.2875 176.0219 20 L 4.2733 7.4468 119.6490 56.5636 41.7178 177.9790 21 G 3.9750 9.2929 112.3641 45.2726 0.0000 173.3520 22 R 4.6086 8.0589 119.2457 54.5649 32.6811 175.1777 23 E 4.7196 8.6040 122.5143 56.3235 30.6027 175.9495 24 V 4.7735 9.1053 119.2084 59.7898 37.0301 173.7422 25 Q 5.0988 8.9320 122.0873 54.4108 32.2675 174.1976 26 V 4.7669 9.1240 125.6244 61.1812 34.6776 174.0698 27 V 4.5257 8.5603 128.6116 61.7432 33.1196 174.7817 28 L 5.3775 8.7264 128.0222 53.1271 44.0707 177.6271 29 S 4.4605 9.0941 115.6602 59.6220 63.2581 174.4413 30 N 4.6912 8.2475 117.9881 52.8296 37.3636 175.9099 31 G 3.9936 8.1239 108.1737 45.3768 0.0000 174.0599 32 E 4.3199 8.2272 119.3921 56.1896 31.4622 176.1995 33 V 4.7834 7.9297 120.4827 61.7355 34.9730 173.3529 34 Y 5.0073 8.9697 125.7978 55.9940 40.9319 174.6417 35 K 4.9937 8.7074 125.0730 54.9221 35.2839 175.2730 36 G 4.3172 8.4496 113.0072 45.7132 0.0000 171.9359 37 V 4.3818 8.1148 120.4704 62.1495 32.8338 175.1235 38 L 4.2268 9.2464 131.1498 55.9766 42.2224 176.3208 39 H 4.7507 9.2186 127.0460 57.6959 31.3829 174.7877 40 A 4.7257 7.5637 117.1478 50.7927 22.5064 175.4440 41 V 4.9833 8.3348 119.6224 61.2411 35.0095 174.1265 42 D 5.0802 8.4661 125.4236 50.9607 42.1941 176.5251 43 N 4.2050 8.6657 115.7691 56.4929 38.3984 176.3720 44 Q 3.8349 7.9573 113.9547 55.7348 29.0350 175.9037 45 L 3.7852 7.9795 117.1650 55.5042 39.6174 174.3801 46 N 4.8690 8.6977 116.4236 53.5781 39.9500 174.3313 47 I 5.0604 8.7744 121.6685 59.5783 41.7264 174.4511 48 V 4.7013 8.9010 125.6082 61.0724 34.2646 174.3049 49 L 5.3081 8.5675 126.6722 52.8763 45.3082 175.0696 50 A 4.8822 8.7313 123.0965 50.5931 21.8390 176.1511 51 N 4.3897 8.3683 118.0420 54.3109 36.7658 173.7166 52 A 5.1433 8.0936 120.1129 51.0214 22.1681 177.7475 53 S 5.7551 9.3123 112.8478 56.3171 67.3388 172.6805 54 N 5.5106 8.2117 117.4952 49.8785 39.9553 175.4844 55 K 3.8376 8.4633 116.9843 59.1296 32.0955 178.1721 56 A 4.0834 7.9587 119.5308 52.4403 18.5537 178.1810 57 G 3.9245 8.2810 104.6034 45.0331 0.0000 174.0310 58 E 4.0604 8.2149 120.0740 56.1382 30.6222 176.0515 59 K 5.0247 8.0006 121.7445 54.6553 35.4442 175.6099 60 F 4.8908 9.1167 121.7598 55.7226 42.8569 175.3914 61 N 4.6144 9.1581 121.7507 56.6719 39.9917 174.6949 62 R 4.9871 7.7233 114.9785 54.6007 34.7202 175.0768 63 V 4.0034 8.0838 122.0497 61.1790 34.6937 174.1623 64 F 4.7500 8.8631 127.4177 56.6659 39.7837 175.0515 65 I 4.4627 8.6070 129.9370 60.1893 39.9226 175.8990 *67 Y 4.7547 8.4649 118.6900 58.0532 39.7359 177.4037 68 R 3.5945 7.0310 117.9937 58.4359 30.2550 176.6658 69 Y 4.3428 7.8203 113.1937 57.5216 38.5589 174.4675 70 I 4.3646 7.5441 122.5022 61.0262 37.3781 175.9135 71 V 4.1262 8.9882 128.6733 65.3400 32.1296 175.4988 72 H 4.9760 7.7187 113.2885 54.7184 31.7441 172.0112 73 I 5.0257 8.2763 119.6238 59.6910 39.8805 174.7432 74 D 5.1631 9.0811 126.7211 51.9936 44.3406 176.1780 75 S 4.5646 8.7410 116.4652 58.7086 63.6807 174.0243 76 T 4.5043 8.2931 110.0617 61.5591 70.5627 174.1452 77 E 4.3908 7.9458 121.2200 55.2380 30.7081 175.8965 78 R 4.2699 8.2047 122.0566 55.5158 31.1329 176.5370 79 R 4.1871 8.2247 122.0258 55.7044 30.8300 176.8380 80 I 3.7087 7.9535 121.1313 61.5800 37.7304 175.9503 81 D 4.5466 8.3268 123.3149 53.7045 42.6952 176.7974 *83 R 3.8238 8.3733 117.6878 56.0692 31.9614 177.9819 84 E 3.9473 8.5355 118.0443 59.0809 29.5035 178.3708 85 F 3.5274 8.2422 120.6134 61.2404 39.2871 176.9575 86 A 4.1049 8.0543 119.7098 55.0124 17.7919 179.2993 87 K 3.8568 8.1846 118.2151 59.9512 32.4790 179.1671 88 Q 4.0479 8.4417 118.2187 58.6605 28.6088 178.4665 89 A 3.9950 8.1666 122.4808 54.8013 18.2244 179.1567 90 E 3.9744 8.3684 118.1492 59.5721 29.4627 179.3157 91 K 3.9792 7.5096 116.2054 59.1791 32.0928 178.9174 92 I 3.8211 6.8585 118.2014 62.0759 38.5921 176.3315 93 F 4.8714 7.8876 117.6530 54.0665 38.7498 171.9276 94 P 4.6016 0.0000 0.0000 63.3746 32.1705 176.7323 95 G 3.5411 9.4748 113.0717 46.2514 0.0000 173.6680 *97 V 4.1825 7.4184 116.3555 62.4463 33.1999 174.9180 98 K 4.6159 9.0658 128.2412 54.8604 35.3299 174.0350 99 Y 4.9016 8.7889 128.9423 56.9103 40.7805 173.8769 100 I 4.1282 8.0239 127.9470 59.2927 38.5184 176.0799 101 E 3.6663 8.5625 129.1952 58.8249 29.8598 177.4253 102 E 4.0174 8.1882 118.7482 58.9333 29.4836 177.1932 103 T 4.4581 7.1459 103.6385 60.0875 69.9725 172.6332 