NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5007 8.3049 120.2585 55.1459 33.4982 174.5443 2 K 4.2140 8.4478 122.1216 52.4395 34.4716 173.7874 3 K 4.8084 8.4358 120.2728 55.0152 35.6971 175.5123 4 G 3.7487 8.3287 112.3748 43.4966 0.0000 172.7990 5 R 3.8701 7.9507 120.5618 57.6059 28.6843 176.7960 6 G 4.0762 10.3329 112.3790 44.9722 0.0000 170.5819 7 Y 4.8780 6.7961 115.3989 55.5795 40.4576 173.2323 8 V 5.0808 8.2906 120.8844 61.6285 34.4387 173.9843 9 Y 4.9780 8.6353 123.4964 56.3396 41.8448 173.8759 10 K 4.6632 8.5087 122.0405 55.7401 34.8804 174.9422 11 L 4.6738 8.7032 127.5532 52.9822 45.1707 175.4785 12 E 5.0247 8.4578 122.6358 54.5513 33.2192 174.8710 13 Y 5.0858 8.7759 120.8699 56.5002 41.8095 174.4982 14 H 5.0534 9.5054 122.1804 55.4993 30.4675 174.1575 15 L 5.3597 9.3470 125.1482 53.4490 45.3986 175.1179 16 I 5.6176 9.2871 126.3549 58.3907 41.3738 174.3668 17 W 5.6943 8.1250 120.9586 55.6509 31.6574 172.9327 18 A 5.5632 8.8758 121.8924 50.1190 21.9669 176.1289 19 T 4.9647 9.0536 110.0872 61.2882 70.7222 174.3425 20 K 3.8675 9.4489 123.2150 58.1466 32.6575 177.2090 21 Y 3.9819 8.6541 118.1091 57.3723 35.6685 170.3546 22 R 4.2733 8.1033 115.4050 55.8961 28.4368 176.3618 23 H 4.0501 8.3178 116.5891 56.5976 30.6658 176.0604 24 Q 4.3540 8.1721 127.9355 54.8731 27.0592 175.7906 25 V 3.9446 7.1743 110.5498 61.6193 33.7275 177.5691 26 L 4.3108 7.7544 122.3559 53.1776 40.1134 175.7973 27 V 4.6118 6.8242 113.8416 60.1778 37.1605 177.5481 28 D 4.1402 8.2715 122.4769 55.3365 40.1988 177.9516 29 E 4.1158 8.7401 127.3471 59.9815 29.9802 179.2099 30 V 2.4524 7.7344 119.3640 65.4503 31.4502 177.7014 31 A 3.9530 7.6484 119.9995 55.3009 18.1268 179.0419 32 D 4.4184 8.3827 117.6526 57.5319 40.8443 179.3046 33 G 3.8620 8.6217 106.5344 47.9309 0.0000 175.4373 34 L 4.1035 8.2141 122.9537 57.6707 41.9902 179.1283 35 K 3.9455 8.1373 118.5177 59.6339 32.0501 179.0025 36 D 4.3641 7.9407 118.7812 57.4390 40.6883 178.8861 37 I 3.7701 8.0827 120.4822 64.4913 37.0515 178.5523 38 L 4.0749 8.4889 120.1926 57.7453 41.4498 179.6381 39 R 3.9209 8.3121 118.3448 59.4008 30.0028 178.7631 40 D 4.3441 8.1402 118.3750 57.5912 41.0046 179.0164 41 I 3.9880 8.3080 121.4716 63.6359 36.9833 178.2555 42 A 3.9498 8.2712 121.8411 55.5810 18.2862 179.6696 43 T 3.9038 7.7818 113.9309 67.1383 68.5049 176.9258 44 Q 4.1519 8.6358 119.7962 58.0625 28.3480 177.6048 45 N 5.0423 7.6657 115.4461 52.3529 38.9726 175.0906 46 G 3.9276 7.9373 107.6230 46.3360 0.0000 173.7625 47 L 4.7213 7.8797 118.4983 52.5787 44.4798 175.5802 48 E 4.3720 8.5782 122.6527 54.7413 31.3204 174.8584 49 L 4.4279 8.4742 130.0958 54.1135 41.1660 176.0509 50 V 3.8556 8.7205 126.9430 65.5727 32.2211 175.7584 51 A 4.6824 7.6406 119.1818 50.9655 22.5319 174.9241 52 L 5.1010 8.1981 120.8627 53.5119 45.5380 174.9042 53 E 4.6311 9.4234 123.5427 54.4244 32.9443 174.4825 54 V 4.3877 8.3231 122.9122 61.4998 33.1694 174.9843 55 M 4.2864 8.6180 128.3485 52.8699 33.8319 175.5436 56 P 4.7351 0.0000 0.0000 64.6003 31.6468 177.5337 57 D 5.3447 7.9114 114.7233 52.9072 41.0342 174.8827 58 Y 5.2269 7.5398 115.2971 56.6299 41.9460 173.6272 59 V 4.5713 8.3797 113.4050 59.6709 35.3928 174.6398 60 H 4.9737 8.9862 123.4491 54.6904 32.5788 171.9637 61 L 5.0026 9.0725 126.6059 52.9630 44.5339 175.5130 62 L 5.0419 8.9148 124.5745 53.4051 44.5588 174.8631 63 L 5.0607 9.0486 127.1713 52.9047 44.5965 175.7395 64 G 4.2819 9.0840 111.5195 45.0441 0.0000 172.6180 65 A 5.1187 8.7427 125.7386 50.4811 23.1327 174.8839 66 T 4.0001 8.3339 107.9612 59.0022 71.1375 173.9224 67 P 4.1641 0.0000 0.0000 65.7301 31.3034 178.0258 68 Q 4.0732 7.1999 