NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4928 8.1927 115.3077 57.7420 62.7027 173.7565 3 L 3.6158 8.4968 130.9623 57.1633 41.7603 177.0273 4 R 3.5402 8.1595 118.7740 59.2639 30.4397 177.3781 5 S 4.0147 7.7075 113.1544 60.8616 62.3545 175.3830 6 D 4.4422 8.7178 124.1420 58.5904 40.7052 179.6492 7 L 3.9323 7.9798 122.2875 59.3189 40.6041 180.7368 8 I 3.7528 7.6599 120.5333 64.5143 37.3339 177.6558 9 N 4.3526 8.2796 115.5704 56.7810 38.5530 177.0724 10 A 4.1244 7.9715 120.1422 53.6202 18.7161 177.8726 11 L 4.2221 7.4663 118.1733 54.7539 42.2925 176.9377 *18 Y 4.0627 8.1982 121.1365 57.7140 39.2996 174.2026 19 D 5.1805 8.5026 121.9282 53.2686 42.5627 176.3482 20 V 4.6012 8.2955 122.6783 59.5081 35.8248 171.0103 21 C 4.6120 8.3591 116.4134 55.9267 30.7302 173.0282 22 G 4.0271 7.1190 106.0580 46.7332 0.0000 172.5163 23 I 4.6771 8.3021 120.7312 59.3280 39.9596 174.9170 24 I 5.0800 8.2731 125.7997 59.2655 40.0881 175.3641 25 S 4.6016 9.5092 123.8716 57.0562 64.4578 175.0084 26 A 3.9636 8.6357 124.2717 55.6323 18.1735 178.7391 27 E 4.1740 8.1426 114.2453 56.4583 29.0324 178.7219 28 G 4.0170 8.1314 105.0468 45.2941 0.0000 174.9272 29 K 4.3639 7.5224 119.6436 56.4704 33.6988 176.0140 30 I 4.9489 8.3840 122.9057 59.8743 40.6003 174.0377 31 Y 4.9651 9.2405 125.7915 55.6164 39.4594 173.6030 32 P 4.6234 0.0000 0.0000 62.7729 32.1196 178.0613 33 L 4.0972 7.4612 120.5669 54.8049 41.4357 176.9675 *41 S 4.4615 8.5202 111.8568 59.1365 65.0291 175.8041 42 T 4.0389 7.6358 118.1551 66.3005 68.3443 176.3887 43 I 3.3639 7.4409 121.2700 64.5728 37.1040 178.2071 44 F 4.3461 7.5021 117.7025 60.3487 38.7226 176.9466 45 E 4.0997 7.7881 119.0365 59.5969 29.2437 178.8113 46 L 4.0528 7.9482 118.8414 58.1124 40.7464 178.7129 47 F 4.8396 8.3605 118.0765 60.6771 38.9027 177.9004 48 S 4.3252 8.6275 114.8342 61.7289 62.7122 176.3086 49 R 3.9017 7.9731 121.1370 59.3133 29.9068 176.2713 50 P 4.3099 0.0000 0.0000 66.0479 30.8987 178.3770 51 I 3.6849 7.3209 118.4255 64.1497 36.9736 178.1743 52 I 3.5809 8.1483 120.9412 64.7333 36.9034 178.2627 53 N 4.3904 8.1922 117.2341 56.0660 38.1850 177.7252 54 K 4.0730 7.7649 118.8218 59.7408 32.8998 179.0943 55 I 3.9173 7.5199 120.7542 64.0261 37.1123 177.9903 56 A 4.0381 7.7586 121.7837 55.1187 17.9944 179.4655 57 E 4.0332 8.1620 114.8883 58.7797 29.7849 178.3383 58 K 4.3232 7.7562 118.6747 57.4994 32.5191 176.2873 59 H 4.8354 8.7669 113.2240 55.6187 30.8521 174.1918 60 G 3.8978 8.7699 106.9888 45.5071 0.0000 172.2689 61 Y 4.6581 7.8871 115.8032 55.9996 40.0436 174.9494 62 I 4.2078 8.4896 123.9371 59.7245 39.7971 174.8634 63 V 4.8695 8.0723 128.1760 61.3458 33.8444 174.5914 64 E 4.6819 8.4377 123.6082 55.5550 32.9806 174.6026 65 E 4.7066 8.6106 126.4959 53.7308 31.7446 173.7975 66 P 4.5122 0.0000 0.0000 62.9616 32.3130 177.0528 67 K 4.4620 8.3025 122.6024 54.7091 31.9955 177.6825 68 Q 4.5998 7.3880 117.5223 55.3901 31.5641 178.5858 69 Q 4.0873 8.6318 119.7266 57.1852 29.2695 177.6376 70 N 4.3625 8.7563 115.4179 53.5300 34.4406 174.3037 71 H 5.0549 7.7096 115.1458 54.2080 33.0598 173.0468 72 Y 4.4807 8.7161 126.5694 56.3909 39.9968 172.5591 73 