NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3179 8.1849 120.6338 53.7799 43.1064 178.5681 8 P 4.3592 0.0000 0.0000 61.2729 31.8089 173.0191 9 P 4.2264 0.0000 0.0000 64.9217 31.3582 175.3451 10 G 3.7579 8.7428 112.0305 45.9278 0.0000 171.3948 11 W 5.0617 7.6096 117.5653 55.6244 30.9757 175.6490 12 E 4.9234 9.0438 121.6001 54.8112 33.0915 174.5186 13 K 4.2532 8.8866 125.8457 56.6864 33.0266 175.9471 14 A 4.5634 8.0830 124.3749 50.4642 23.2559 174.1622 15 M 5.0272 8.3122 117.9497 53.6697 35.4366 175.0408 16 S 4.5530 8.9433 120.8365 58.0946 63.3361 175.2015 17 R 3.9479 8.8163 124.0937 59.4462 29.7089 177.9668 18 S 4.2212 8.1628 112.2055 60.1344 62.7830 174.2621 19 S 4.3780 8.2191 113.0526 58.6583 63.0684 175.0770 20 G 3.9581 8.1822 105.4864 45.5910 0.0000 172.6482 21 R 4.6827 7.4389 117.3385 53.9683 32.4969 176.0047 22 V 4.1386 8.5813 123.7023 63.5731 32.3960 174.6134 23 Y 5.0306 8.5474 126.9609 55.5224 41.5179 173.7021 24 Y 5.2306 8.9967 115.6104 56.4117 41.8420 174.9597 25 F 5.4206 9.5096 124.1975 56.5149 43.4914 172.8970 26 N 4.4962 7.8170 124.7208 51.5563 39.8046 175.0374 27 H 4.2085 8.3008 122.7868 58.0688 29.2213 177.1349 28 I 3.7586 7.3628 120.7343 63.8329 37.3042 176.7374 29 T 4.0676 7.6646 108.3005 60.7267 69.2091 175.1698 30 N 3.4988 7.7842 118.5697 53.9220 37.1605 173.5985 31 A 4.4282 7.0965 120.4131 51.8148 20.1424 177.4637 32 S 5.7338 8.6384 113.1347 57.1680 66.1541 173.1582 33 Q 4.4983 8.8148 119.5171 54.7156 32.0446 175.6050 34 W 4.5850 8.4950 118.2117 59.0821 29.6449 177.6658 35 E 4.3832 8.1306 116.5079 55.1384 29.8135 176.2472 36 R 2.5100 8.5216 122.7161 55.2838 30.2423 174.4698 37 P 3.6631 0.0000 0.0000 62.4902 31.2226 175.7934 38 S 4.6845 7.9661 116.6350 57.9962 64.5854 176.1758 *51 E 4.1141 8.6554 125.6564 55.1849 30.3382 173.2068 52 P 4.6768 0.0000 0.0000 61.7884 32.9159 176.0513 53 A 4.2254 8.5872 122.5172 54.6133 18.6998 178.2223 54 R 5.1095 7.7718 111.9272 54.6123 34.1074 175.3030 55 V 4.3731 8.1202 114.1461 59.3771 36.5761 174.3061 56 R 4.8696 8.6751 121.4306 54.8961 33.1567 173.8098 57 C 5.3434 8.8449 122.1021 58.2856 32.9193 173.2988 58 S 5.5285 9.0546 118.4187 57.8437 65.6789 172.4798 59 H 5.8128 9.4086 116.0726 54.7955 32.0241 172.4313 60 L 4.6519 9.1806 121.0011 53.1400 44.6658 174.5920 61 L 4.9621 8.4567 127.7655 53.1884 45.1607 174.8822 62 V 4.6584 8.2465 125.7229 60.9499 33.4890 175.0985 63 K 4.6035 9.4132 128.5295 56.6277 33.1820 176.0409 64 H 5.0909 9.4337 118.2707 53.8574 31.7416 174.2511 65 S 4.3436 8.5102 112.7863 60.6633 62.8954 174.9989 66 Q 4.5439 8.0848 118.3864 55.5654 28.8034 175.7576 67 S 4.3032 8.0409 115.3634 58.2004 62.7228 173.8066 68 R 3.4844 8.1230 122.4447 59.1272 30.1896 176.4466 69 R 4.3651 7.4658 128.4345 54.1635 29.9165 175.7869 70 P 4.6414 0.0000 0.0000 61.3464 30.6787 176.5164 71 S 4.4650 7.7639 110.1512 57.5185 65.6790 172.4849 72 S 4.6440 8.7584 120.5122 56.6527 65.8694 175.0532 73 W 4.3507 8.6631 117.0929 59.1354 27.8623 177.5588 74 R 3.5650 6.6439 117.7369 58.1588 29.4661 176.7711 75 Q 4.3168 7.4719 116.5066 55.0717 32.7517 174.2072 76 E 3.8997 8.9272 127.0614 58.1286 30.0939 176.0519 77 K 4.4963 7.7862 118.9487 54.3515 33.9625 174.8555 78 I 4.4492 9.6805 128.0598 60.0279 37.6588 175.7317 79 T 4.5620 8.2701 113.7921 60.7865 70.5728 174.5704 80 R 4.2857 8.0463 118.9659 55.9624 30.1610 176.2008 81 T 4.6481 8.2467 110.3622 60.5119 71.7419 175.5904 82 K 3.6836 8.4372 121.5630 59.6390 32.0293 178.1039 83 E 3.9343 8.1112 118.8828 59.5006 29.5144 178.5947 84 E 3.9396 8.2009 118.3326 59.1617 29.4725 178.9503 85 A 3.9512 8.0044 120.9787 55.3047 18.3179 179.4416 86 L 3.9503 7.7509 118.0601 57.8998 42.1545 178.7938 87 E 3.8835 8.2300 118.7810 59.2583 29.3911 179.2684 88 L 3.4301 7.7953 118.7288 57.7493 41.6297 179.5083 89 I 3.7568 7.6158 119.5539 64.6713 37.1759 178.3166 90 N 4.4407 8.4388 117.5418 56.0928 38.4553 177.7852 91 G 3.4720 8.0280 107.2091 47.9842 0.0000 175.3689 92 Y 4.4406 8.0142 119.7830 60.9831 37.8262 178.7911 93 I 3.8217 8.1568 120.8615 64.3704 37.0636 178.6163 94 Q 3.9865 8.0657 118.5072 58.9073 28.4272 178.4446 95 K 3.9154 7.6768 117.6789 