NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5417 8.1927 115.5798 58.2939 64.7692 172.9708 6 L 4.4577 7.8761 121.9547 55.1716 43.0745 173.5303 7 Y 5.1368 9.5732 123.5213 56.2498 43.2876 173.8163 8 R 5.1688 8.9580 120.6912 54.6055 34.0874 173.6393 9 L 5.2723 9.2746 127.1014 53.3338 45.5099 174.8795 10 I 5.2157 8.9490 127.1313 59.7266 40.2328 174.2324 11 Y 5.4444 8.6202 123.7320 55.5200 42.0028 173.9612 12 S 5.3312 9.1990 114.6522 57.0652 66.5522 172.8860 13 S 5.0746 9.0577 115.6945 57.5811 68.2962 173.0210 14 Q 4.5680 8.9278 120.7739 54.1845 29.8432 176.1040 15 G 4.4107 8.9551 112.8235 45.8076 0.0000 172.9364 16 I 4.0568 8.9485 116.3544 60.4994 38.3893 175.3951 17 P 4.1827 0.0000 0.0000 66.4938 31.5009 178.6019 *18 N 4.9108 7.7679 113.2665 51.7942 37.8468 177.2784 19 L 4.2893 7.6207 122.1078 55.9126 42.8420 177.9070 *20 Q 4.7778 9.0700 121.1322 51.9377 31.7217 173.3013 21 P 4.3564 0.0000 0.0000 68.0889 31.0045 179.1983 *22 Q 4.0663 8.1421 119.7938 60.0496 27.7984 180.5907 23 D 4.6943 8.0462 121.6857 57.9762 40.8060 179.1882 *24 L 4.0591 7.9722 124.8406 60.1828 40.7927 181.7524 25 K 4.1286 7.9155 124.7572 59.7656 31.5930 180.6485 26 D 4.5339 8.1490 120.3040 57.1279 40.6585 179.0587 27 I 3.5898 7.8814 120.3405 64.1687 37.0524 178.0721 28 L 3.8832 8.0758 121.3723 58.3050 41.9257 178.7958 29 E 3.9290 8.4015 118.6438 59.5662 29.4124 179.5428 30 S 4.1042 8.0234 115.2889 61.6468 62.8536 176.9790 31 S 4.1228 8.1956 116.9297 61.7065 62.5083 176.5812 32 Q 4.0043 8.2272 120.7281 58.0431 28.4381 178.1716 33 R 4.1064 7.6550 119.4425 58.9931 30.2017 177.5372 34 N 4.5952 8.2918 115.9083 55.5677 38.8128 177.3028 35 N 4.2861 8.3596 118.1125 55.8145 38.6725 175.3494 36 P 4.2455 0.0000 0.0000 65.7401 31.2655 178.5138 37 A 4.0079 8.0561 118.1431 54.7492 18.4280 177.6603 38 N 4.6670 7.5885 110.8749 52.4482 38.9299 175.2199 39 G 3.9994 7.8836 106.2106 46.5026 0.0000 173.6343 40 I 4.6172 7.9250 120.3956 59.7216 38.6125 175.6253 41 T 5.1052 9.6272 114.2238 59.1829 70.6077 174.1592 42 G 3.8306 7.2644 106.7936 45.9759 0.0000 170.5461 43 L 4.7733 7.2659 119.8626 53.5411 45.8960 175.3122 44 L 5.1536 8.9155 127.7145 53.3342 45.1648 174.3649 45 C 5.4187 9.4552 126.3085 57.7251 34.9413 171.6669 46 Y 4.8698 9.1015 127.2914 56.1189 40.8762 174.1108 47 S 5.0850 8.1944 122.9529 54.6185 63.6702 171.8253 48 K 3.4575 7.2742 122.8142 54.8162 32.1161 174.5983 49 P 4.5871 0.0000 0.0000 62.7908 32.7435 175.0084 50 A 4.9221 7.9723 123.7965 51.2852 20.8703 176.5591 51 F 5.4546 9.0830 119.4822 56.0052 42.1442 174.9086 52 L 5.0573 9.0058 123.2885 53.5678 45.4082 174.8801 53 Q 5.0302 8.5438 126.7110 54.1657 33.2466 173.7636 54 V 4.9141 8.4930 124.1497 59.8656 34.5922 174.3893 55 L 5.3100 9.1677 123.0307 53.1137 45.5511 175.3497 56 E 5.2272 10.5535 122.4916 53.7938 33.8095 175.8706 57 G 4.6137 7.9227 108.7272 45.7659 0.0000 171.5320 58 E 4.7122 8.1145 117.5254 55.9699 30.6176 177.2979 59 C 3.5865 8.8542 120.9866 62.8082 31.3572 175.7899 60 E 3.8770 8.0650 120.0061 59.5534 29.1333 178.6872 61 Q 4.0001 7.9593 117.4492 58.6212 28.8886 178.3436 62 V 3.6265 8.1204 119.7279 66.2216 31.4930 177.9253 63 N 4.3708 8.2030 116.1098 56.1028 38.4219 176.9319 64 E 3.9334 8.3713 120.8284 59.7067 29.6759 179.0574 65 T 3.8271 8.1836 115.8723 66.7070 68.5415 175.9012 66 Y 3.9551 8.2739 121.6538 61.2390 38.6693 178.0931 67 H 3.9918 8.0949 115.2970 58.1689 28.6164 177.4154 68 R 4.0234 7.8143 120.9294 59.0043 29.8753 178.3006 69 I 3.6010 7.8150 120.0255 64.4849 36.8770 178.8245 70 V 3.3736 7.0669 112.0404 63.6575 31.3311 177.6505 71 Q 4.2210 7.2986 114.8604 55.7000 29.4837 175.5227 72 D 4.3734 7.9284 125.5040 54.9201 41.6696 177.1546 *73 E 4.3092 8.7087 121.6882 57.5590 30.1778 174.5922 74 R 4.4213 8.4318 116.5594 57.9136 30.5078 175.3730 75 H 5.4562 7.7885 111.6024 55.0905 31.7146 171.5517 76 H 4.7229 9.0610 115.0600 54.9941 31.7524 172.8615 77 S 3.8987 8.7279 112.6126 