114.9313 57.6191 28.9635 176.2238 69 H 4.3064 7.8797 116.4680 55.6001 29.3748 175.3195 70 V 4.2174 8.3355 123.2408 60.9503 33.2426 175.8785 71 I 2.0000 8.0037 127.4376 63.8519 37.0253 176.5047 72 P 4.0952 0.0000 0.0000 65.2888 31.0267 178.6008 73 D 4.2452 7.6638 117.7045 57.3138 40.9020 178.5352 74 F 4.3262 7.7933 115.0587 59.4419 37.9361 177.7769 75 V 3.2716 7.5335 119.5095 65.6811 31.1369 177.7944 76 K 3.7076 7.7887 118.9713 59.3066 31.9544 178.4892 77 A 3.9543 8.0499 120.9355 55.1765 18.3621 179.6327 78 L 3.9515 8.1724 117.7702 57.8973 41.7652 180.0504 79 K 3.2232 7.9230 118.8275 59.0016 31.9006 179.8357 80 G 3.5572 8.3164 106.1151 47.9305 0.0000 175.7612 81 A 4.1309 8.2046 124.2706 54.5369 18.2817 179.8828 82 S 4.2026 8.3048 112.8481 61.5228 63.0473 176.6495 83 A 3.5070 8.4151 124.3992 54.7691 18.1669 179.7331 84 R 4.0225 8.0266 116.5222 59.7849 30.1482 179.6649 85 R 4.0515 8.2774 117.7464 59.2751 30.0527 179.0832 86 M 4.1782 8.3034 118.9325 58.4432 31.9428 178.7765 87 F 4.6752 8.1864 118.2016 60.5391 38.7944 177.7741 88 S 4.2083 8.0267 112.0099 61.3708 62.3338 175.7984 89 A 4.0124 8.0267 122.5032 53.4613 19.4791 177.5881 90 F 4.9272 8.4943 116.1152 54.6146 39.7075 173.5606 91 P 4.5809 0.0000 0.0000 64.5877 31.7587 178.5030 92 H 4.3666 8.4218 112.6682 58.0718 28.4560 176.5110 93 L 4.0045 7.8387 119.3979 56.6634 41.5410 177.5581 94 K 4.0754 7.8755 117.9803 56.1978 30.4430 176.1675 95 Q 4.5179 8.1556 122.2292 52.8162 30.3201 174.1005 96 P 4.2603 0.0000 0.0000 65.5310 31.8632 178.3997 97 H 4.0890 8.4966 116.8980 58.5268 29.8533 175.4852 98 W 4.7189 8.2768 117.8184 56.3201 29.3209 176.7842 99 G 4.2323 9.1441 104.5682 46.4439 0.0000 175.3514 100 G 3.9076 8.7712 106.3076 45.1095 0.0000 176.0258 101 N 4.3559 8.7555 124.1276 53.8479 38.0454 174.1200 102 L 3.9314 8.0930 118.4411 52.4648 42.1786 175.6794 103 W 5.5747 8.3109 122.2345 54.3669 33.4687 174.4563 104 N 4.4529 9.0736 118.8645 53.3586 38.6104 173.4072 105 P 4.3981 0.0000 0.0000 65.0648 31.7191 176.5682 106 S 4.5941 8.5143 114.1907 57.8818 63.1817 171.8120 107 Y 5.4027 7.7368 120.4962 54.8559 41.4690 173.5319 108 C 4.5628 9.2788 120.2854 57.2481 34.5682 172.9045 109 V 5.0630 8.2889 124.6163 60.0239 33.8098 174.8287 110 L 5.0019 9.2221 124.6283 53.0249 45.8096 176.2960 111 T 4.5895 8.7070 113.3336 60.7727 70.2053 174.5776 112 V 3.6501 8.3349 122.3027 63.9453 31.5417 175.2206 113 S 4.5934 8.3563 119.1668 57.4795 65.8483 174.9529 114 E 4.0811 8.8499 121.5252 59.3299 29.3302 178.2574 *115 H 4.7662 8.0095 114.6653 54.4332 29.0317 182.0906 116 T 4.1840 7.7083 120.3929 67.7764 68.2096 177.0047 117 R 3.9208 7.9561 121.3589 61.4915 29.4332 180.3758 118 A 4.2042 7.9188 121.4262 54.8614 17.9822 179.5201 119 Q 3.9469 8.3775 116.9509 59.2855 28.7627 179.3094 120 I 3.8302 8.0093 123.1713 64.9757 37.0467 179.1740 121 Q 3.9233 8.1937 121.5935 60.1111 27.9663 179.9630 122 Q 4.1313 8.3487 122.3251 59.2685 29.1521 178.0874 123 Y 4.0565 8.1142 120.1973 60.8719 38.8825 178.1292 124 I 3.4328 7.7887 120.7218 64.3512 36.9276 178.3757 125 E 3.9856 8.1032 118.3940 59.1500 29.3340 178.4884 126 N 4.6665 7.8026 114.4797 53.3807 38.8842 174.9414 127 Q 4.2718 7.1939 120.8509 55.1115 29.7891 175.2019 128 H 4.6864 8.7582 119.9980 55.0247 30.0809 175.4010 129 A 5.4413 8.5288 123.5967 51.2409 19.7053 176.8283 130 A 4.1422 8.2932 128.2540 54.0127 18.4467 178.4862 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 8.30 4.50 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 8.45 4.21 0.00 0.79 1.37 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.15 7.81 3 K 8.44 4.81 0.00 1.98 1.68 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.96 