59.8710 32.4207 178.9174 96 I 4.1585 7.9220 120.9321 64.0650 36.9097 178.6519 97 K 4.0179 8.3916 118.7517 59.2998 32.0202 178.7466 98 S 4.4791 8.4418 112.4311 58.1960 63.8194 175.4148 99 G 3.9501 8.3932 111.2409 46.0015 0.0000 174.8915 100 E 4.2147 7.9351 119.7384 57.7834 29.8511 175.7979 101 E 4.7806 7.5169 114.9248 55.3386 34.2558 173.9143 102 D 5.1454 8.0204 119.7246 50.9010 43.6066 176.4426 103 F 3.8813 8.8508 121.6086 61.8315 39.1118 176.8515 104 E 4.0454 8.5472 117.2673 59.7532 29.2086 179.4995 105 S 3.9806 7.9457 112.6459 61.3461 62.5511 175.8919 106 L 3.8657 7.7030 121.4078 57.7574 41.3582 179.3550 107 A 3.7201 8.2584 121.1439 55.2373 18.0623 179.7422 108 S 4.2034 7.8510 112.2935 61.9943 63.0000 176.8710 109 Q 3.8744 7.8769 119.3642 58.1755 28.4612 177.2261 110 F 4.9004 7.9788 115.3628 57.1903 40.9765 175.9261 111 S 4.4095 7.9467 116.2951 58.1503 62.4906 173.7454 112 D 4.2858 9.1064 127.2016 55.5324 41.0207 176.0857 113 C 4.5754 8.3504 121.6898 58.1439 32.3755 174.5301 114 S 4.2151 8.8043 120.6140 60.8406 62.9023 175.8635 115 S 4.3123 8.2070 114.4281 59.3571 63.0875 175.6587 116 A 4.0448 8.4363 126.5789 55.3778 18.1750 179.6875 117 K 4.0287 7.5178 112.5298 58.2865 32.9635 177.2969 118 A 4.6202 7.5136 123.1588 52.0001 19.4316 176.6789 119 R 3.9021 8.7180 115.3627 58.9235 28.2361 177.9449 120 G 4.0673 8.6878 105.5310 45.4306 0.0000 173.6057 121 D 4.7500 8.0243 119.8853 54.1171 41.5815 175.9202 122 L 4.4241 8.8147 125.2069 53.9869 42.7842 177.3513 123 G 3.9226 8.5004 105.7433 44.5074 0.0000 172.7270 124 A 4.6752 8.1631 120.0324 51.7929 19.5847 176.7149 125 F 5.1413 8.8637 114.2485 55.9987 41.9458 172.8675 126 S 5.5684 8.9247 113.1992 56.0617 67.0050 173.3732 127 R 4.1197 8.3294 118.9256 57.9240 30.0928 176.5488 128 G 4.1833 9.2963 110.9080 46.3214 0.0000 175.4181 129 Q 4.1549 7.9520 118.2315 58.1275 28.9966 176.2080 130 M 4.5964 7.6167 114.3529 52.2876 35.4097 175.5810 131 A 3.9842 8.3442 121.7197 52.9943 20.0481 179.2186 132 K 3.9978 8.6746 123.1277 59.0897 32.4341 177.8040 133 P 4.3117 0.0000 0.0000 65.9248 31.1760 178.3398 134 F 4.0140 8.2133 118.6477 60.9935 39.3991 176.7957 135 E 4.3831 8.8171 119.4958 59.5953 29.5327 178.4919 136 D 4.4651 8.8025 119.0978 57.3467 40.8404 178.7143 137 A 3.8779 7.8607 120.6923 55.1701 18.1566 179.7048 138 S 3.9043 8.0616 112.8185 61.9578 63.1033 176.8481 139 F 4.0211 8.6614 118.2115 59.1687 38.8580 176.8032 140 A 4.3993 7.6767 118.7381 51.7103 19.2917 177.4185 141 L 4.3114 6.8389 116.9855 54.2238 42.6406 177.0580 142 R 4.3774 9.5562 121.0617 55.1585 31.2731 176.5568 143 T 3.9167 8.1467 117.0143 65.3498 68.6800 175.1765 144 G 3.8970 9.3216 115.5573 44.9750 0.0000 172.8980 145 E 4.3797 8.1768 121.6855 55.5790 31.2957 174.4369 146 M 5.0304 8.3455 125.5867 53.5760 33.9354 175.7096 147 S 4.2258 8.8745 121.4604 58.4916 64.2374 174.7520 148 G 4.1420 7.8914 107.8785 44.4661 0.0000 171.1950 149 P 4.7042 0.0000 0.0000 62.7577 32.0555 176.4189 150 V 4.6950 8.5855 123.4588 61.0950 35.1495 173.9324 151 F 5.3646 9.1471 125.0008 56.0533 41.7666 174.6741 152 T 4.8561 8.7282 112.0932 60.0202 72.1899 174.1604 153 D 4.6549 8.6388 119.4723 56.2942 40.8402 178.5402 154 S 4.5567 8.3275 114.7728 58.8408 64.2023 175.3832 155 G 3.6451 6.2836 107.5533 45.2967 0.0000 170.9107 156 I 4.6242 7.7376 122.7965 59.8112 40.1972 175.1219 157 H 5.3342 9.4730 124.4339 54.7340 31.3860 174.1240 158 I 4.8699 8.8108 121.6900 59.7324 39.9760 174.5959 159 I 4.9317 8.7938 128.1904 59.3075 40.0878 174.3704 160 L 4.7364 8.8076 128.5104 52.9676 44.7139 175.1134 161 R 4.5652 8.4678 128.1418 56.2724 30.3293 176.6077 162 T 4.1432 8.9044 117.6804 62.8850 70.6616 174.9385 163 E 4.1627 7.6758 126.2046 56.7114 30.6013 174.6061 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 7 L 8.18 4.32 0.00 1.76 1.74 1.14 0.47 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 8 P 0.00 4.36 0.00 2.45 2.06 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 9 P 0.00 4.23 0.00 2.06 2.07 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 10 G 8.74 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 0.00 0.00 0.00 11 W 7.61 5.06 