P 4.5462 0.0000 0.0000 60.3955 33.8688 174.1228 74 D 4.4183 8.5918 118.2042 57.1724 42.0175 177.2686 75 F 5.0681 8.2238 116.9338 56.2090 43.3028 173.9884 76 T 5.1542 8.9570 120.6122 61.8220 71.1063 173.5870 77 L 5.3759 8.8387 125.5167 53.3551 45.7220 175.1209 78 Y 5.0933 8.3554 119.1108 56.0793 42.0663 173.4080 79 K 4.4380 8.3748 120.2490 54.6552 32.9358 175.9858 80 P 4.6334 0.0000 0.0000 65.6792 31.4048 177.5788 81 S 4.3615 7.9449 110.3727 59.5740 63.4877 174.2273 82 E 4.5501 8.1387 121.1104 53.6842 29.6201 173.3625 83 P 4.0285 0.0000 0.0000 64.8935 32.0376 177.3323 84 N 4.6802 7.9740 117.5757 53.8264 39.2217 176.2770 85 K 4.6964 7.4362 117.6348 53.9806 31.4853 178.6611 86 K 4.6612 8.4296 123.5561 55.3504 35.0049 177.6353 87 I 4.6305 8.4476 123.6636 59.4228 39.9092 174.4344 88 A 5.2163 8.2417 127.2299 50.2141 21.7087 175.3991 89 I 5.1354 8.4462 121.3403 59.5360 41.7811 174.1233 90 D 4.9407 8.8154 123.8750 52.6436 44.5007 174.2617 91 I 4.6596 9.1491 127.6566 60.6703 37.9650 175.4155 92 K 4.8950 9.3770 127.1251 54.5507 35.2485 175.4127 93 A 5.4789 8.7372 124.4532 51.3801 22.5853 175.2510 94 T 4.4880 9.2923 116.0758 61.3852 71.1095 171.5835 95 Y 4.9726 8.4258 117.4131 56.2680 41.3800 174.2853 96 T 4.4003 8.1479 111.4145 60.9857 72.5863 173.2142 *99 E 3.8787 8.7721 117.3915 56.4932 30.0841 166.7976 100 N 4.2038 8.6373 129.7134 51.7370 40.8483 173.7842 101 E 5.0507 7.9233 122.2969 57.2757 32.3630 176.4955 102 K 4.0682 8.5914 121.8940 56.1451 33.1293 176.9384 *104 K 4.8788 8.1196 119.7474 55.0341 32.4903 174.0775 105 F 5.0934 9.4852 123.5553 54.9548 42.7198 174.2318 106 T 4.9569 8.7502 112.9272 60.7970 70.2798 173.8594 107 L 4.6021 8.9825 126.9045 53.2803 42.2466 179.0696 108 G 3.7519 8.6799 116.1782 46.2751 0.0000 170.3470 109 G 4.2344 8.5985 113.0008 44.7373 0.0000 172.0602 *110 Y 4.2480 8.2020 119.3500 56.4787 37.2622 175.9904 111 T 4.5149 7.5552 118.9649 65.3174 72.1979 175.3956 112 S 4.5736 7.3354 116.0488 57.5747 61.4949 177.2826 113 F 4.2411 9.0851 118.8806 59.5569 37.3445 177.1602 114 I 2.4093 6.5151 122.4424 62.8528 37.8927 176.8319 115 R 4.3168 7.6202 118.4761 56.6779 31.2695 180.9933 116 N 4.6494 8.4491 112.1926 54.8849 39.0607 179.1818 117 N 5.1686 8.8073 120.2687 54.0688 39.1112 176.2515 118 T 4.6616 7.7849 108.0214 60.8065 69.2182 176.4282 119 K 4.6843 7.6786 122.8867 54.9096 34.7511 180.6126 120 N 4.3843 8.9089 117.1484 53.4553 36.3310 173.5220 121 I 4.9750 7.0347 115.8809 58.9873 41.3421 175.7073 122 V 3.5832 8.7836 124.7780 65.6397 31.5142 175.9190 123 Y 4.7520 7.8746 115.1646 54.9645 40.6859 173.9730 124 P 5.2634 0.0000 0.0000 62.4756 31.9511 177.8222 125 F 4.0425 9.2653 125.7812 61.4643 39.5786 176.2435 126 D 4.8595 9.0940 117.7445 54.0443 39.3616 176.6768 127 Q 4.2536 8.9757 120.0068 56.8764 29.6624 174.7929 128 Y 5.2008 8.1364 116.2352 56.7464 37.9081 175.0041 129 I 4.4091 8.1431 117.7161 60.5737 38.8510 175.2339 130 A 4.6762 7.3572 122.1235 51.7813 22.6426 175.2320 131 H 5.3092 8.7918 116.8182 53.9817 33.2485 172.6790 132 W 5.9592 9.4203 121.8078 55.1853 34.1790 174.1311 133 I 5.1242 8.6294 120.2718 59.9724 41.2306 174.6755 134 I 4.3270 