7.81 4 G 8.33 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.95 3.87 0.00 1.76 1.95 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 6 G 10.33 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 0.00 0.00 0.00 7 Y 6.80 4.88 0.00 3.22 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 8 V 8.29 5.08 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 0.89 0.00 0.00 0.92 0.00 0.00 9 Y 8.64 4.98 0.00 3.11 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 10 K 8.51 4.66 0.00 1.66 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.42 7.81 11 L 8.70 4.67 0.00 1.75 1.21 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.46 5.02 0.00 1.67 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 0.00 2.10 2.20 0.00 13 Y 8.78 5.09 0.00 3.01 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 14 H 9.51 5.05 0.00 3.28 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.35 5.36 0.00 1.89 1.63 1.09 1.12 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 16 I 9.29 5.62 1.76 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 0.84 0.56 1.06 0.00 0.00 17 W 8.12 5.69 0.00 3.50 3.29 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 18 A 8.88 5.56 1.41 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 19 T 9.05 4.96 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 1.44 0.00 0.00 20 K 9.45 3.87 0.00 1.87 1.46 0.00 1.84 0.00 0.00 1.50 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.45 7.81 21 Y 8.65 3.98 0.00 3.69 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 22 R 8.10 4.27 0.00 2.07 2.23 0.00 3.32 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 23 H 8.32 4.05 0.00 3.04 2.99 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.17 4.35 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 25 V 7.17 3.94 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 0.23 0.00 0.00 0.83 0.00 0.00 26 L 7.75 4.31 0.00 1.93 1.58 1.18 0.81 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 27 V 6.82 4.61 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 0.73 0.00 0.00 0.83 0.00 0.00 28 D 8.27 4.14 0.00 2.76 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 0.00 0.00 0.00 29 E 8.74 4.12 0.00 2.24 2.25 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 2.33 2.41 0.00 30 V 7.73 2.45 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 0.64 0.00 0.00 0.27 0.00 0.00 31 A 7.65 3.95 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 32 D 8.38 4.42 0.00 2.89 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 33 G 8.62 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 34 L 8.21 4.10 0.00 1.98 1.92 1.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.14 3.95 0.00 2.04 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.67 7.81 36 D 7.94 4.36 0.00 2.85 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 37 I 8.08 3.77 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 1.02 0.00 0.00 38 L 8.49 4.07 0.00 1.74 1.76 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.31 3.92 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 40 D 8.14 4.34 0.00 2.91 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 41 I 8.31 3.99 1.93 0.00 0.00 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 1.45 1.74 0.95 0.00 0.00 42 A 8.27 3.95 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 43 T 7.78 3.90 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 1.22 0.00 0.00 44 Q 8.64 4.15 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 45 N 7.67 5.04 0.00 2.80 2.85 0.00 0.00 7.01 7.13 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 46 G 7.94 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 0.00 0.00 0.00 47 L 7.88 4.72 0.00 1.50 1.37 0.31 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.58 4.37 0.00 2.03 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 2.19 2.21 0.00 49 L 8.47 4.43 0.00 1.65 1.58 0.95 0.99 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 50 V 8.72 3.