0.00 3.23 3.14 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 12 E 9.04 4.92 0.00 2.08 1.90 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 2.26 2.33 0.00 13 K 8.89 4.25 0.00 1.68 1.61 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.60 7.81 14 A 8.08 4.56 0.49 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 15 M 8.31 5.03 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 S 8.94 4.55 0.00 4.25 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 17 R 8.82 3.95 0.00 1.97 2.06 0.00 3.07 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 18 S 8.16 4.22 0.00 3.88 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 19 S 8.22 4.38 0.00 3.91 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 20 G 8.18 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 21 R 7.44 4.68 0.00 1.94 2.00 0.00 2.94 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 22 V 8.58 4.14 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 0.42 0.00 0.00 0.92 0.00 0.00 23 Y 8.55 5.03 0.00 3.05 2.59 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 24 Y 9.00 5.23 0.00 2.86 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 25 F 9.51 5.42 0.00 3.07 3.02 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 26 N 7.82 4.50 0.00 1.44 1.63 0.00 0.00 6.78 7.80 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 27 H 8.30 4.21 0.00 3.31 3.54 0.00 5.80 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.36 3.76 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.01 0.86 0.00 0.00 29 T 7.66 4.07 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 1.03 0.00 0.00 30 N 7.78 3.50 0.00 3.03 2.98 0.00 0.00 6.78 7.04 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 31 A 7.10 4.43 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 32 S 8.64 5.73 0.00 4.10 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 0.00 33 Q 8.81 4.50 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 34 W 8.50 4.58 0.00 3.48 3.36 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 35 E 8.13 4.38 0.00 1.93 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 2.35 2.47 0.00 36 R 8.52 2.51 0.00 1.27 1.63 0.00 3.14 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.00 37 P 0.00 3.66 0.00 1.26 0.49 0.00 2.48 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 38 S 7.97 4.68 0.00 3.91 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 *51 E 8.66 4.11 0.00 2.03 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 2.29 2.50 0.00 52 P 0.00 4.68 0.00 2.40 2.03 0.00 3.98 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 2.03 1.93 0.00 53 A 8.59 4.23 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 54 R 7.77 5.11 0.00 1.62 1.84 0.00 3.17 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 55 V 8.12 4.37 0.95 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 0.01 0.00 0.00 -0.54 0.00 0.00 56 R 8.68 4.87 0.00 1.70 1.63 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 57 C 8.84 5.34 0.00 3.36 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 58 S 9.05 5.53 0.00 3.85 4.07 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 59 H 9.41 5.81 0.00 3.54 3.57 0.00 5.51 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.18 4.65 0.00 1.34 1.51 0.53 0.48 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 61 L 8.46 4.96 0.00 1.66 1.40 0.72 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.25 4.66 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 0.92 0.00 0.00 1.07 0.00 0.00 63 K 9.41 4.60 0.00 1.72 1.66 0.00 1.65 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.32 7.81 64 H 9.43 5.09 0.00 3.25 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.51 4.34 0.00 4.03 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 66 Q 8.08 4.54 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 67 S 8.04 4.30 0.00 3.83 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 68 R 8.12 3.48 0.00 1.85 1.90 0.00 3.24 0.00 0.00 3.