104 N 4.1410 7.7270 118.3043 54.6395 37.9554 173.5762 105 V 4.6128 7.2375 114.6298 60.7371 35.3819 173.8987 106 V 4.9414 8.7204 125.6272 61.1651 34.1448 174.0820 107 L 5.1338 9.0458 128.0958 53.2118 43.8278 175.4916 108 I 4.4100 8.5212 124.1047 60.2768 39.8253 176.1556 109 G 4.1710 8.6030 118.3913 45.9171 0.0000 172.3311 110 D 4.6946 8.6279 118.1791 53.4421 40.2770 176.8994 111 K 4.5078 7.8690 117.3284 55.9249 33.6333 175.5444 112 V 4.6763 7.5582 119.0756 60.9787 34.9106 174.2421 113 R 4.9590 8.9093 126.6939 54.5734 33.7599 173.6302 114 V 4.8356 9.1012 126.3576 61.1978 34.4921 174.6835 115 S 5.0933 8.7242 122.8839 56.0329 66.1999 174.4882 116 E 4.2326 8.9077 115.9017 57.8313 29.2637 177.1695 117 I 4.2872 9.0717 119.5541 60.7955 38.4454 175.5744 118 G 3.4505 6.6222 108.4933 43.9541 0.0000 171.3246 119 V 4.4402 7.2334 119.6077 61.0655 32.9043 174.6552 120 E 4.5111 9.7090 127.6297 55.1230 31.3416 174.7487 121 G 4.3513 7.9533 107.5494 43.6510 0.0000 172.9867 122 V 4.3229 8.0728 118.4330 61.5505 34.9258 173.6201 123 G 3.7702 8.6543 108.8531 43.7610 0.0000 172.9205 124 P 4.3272 0.0000 0.0000 65.1502 31.0680 179.3641 125 V 3.6049 7.7549 116.8473 65.7916 31.4932 177.6176 126 A 3.9888 7.9361 120.0311 55.2912 18.3287 179.2277 127 E 3.9264 8.3035 116.9453 59.6633 29.5715 179.6003 128 R 4.0062 8.3113 118.4534 59.4047 30.0839 178.3450 129 A 4.3275 8.7329 121.0426 55.2569 18.4414 179.6458 130 K 3.9840 8.4548 117.1909 59.7466 32.1311 179.4573 131 R 4.0405 8.1207 118.7166 59.3055 29.7578 178.3878 132 L 4.0714 7.9019 119.2513 58.0912 42.5129 178.1895 133 F 4.3732 9.0306 121.0720 61.7788 39.3666 176.9738 134 E 4.2388 9.1890 118.3454 59.5084 29.3777 179.0009 135 E 4.0348 8.4356 119.4612 59.3157 29.4269 178.9355 136 F 4.0692 8.2357 117.1546 60.2058 39.0122 177.3308 137 L 4.2634 7.9015 117.5163 57.3521 41.6772 179.0231 138 K 4.1784 8.0652 117.8457 58.9778 32.0077 177.7774 139 R 4.1970 7.4041 121.3659 56.4257 30.1154 176.2310 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 12 F 8.13 5.64 0.00 3.19 3.40 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 13 V 8.03 3.42 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 1.10 0.00 0.00 0.88 0.00 0.00 14 A 7.86 4.01 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 15 E 8.22 3.97 0.00 2.21 2.26 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 2.70 2.45 0.00 16 L 8.28 4.02 0.00 1.82 1.82 1.14 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.60 4.29 0.00 3.02 2.91 0.00 0.00 7.21 6.81 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 18 N 7.89 4.72 0.00 2.99 2.86 0.00 0.00 6.89 7.19 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 19 L 7.74 4.66 0.00 1.82 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.45 4.27 0.00 1.62 1.63 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.29 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 22 R 8.06 4.61 0.00 1.82 1.87 0.00 3.32 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 23 E 8.60 4.72 0.00 2.00 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 2.31 2.36 0.00 24 V 9.11 4.77 2.09 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 0.66 0.00 0.00 1.02 0.00 0.00 25 Q 8.93 5.10 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 26 V 9.12 4.77 2.18 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 0.95 0.00 0.00 0.98 0.00 0.00 27 V 8.56 4.53 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 0.94 0.00 0.00 0.87 0.00 0.00 28 L 8.73 5.38 0.00 1.95 1.67 1.03 0.50 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 29 S 9.09 4.46 0.00 4.05 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 30 N 8.25 4.69 0.00 2.86 2.96 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.12 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 32 E 8.23 4.32 0.00 2.22 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 2.35 2.31 0.00 33 V 7.93 4.78 2.01 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 8.97 5.01 0.00 2.98 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 35 K 8.71 4.99 0.00 1.79 1.64 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.50 7.81 36 G 8.45 4.32 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 0.00 37 V 8.11 4.38 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 1.01 0.00 0.00 0.95 0.00 0.00 38 L 9.25 4.23 0.00 1.79 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.22 4.75 0.00 3.10 3.34 0.00 6.03 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.56 4.73 1.23 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 0.00 0.00 41 V 8.33 4.98 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 0.93 0.00 0.00 0.97 0.00 0.00 42 D 8.47 5.08 0.00 2.85 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 43 N 8.67 4.21 0.00 2.68 2.86 0.00 0.00 6.88 7.69 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 44 Q 7.96 3.83 0.00 2.