58.9271 59.8876 171.6383 78 P 4.6747 0.0000 0.0000 62.4988 32.1413 175.9561 79 Q 4.6123 9.2914 120.7531 53.9401 31.6049 174.8875 80 I 4.0188 8.5118 126.0703 61.8030 37.0709 176.1955 81 I 4.1703 8.8966 129.1493 63.4174 38.1772 176.2610 82 E 4.7359 7.7752 120.7941 55.1443 33.1797 173.5452 83 C 5.3338 8.5199 126.3246 58.3583 34.3709 172.5150 84 M 4.5442 8.7049 122.3427 53.3292 34.5573 172.4276 85 P 4.0929 0.0000 0.0000 62.4353 32.0775 175.8180 86 I 4.5574 8.1223 115.9783 59.0872 40.0098 176.0277 87 R 4.0709 8.7249 122.7081 59.1797 30.2874 177.0159 88 R 4.5255 7.2345 110.4138 55.1410 31.6782 174.5139 89 R 4.4493 8.3128 118.0420 56.2390 30.8334 176.3408 90 N 4.7307 9.5049 115.5658 52.9993 40.6815 175.5772 91 F 4.6854 8.4063 117.2561 56.8253 39.8676 176.8685 92 E 4.1251 8.2736 120.1986 58.7150 29.3449 177.9436 93 V 3.8688 7.3590 111.3536 61.7558 32.2768 175.6541 94 W 5.1216 7.9839 121.3031 54.4667 31.3560 176.2027 95 S 4.4150 9.2142 118.8128 61.4182 62.7239 174.3565 96 M 4.7195 7.7224 117.6433 55.2191 34.7451 174.3525 97 Q 4.5523 8.1118 122.9467 53.7217 33.1709 173.3704 98 A 5.1813 8.3281 121.1008 50.4511 21.7768 175.6320 99 I 4.5964 8.7279 123.1563 59.5687 40.7702 174.6574 100 T 4.9280 8.5962 117.3884 60.5779 70.7558 174.3933 101 V 4.5103 8.8177 124.8965 61.5677 34.7622 173.7322 102 N 5.0500 8.8550 126.5117 52.2898 39.4010 174.1451 103 D 4.4430 8.6753 115.9755 56.8438 41.4878 177.6595 104 L 4.4074 7.6933 116.5875 55.2541 42.2980 177.0092 105 S 4.3360 7.5304 115.1647 58.2201 63.4754 174.4909 106 T 4.1058 8.2708 116.3122 61.9757 69.0404 174.9465 107 E 3.9882 8.7271 123.8227 59.5241 29.3397 179.5469 108 Q 3.9717 8.0866 117.1694 59.3539 28.5504 178.9644 109 V 3.6428 7.6981 119.5486 65.7063 31.7925 177.8454 110 K 3.9883 8.2773 118.3550 60.0945 31.8762 179.4100 111 T 4.0171 8.3531 116.0745 66.2363 68.0846 177.0179 112 L 4.0839 7.5822 120.6666 57.7281 41.8611 179.2137 113 V 3.8419 7.9907 118.1731 66.0929 31.4972 177.8097 114 L 4.1407 7.9790 121.3545 57.4945 41.6706 178.6932 115 K 3.7886 7.9401 118.7458 58.7416 32.0521 176.7473 116 Y 4.7375 7.3359 113.8426 57.4835 38.4988 174.6383 117 S 4.5598 7.6068 113.7246 57.4297 65.9603 174.5475 118 G 3.4258 8.4927 108.2649 47.2314 0.0000 172.8711 119 F 4.8282 7.5796 117.1232 56.5223 43.0463 174.3533 120 T 4.4690 8.6988 114.0819 62.5700 67.5564 174.0532 121 T 4.5137 7.5680 110.7027 60.1202 70.6431 173.8029 122 L 3.9126 8.2995 127.2090 54.8495 42.5669 176.5743 123 R 4.4227 8.1055 124.4220 53.3252 31.7322 173.6240 124 P 4.2045 0.0000 0.0000 65.4420 31.5401 178.9959 125 S 4.1836 8.1283 110.5177 60.1751 62.8480 174.4003 126 A 4.6551 8.0911 123.3577 51.9844 19.1261 176.2158 127 M 4.9693 7.9215 116.3554 53.2591 35.5581 175.9474 128 D 4.7238 8.6825 122.9465 52.1150 42.1811 175.8855 129 P 4.2247 0.0000 0.0000 65.6186 31.2088 178.5877 130 E 3.9484 8.2069 117.7302 59.4372 29.6115 178.8020 131 Q 3.9568 8.6125 118.1696 58.8661 28.8747 178.3200 132 C 4.1065 8.2385 117.9633 62.7293 28.1401 175.9634 133 L 4.0049 7.9488 121.6670 58.3728 41.7632 178.7444 134 N 4.2081 8.0152 116.4139 56.0476 38.2777 177.0762 135 F 3.9433 7.6969 122.0555 61.3257 39.5455 177.2667 136 L 3.9138 7.9239 118.1675 57.7110 41.2010 179.4697 137 L 4.0117 8.1211 118.4342 57.8940 41.8317 179.0824 138 D 4.4651 8.0946 118.8273 57.3654 40.9154 178.7050 139 I 3.5765 7.7459 119.0522 63.7241 37.6409 177.7059 140 A 4.4737 7.8675 120.8113 54.7292 18.2858 178.9652 141 K 4.2462 7.8048 115.6603 57.7896 32.4305 178.3671 142 I 3.7257 7.3961 112.5332 63.0996 37.9549 175.6814 143 Y 4.4288 7.7126 121.8930 57.7677 37.9725 175.2850 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 5 S 8.19 4.54 0.00 3.97 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 6 L 7.88 4.46 0.00 1.94 1.58 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.57 5.14 0.00 3.02 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 8 R 8.96 5.17 0.00 1.87 1.71 0.00 3.13 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 1.55 1.72 0.00 9 L 9.27 5.27 0.00 1.69 1.46 0.45 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.95 5.22 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.95 0.00 0.00 11 Y 8.62 5.44 0.00 3.21 2.92 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 12 S 9.20 5.33 0.00 3.97 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 13 S 9.06 5.07 0.00 4.21 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 14 Q 8.93 4.57 0.00 1.69 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 15 G 8.