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 69 R 7.47 4.37 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 70 P 0.00 4.64 0.00 2.21 2.01 0.00 3.65 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 2.11 2.29 0.00 71 S 7.76 4.46 0.00 3.77 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 72 S 8.76 4.64 0.00 3.95 3.82 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 73 W 8.66 4.35 0.00 3.50 3.25 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 0.00 74 R 6.64 3.57 0.00 1.23 1.55 0.00 2.75 0.00 0.00 2.88 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.47 4.32 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 76 E 8.93 3.90 0.00 2.04 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 2.37 2.30 0.00 77 K 7.79 4.50 0.00 1.71 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.41 7.81 78 I 9.68 4.45 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.34 0.88 0.00 0.00 79 T 8.27 4.56 4.23 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 1.20 0.00 0.00 80 R 8.05 4.29 0.00 2.12 2.08 0.00 3.27 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 81 T 8.25 4.65 4.23 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 1.20 0.00 0.00 82 K 8.44 3.68 0.00 1.66 1.81 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.46 7.81 83 E 8.11 3.93 0.00 2.07 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 2.37 2.40 0.00 84 E 8.20 3.94 0.00 2.05 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 2.30 0.00 85 A 8.00 3.95 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 86 L 7.75 3.95 0.00 1.86 1.86 1.02 1.32 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 87 E 8.23 3.88 0.00 2.08 1.89 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 2.27 2.32 0.00 88 L 7.80 3.43 0.00 1.68 1.20 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.62 3.76 1.94 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 1.65 0.79 0.90 0.00 0.00 90 N 8.44 4.44 0.00 2.79 2.84 0.00 0.00 6.94 8.50 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 91 G 8.03 3.47 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 0.00 0.00 0.00 92 Y 8.01 4.44 0.00 3.11 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 93 I 8.16 3.82 2.06 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 1.62 1.00 0.97 0.00 0.00 94 Q 8.07 3.99 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 95 K 7.68 3.92 0.00 2.02 1.97 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.75 7.81 96 I 7.92 4.16 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.19 1.06 0.00 0.00 97 K 8.39 4.02 0.00 1.82 1.95 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.71 7.81 98 S 8.44 4.48 0.00 4.04 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 99 G 8.39 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 E 7.94 4.21 0.00 1.94 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 2.37 2.32 0.00 101 E 7.52 4.78 0.00 2.10 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 2.22 2.40 0.00 102 D 8.02 5.15 0.00 2.93 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 0.00 103 F 8.85 3.88 0.00 3.24 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 0.00 104 E 8.55 4.05 0.00 2.32 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 2.48 2.58 0.00 105 S 7.95 3.98 0.00 3.82 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 0.00 106 L 7.70 3.87 0.00 1.66 1.38 0.99 0.95 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 0.00 107 A 8.26 3.72 1.04 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 0.00 108 S 7.85 4.20 0.00 3.83 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 0.00 109 Q 7.88 3.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 110 F 7.98 4.90 0.00 2.58 2.87 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 0.00 0.00 0.00 111 S 7.95 4.41 0.00 3.81 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 0.00 112 D 9.11 4.29 0.00 2.72 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 0.00 113 C 8.35 4.58 0.00 3.00 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 0.00 114 S 8.80 4.22 0.00 4.03 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 0.00 115 S 8.21 4.31 0.00 4.23 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 0.00 116 A 8.44 4.04 1.60 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 0.00 117 K 7.52 4.03 0.00 1.66 1.61 