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 51 A 7.64 4.68 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 52 L 8.20 5.10 0.00 1.52 1.43 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.42 4.63 0.00 1.87 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 2.10 2.13 0.00 54 V 8.32 4.39 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 0.76 0.00 0.00 0.84 0.00 0.00 55 M 8.62 4.29 0.00 1.73 1.09 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 2.08 0.95 0.00 56 P 0.00 4.74 0.00 2.14 2.05 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 57 D 7.91 5.34 0.00 2.81 3.01 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 58 Y 7.54 5.23 0.00 3.23 3.06 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 0.00 0.00 0.00 59 V 8.38 4.57 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -1.07 0.00 0.00 60 H 8.99 4.97 0.00 3.29 3.11 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.07 5.00 0.00 1.64 1.54 0.52 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.91 5.04 0.00 1.57 1.42 0.66 0.51 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 63 L 9.05 5.06 0.00 1.66 1.39 0.96 0.66 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 64 G 9.08 4.28 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 0.00 65 A 8.74 5.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.33 4.00 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 1.30 0.00 0.00 67 P 0.00 4.16 0.00 1.51 1.89 0.00 2.97 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.80 0.00 68 Q 7.20 4.07 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 69 H 7.88 4.31 0.00 3.46 3.59 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.34 4.22 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 1.01 0.00 0.00 0.97 0.00 0.00 71 I 8.00 2.00 1.50 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.12 0.43 0.00 0.00 72 P 0.00 4.10 0.00 2.03 2.03 0.00 3.33 0.00 0.00 3.54 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 D 7.66 4.25 0.00 2.85 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 74 F 7.79 4.33 0.00 3.12 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 75 V 7.53 3.27 1.47 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 -0.06 0.00 0.00 0.23 0.00 0.00 76 K 7.79 3.71 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.39 7.81 77 A 8.05 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.17 3.95 0.00 1.76 1.83 1.14 0.69 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 79 K 7.92 3.22 0.00 1.35 1.36 0.00 0.86 0.00 0.00 1.09 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 G 8.32 3.56 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 0.00 81 A 8.20 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.30 4.20 0.00 4.44 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.42 3.51 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 84 R 8.03 4.02 0.00 2.16 2.07 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 85 R 8.28 4.05 0.00 1.97 2.01 0.00 3.17 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 86 M 8.30 4.18 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 87 F 8.19 4.68 0.00 3.23 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 88 S 8.03 4.21 0.00 3.93 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 89 A 8.03 4.01 0.81 