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.95 4.06 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 1.05 0.00 0.00 17 P 0.00 4.18 0.00 2.09 2.19 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 *18 N 7.77 4.91 0.00 2.73 2.67 0.00 0.00 6.69 7.79 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 19 L 7.62 4.29 0.00 1.66 1.51 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *20 Q 9.07 4.78 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 21 P 0.00 4.36 0.00 2.23 2.33 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 *22 Q 8.14 4.07 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 23 D 8.05 4.69 0.00 2.83 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 *24 L 7.97 4.06 0.00 1.65 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.92 4.13 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 26 D 8.15 4.53 0.00 2.85 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 27 I 7.88 3.59 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.76 0.00 0.00 28 L 8.08 3.88 0.00 1.83 1.72 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.40 3.93 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 2.31 2.42 0.00 30 S 8.02 4.10 0.00 3.98 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 31 S 8.20 4.12 0.00 4.04 4.10 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 0.00 0.00 0.00 32 Q 8.23 4.00 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 33 R 7.66 4.11 0.00 1.90 2.16 0.00 3.24 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 1.63 1.66 0.00 34 N 8.29 4.60 0.00 2.78 2.83 0.00 0.00 7.03 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.36 4.29 0.00 2.97 3.13 0.00 0.00 6.96 8.18 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 36 P 0.00 4.25 0.00 2.17 2.14 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 37 A 8.06 4.01 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 38 N 7.59 4.67 0.00 2.72 2.87 0.00 0.00 6.95 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.88 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 40 I 7.93 4.62 1.91 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 1.55 0.94 1.01 0.00 0.00 41 T 9.63 5.11 4.71 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 1.32 0.00 0.00 42 G 7.26 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 0.00 0.00 0.00 43 L 7.27 4.77 0.00 1.73 1.00 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.92 5.15 0.00 1.76 1.63 0.96 0.51 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 45 C 9.46 5.42 0.00 3.10 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 46 Y 9.10 4.87 0.00 3.04 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 47 S 8.19 5.09 0.00 3.75 3.55 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 48 K 7.27 3.46 0.00 1.59 1.62 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.14 7.81 49 P 0.00 4.59 0.00 2.09 2.24 0.00 3.55 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 1.97 1.91 0.00 50 A 7.97 4.92 1.15 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 0.00 0.00 51 F 9.08 5.45 0.00 3.19 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 52 L 9.01 5.06 0.00 1.68 1.48 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.54 5.03 0.00 1.