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.27 7.81 118 A 7.51 4.62 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 0.00 119 R 8.72 3.90 0.00 2.04 2.09 0.00 3.21 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 120 G 8.69 4.07 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 0.00 0.00 0.00 121 D 8.02 4.75 0.00 2.74 2.69 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 0.00 122 L 8.81 4.42 0.00 1.93 1.65 0.67 0.76 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 0.00 123 G 8.50 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 0.00 124 A 8.16 4.68 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 0.00 125 F 8.86 5.14 0.00 3.13 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 0.00 126 S 8.92 5.57 0.00 3.97 4.12 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 0.00 127 R 8.33 4.12 0.00 1.56 1.79 0.00 2.76 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 128 G 9.30 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 0.00 0.00 0.00 0.00 129 Q 7.95 4.15 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 130 M 7.62 4.60 0.00 1.55 1.81 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.03 0.00 131 A 8.34 3.98 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 0.00 132 K 8.67 4.00 0.00 1.82 1.90 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.49 7.81 133 P 0.00 4.31 0.00 2.25 2.22 0.00 3.84 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 2.22 2.13 0.00 134 F 8.21 4.01 0.00 3.07 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 0.00 135 E 8.82 4.38 0.00 2.39 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 0.00 2.53 2.80 0.00 136 D 8.80 4.47 0.00 2.70 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 0.00 137 A 7.86 3.88 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 0.00 138 S 8.06 3.90 0.00 4.21 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 0.00 139 F 8.66 4.02 0.00 3.10 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 0.00 140 A 7.68 4.40 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 0.00 141 L 6.84 4.31 0.00 1.68 1.53 0.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.56 4.38 0.00 1.89 1.83 0.00 3.12 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 143 T 8.15 3.92 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 1.17 0.00 0.00 144 G 9.32 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 0.00 145 E 8.18 4.38 0.00 2.06 1.93 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 2.29 2.30 0.00 146 M 8.35 5.03 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 147 S 8.87 4.23 0.00 3.95 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 0.00 148 G 7.89 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 0.00 149 P 0.00 4.70 0.00 2.04 1.91 0.00 3.72 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 2.15 2.13 0.00 150 V 8.59 4.70 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 1.03 0.00 0.00 0.88 0.00 0.00 151 F 9.15 5.36 0.00 2.95 3.03 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 0.00 152 T 8.73 4.86 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 1.36 0.00 0.00 153 D 8.64 4.65 0.00 2.76 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 0.00 154 S 8.33 4.56 0.00 3.93 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 0.00 155 G 6.28 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 0.00 156 I 7.74 4.62 1.63 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.53 0.27 0.00 0.00 157 H 9.47 5.33 0.00 3.08 3.43 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.81 4.87 2.11 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 1.33 0.82 1.17 0.00 0.00 159 I 8.79 4.93 1.65 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.64 0.67 0.00 0.00 160 L 8.81 4.74 0.00 0.61 0.32 0.75 0.36 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 0.00 161 R 8.47 4.57 0.00 1.82 1.82 0.00 2.92 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 162 T 8.90 4.14 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 1.14 0.00 0.00 163 E 7.68 4.16 0.00 1.92 1.74 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 2.26 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.