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 45 L 7.98 3.79 0.00 1.69 1.87 0.93 0.82 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 46 N 8.70 4.87 0.00 3.02 2.85 0.00 0.00 6.80 6.61 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 47 I 8.77 5.06 1.91 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 1.38 1.06 0.93 0.00 0.00 48 V 8.90 4.70 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 0.60 0.00 0.00 1.05 0.00 0.00 49 L 8.57 5.31 0.00 1.55 1.51 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.73 4.88 1.13 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 51 N 8.37 4.39 0.00 2.83 2.86 0.00 0.00 6.88 7.28 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 52 A 8.09 5.14 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 53 S 9.31 5.76 0.00 3.92 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 54 N 8.21 5.51 0.00 2.33 1.68 0.00 0.00 6.75 7.20 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 55 K 8.46 3.84 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.96 4.08 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 G 8.28 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 58 E 8.21 4.06 0.00 2.15 1.48 0.00 0.00 0.00 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 2.26 0.00 59 K 8.00 5.02 0.00 1.44 1.59 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.47 7.81 60 F 9.12 4.89 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.16 4.61 0.00 2.80 2.86 0.00 0.00 6.98 7.65 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 62 R 7.72 4.99 0.00 1.59 1.04 0.00 3.06 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 63 V 8.08 4.00 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 0.33 0.00 0.00 0.70 0.00 0.00 64 F 8.86 4.75 0.00 2.87 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 65 I 8.61 4.46 1.96 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 1.09 0.81 0.94 0.00 0.00 *67 Y 8.46 4.75 0.00 3.31 3.40 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 68 R 7.03 3.59 0.00 1.34 1.36 0.00 2.92 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.00 69 Y 7.82 4.34 0.00 3.09 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 70 I 7.54 4.36 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 1.02 0.00 0.00 71 V 8.99 4.13 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 0.86 0.00 0.00 0.98 0.00 0.00 72 H 7.72 4.98 0.00 3.19 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.28 5.03 1.77 0.00 0.00 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 1.42 1.04 0.93 0.00 0.00 74 D 9.08 5.16 0.00 2.54 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 75 S 8.74 4.56 0.00 3.98 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 76 T 8.29 4.50 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 1.24 0.00 0.00 77 E 7.95 4.39 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 2.30 2.31 0.00 78 R 8.20 4.27 0.00 1.78 1.83 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 79 R 8.22 4.19 0.00 1.84 1.85 0.00 3.62 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 80 I 7.95 3.71 1.49 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.28 0.38 0.00 0.00 81 D 8.33 4.55 0.00 2.72 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 *83 R 8.37 3.82 0.00 1.89 1.74 0.00 3.01 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 84 E 8.54 3.95 0.00 2.18 2.30 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 2.50 2.77 0.00 85 F 8.24 3.53 0.00 2.52 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 86 A 8.05 4.10 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.18 3.86 0.00 1.82 1.99 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 88 Q 8.44 4.05 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 89 A 8.17 3.99 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 90 E 8.37 3.97 0.00 2.21 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 0.00 2.32 2.41 0.00 91 K 7.51 3.98 0.00 1.84 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.64 7.81 92 I 6.86 3.82 1.29 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.38 -0.09 0.00 0.00 93 F 7.89 4.87 0.00 2.98 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 94 P 0.00 4.60 0.00 2.06 2.03 0.00 3.