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 54 V 8.49 4.91 1.95 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 -0.04 0.00 0.00 0.92 0.00 0.00 55 L 9.17 5.31 0.00 1.62 1.63 1.12 0.74 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 56 E 10.55 5.23 0.00 1.93 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 2.34 2.35 0.00 57 G 7.92 4.61 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 58 E 8.11 4.71 0.00 2.19 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 0.00 2.38 2.30 0.00 59 C 8.85 3.59 0.00 2.68 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 60 E 8.06 3.88 0.00 2.03 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 2.37 2.39 0.00 61 Q 7.96 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 62 V 8.12 3.63 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 1.17 0.00 0.00 1.05 0.00 0.00 63 N 8.20 4.37 0.00 3.02 2.92 0.00 0.00 6.70 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 64 E 8.37 3.93 0.00 2.11 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 2.31 2.50 0.00 65 T 8.18 3.83 4.29 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 1.24 0.00 0.00 66 Y 8.27 3.96 0.00 3.00 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 67 H 8.09 3.99 0.00 3.18 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.81 4.02 0.00 1.87 2.10 0.00 3.07 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 69 I 7.82 3.60 1.71 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 1.46 0.56 0.81 0.00 0.00 70 V 7.07 3.37 1.82 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 -0.18 0.00 0.00 0.75 0.00 0.00 71 Q 7.30 4.22 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 72 D 7.93 4.37 0.00 2.79 2.56 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 *73 E 8.71 4.31 0.00 2.03 1.84 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 2.23 1.90 0.00 74 R 8.43 4.42 0.00 1.96 2.02 0.00 3.07 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 H 7.79 5.46 0.00 3.53 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.06 4.72 0.00 3.33 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.73 3.90 0.00 4.08 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 78 P 0.00 4.67 0.00 2.28 2.01 0.00 3.33 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 79 Q 9.29 4.61 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 I 8.51 4.02 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.80 0.00 0.00 81 I 8.90 4.17 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.92 0.00 0.00 82 E 7.78 4.74 0.00 2.01 1.73 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 2.27 2.30 0.00 83 C 8.52 5.33 0.00 2.93 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 84 M 8.70 4.54 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 P 0.00 4.09 0.00 1.75 1.79 0.00 3.33 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 86 I 8.12 4.56 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.92 0.00 0.00 87 R 8.72 4.07 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 88 R 7.23 4.53 0.00 1.84 1.83 0.00 2.97 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 89 R 8.31 4.45 0.00 1.91 2.12 0.00 3.17 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 90 N 9.50 4.73 0.00 2.28 2.11 0.00 0.00 6.74 7.15 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 91 F 8.41 4.69 0.00 3.34 3.09 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 0.00 0.00 0.00 0.00 92 E 8.27 4.13 0.00 2.06 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 2.18 2.22 0.00 93 V 7.36 3.87 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 0.56 0.00 0.00 0.12 0.00 0.00 94 W 7.98 5.12 0.00 3.56 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 95 S 9.21 4.41 0.00 3.93 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 96 M 7.72 4.72 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 97 Q 8.11 4.55 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 98 A 8.33 5.18 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 99 I 8.73 4.60 1.95 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 1.25 1.11 1.09 