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 0.00 0.00 90 F 8.49 4.93 0.00 3.16 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 91 P 0.00 4.58 0.00 2.23 2.15 0.00 3.97 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 92 H 8.42 4.37 0.00 3.33 3.51 0.00 5.53 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 93 L 7.84 4.00 0.00 1.94 1.82 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.88 4.08 0.00 1.82 1.64 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.66 1.29 7.81 95 Q 8.16 4.52 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 96 P 0.00 4.26 0.00 2.20 2.14 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 97 H 8.50 4.09 0.00 3.04 3.42 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.28 4.72 0.00 3.67 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 99 G 9.14 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 0.00 0.00 0.00 0.00 100 G 8.77 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.76 4.36 0.00 2.93 2.87 0.00 0.00 6.89 7.12 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 0.00 102 L 8.09 3.93 0.00 0.61 0.28 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.31 5.57 0.00 3.21 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 0.00 104 N 9.07 4.45 0.00 2.93 3.15 0.00 0.00 7.22 8.25 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 0.00 105 P 0.00 4.40 0.00 2.26 2.21 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 106 S 8.51 4.59 0.00 3.91 4.06 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 0.00 0.00 0.00 107 Y 7.74 5.40 0.00 3.11 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 0.00 108 C 9.28 4.56 0.00 1.23 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 0.00 0.00 0.00 109 V 8.29 5.06 2.28 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 0.88 0.00 0.00 1.00 0.00 0.00 110 L 9.22 5.00 0.00 1.59 1.56 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.71 4.59 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 1.36 0.00 0.00 112 V 8.33 3.65 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 0.86 0.00 0.00 0.99 0.00 0.00 113 S 8.36 4.59 0.00 4.05 3.94 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 0.00 114 E 8.85 4.08 0.00 2.24 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 0.00 2.31 1.87 0.00 *115 H 8.01 4.77 0.00 2.86 3.03 0.00 7.23 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.71 4.18 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 0.94 0.00 0.00 117 R 7.96 3.92 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 118 A 7.92 4.20 1.35 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 0.00 119 Q 8.38 3.95 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 120 I 8.01 3.83 1.96 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.82 0.00 0.00 121 Q 8.19 3.92 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 122 Q 8.35 4.13 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 123 Y 8.11 4.06 0.00 3.06 3.10 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 0.00 124 I 7.79 3.43 1.57 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 -0.36 0.69 0.00 0.00 125 E 8.10 3.99 0.00 2.39 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 0.00 2.35 2.22 0.00 126 N 7.80 4.67 0.00 2.75 2.82 0.00 0.00 7.01 7.16 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 0.00 127 Q 7.19 4.27 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 128 H 8.76 4.69 0.00 3.27 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.53 5.44 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 0.00 130 A 8.29 4.14 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 * Residues marked with a * may have inaccurate shift predictions.