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 95 G 9.47 3.54 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 0.00 *97 V 7.42 4.18 2.36 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 0.93 0.00 0.00 1.14 0.00 0.00 98 K 9.07 4.62 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 99 Y 8.79 4.90 0.00 3.16 2.88 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 0.00 100 I 8.02 4.13 1.64 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 1.00 1.02 0.78 0.00 0.00 101 E 8.56 3.67 0.00 1.96 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 2.35 2.50 0.00 102 E 8.19 4.02 0.00 1.90 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 2.26 2.30 0.00 103 T 7.15 4.46 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 1.17 0.00 0.00 104 N 7.73 4.14 0.00 2.92 2.94 0.00 0.00 6.90 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 0.00 105 V 7.24 4.61 1.98 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 0.79 0.00 0.00 0.91 0.00 0.00 106 V 8.72 4.94 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 1.19 0.00 0.00 1.26 0.00 0.00 107 L 9.05 5.13 0.00 1.60 1.54 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.52 4.41 1.70 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.32 0.00 0.00 109 G 8.60 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 0.00 0.00 0.00 0.00 110 D 8.63 4.69 0.00 2.77 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 0.00 111 K 7.87 4.51 0.00 1.68 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.56 4.68 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 1.07 0.00 0.00 0.84 0.00 0.00 113 R 8.91 4.96 0.00 1.85 1.65 0.00 3.05 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 114 V 9.10 4.84 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 0.66 0.00 0.00 1.03 0.00 0.00 115 S 8.72 5.09 0.00 3.87 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 0.00 116 E 8.91 4.23 0.00 2.10 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 0.00 2.28 2.35 0.00 117 I 9.07 4.29 1.86 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 1.23 0.53 0.86 0.00 0.00 118 G 6.62 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.23 4.44 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 0.84 0.00 0.00 0.88 0.00 0.00 120 E 9.71 4.51 0.00 1.96 1.78 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 2.18 2.17 0.00 121 G 7.95 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.07 4.32 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 0.85 0.00 0.00 0.92 0.00 0.00 123 G 8.65 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 0.00 0.00 0.00 124 P 0.00 4.33 0.00 2.22 2.15 0.00 3.61 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 2.13 2.15 0.00 125 V 7.75 3.60 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 0.37 0.00 0.00 0.84 0.00 0.00 126 A 7.94 3.99 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 0.00 127 E 8.30 3.93 0.00 2.05 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 0.00 2.57 2.49 0.00 128 R 8.31 4.01 0.00 2.20 2.49 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 129 A 8.73 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.45 3.98 0.00 2.06 2.11 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.59 7.81 131 R 8.12 4.04 0.00 2.19 2.15 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 132 L 7.90 4.07 0.00 2.06 2.06 0.16 1.00 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 0.00 133 F 9.03 4.37 0.00 3.53 3.31 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 0.00 134 E 9.19 4.24 0.00 2.28 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 0.00 2.45 2.57 0.00 135 E 8.44 4.03 0.00 2.40 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 2.28 2.32 0.00 136 F 8.24 4.07 0.00 3.09 3.04 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 0.00 137 L 7.90 4.26 0.00 1.86 1.82 1.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.07 4.18 0.00 1.76 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.71 7.81 139 R 7.40 4.20 0.00 1.94 1.78 0.00 2.87 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.