0.00 0.00 100 T 8.60 4.93 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 1.31 0.00 0.00 101 V 8.82 4.51 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 1.11 0.00 0.00 1.16 0.00 0.00 102 N 8.86 5.05 0.00 2.84 2.81 0.00 0.00 6.21 7.68 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 0.00 103 D 8.68 4.44 0.00 2.63 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 0.00 104 L 7.69 4.41 0.00 1.68 1.70 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.53 4.34 0.00 4.04 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 0.00 106 T 8.27 4.11 4.29 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 1.25 0.00 0.00 107 E 8.73 3.99 0.00 2.02 2.00 0.00 0.00 0.00 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 2.33 0.00 108 Q 8.09 3.97 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 109 V 7.70 3.64 2.16 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 1.20 0.00 0.00 0.97 0.00 0.00 110 K 8.28 3.99 0.00 2.00 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.80 7.81 111 T 8.35 4.02 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 1.20 0.00 0.00 112 L 7.58 4.08 0.00 1.87 2.01 0.83 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 0.00 113 V 7.99 3.84 2.38 0.00 0.00 0.00 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 1.12 0.00 0.00 114 L 7.98 4.14 0.00 2.00 1.81 0.90 0.14 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 0.00 115 K 7.94 3.79 0.00 1.84 1.61 0.00 1.66 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.83 1.24 7.81 116 Y 7.34 4.74 0.00 3.03 2.95 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 0.00 117 S 7.61 4.56 0.00 3.94 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 0.00 118 G 8.49 3.43 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 0.00 119 F 7.58 4.83 0.00 3.00 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 0.00 120 T 8.70 4.47 4.30 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 1.26 0.00 0.00 121 T 7.57 4.51 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 1.19 0.00 0.00 122 L 8.30 3.91 0.00 1.40 1.48 -0.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.11 4.42 0.00 1.85 1.77 0.00 3.14 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 124 P 0.00 4.20 0.00 2.16 2.09 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 125 S 8.13 4.18 0.00 3.99 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 0.00 126 A 8.09 4.66 1.36 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 0.00 0.00 127 M 7.92 4.97 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 128 D 8.68 4.72 0.00 2.95 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 0.00 129 P 0.00 4.22 0.00 2.18 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 2.12 2.26 0.00 130 E 8.21 3.95 0.00 2.04 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 2.41 0.00 131 Q 8.61 3.96 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 132 C 8.24 4.11 0.00 3.13 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 0.00 133 L 7.95 4.00 0.00 1.79 1.80 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.02 4.21 0.00 2.30 2.38 0.00 0.00 6.71 7.57 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 0.00 135 F 7.70 3.94 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 0.00 136 L 7.92 3.91 0.00 2.11 1.86 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.12 4.01 0.00 1.71 1.66 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.09 4.47 0.00 2.80 2.74 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 0.00 139 I 7.75 3.58 1.19 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 1.48 1.28 0.79 0.00 0.00 140 A 7.87 4.47 1.76 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 0.00 141 K 7.80 4.25 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.70 7.81 142 I 7.40 3.73 1.36 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 1.29 -0.36 0.76 0.00 0.00 143 Y 7.71 4.43 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.