9.0329 128.0529 59.5814 39.0214 174.7086 135 G 3.0126 7.6257 115.6321 43.9085 0.0000 171.3633 136 Y 5.4831 8.2985 121.1060 55.0244 41.4162 175.1021 137 V 4.7245 8.2247 117.2083 59.9528 34.5544 174.2706 138 Y 5.0622 7.7300 127.0363 55.5412 41.7221 173.9581 139 T 5.6065 8.6843 117.1882 62.7255 72.7339 175.4155 140 R 4.8455 8.8560 127.5877 58.6443 31.3474 171.5618 141 V 4.1392 8.5379 122.9220 64.8403 37.9063 175.5710 *149 K 3.9869 9.1125 112.6032 56.3116 33.4443 173.3387 150 T 4.6957 7.8723 112.8803 60.6773 71.5215 172.7658 151 Y 4.8745 8.6156 119.2258 56.5247 42.8555 173.4579 152 N 5.2257 8.5053 115.8228 51.3905 40.9809 175.0581 153 I 3.6870 8.6699 118.3769 64.0445 38.0076 176.2714 154 N 4.5633 8.3776 118.7080 56.1348 39.1301 176.8599 155 E 4.2057 9.3544 114.0650 57.9055 29.8400 181.2058 156 L 3.8803 8.0073 121.6395 59.6252 42.5822 179.6592 157 N 4.3714 8.3034 117.1771 55.9055 37.6448 179.0077 158 E 4.1574 8.5078 113.6794 57.3010 29.9244 178.7777 159 I 3.2557 6.9190 117.3947 60.9568 36.6805 174.3096 160 P 4.2045 0.0000 0.0000 62.7690 31.6724 177.7010 161 K 4.1535 8.3557 124.3239 53.8425 32.4329 172.5985 162 P 4.4712 0.0000 0.0000 65.2474 31.9777 176.3635 163 Y 5.0210 7.0284 117.5240 55.7627 40.6622 175.5828 164 K 4.3257 9.8294 127.2779 54.2964 31.0903 173.3017 165 G 4.3084 9.3872 115.3331 44.8854 0.0000 171.0572 166 V 4.6166 8.0025 120.6125 61.0065 34.7022 174.1805 167 K 4.6748 8.7061 126.3530 54.4216 35.5890 175.4382 168 V 5.1311 8.1701 120.8920 59.1548 34.4896 174.2996 169 F 4.9645 7.5080 115.8987 55.8096 41.4482 172.3481 170 L 5.5769 8.0396 120.2828 52.5427 45.1390 175.0186 171 Q 4.4488 8.2019 123.0889 55.3051 32.3116 173.0491 172 D 5.7127 8.5136 123.1799 53.6388 41.9894 176.7811 173 K 4.1440 8.7455 121.9755 59.1376 32.5000 179.1842 174 W 3.0259 7.7721 114.8703 58.5961 28.6873 177.5629 175 V 2.9761 6.8234 118.9201 64.4798 31.1846 174.6112 176 I 4.9320 6.7400 111.4946 57.5659 36.9219 173.8711 177 A 4.8672 7.7823 127.8335 52.4280 23.2958 174.9632 178 G 3.8479 9.1026 114.0267 45.6648 0.0000 174.5786 179 D 4.1905 9.5091 120.9702 56.3240 41.6565 176.7641 180 L 5.0524 8.0683 115.7561 53.8347 45.1505 176.2632 181 A 4.4194 8.6653 120.3085 53.4869 19.0949 175.8367 182 G 3.1436 8.8561 110.2609 46.4642 0.0000 174.7470 *188 N 5.2951 7.6006 119.3082 52.6051 41.0755 177.8331 189 I 4.0334 8.0040 119.1314 61.5627 40.2733 175.1323 190 G 4.1636 8.9397 118.0109 46.5182 0.0000 172.7144 191 S 5.4973 8.8502 121.6222 58.2775 66.1073 173.0976 192 I 4.2095 8.6344 115.7241 61.5033 40.1117 175.9354 *193 H 4.9929 8.6661 118.0800 52.2816 28.3944 169.5148 194 A 4.7365 8.1648 129.9735 50.9185 22.4128 175.2702 *195 H 4.8457 8.6420 113.9306 53.8623 29.3793 170.5448 196 Y 4.3790 8.4087 129.0782 57.6252 39.5033 176.9299 *198 D 4.4180 8.0340 123.2039 54.5804 42.4526 178.5106 199 F 3.6084 7.3615 117.1817 60.5819 38.8473 178.5566 200 V 3.5403 6.6900 111.7105 63.6411 31.2969 177.0604 201 E 4.0880 7.1008 114.6442 56.2262 29.9811 175.6975 202 G 4.0182 7.7089 108.6422 46.5024 0.0000 175.9196 203 K 4.5478 5.8896 119.0965 56.6196 28.4489 174.1713 204 G 4.6906 7.7531 109.6202 42.7591 0.0000 169.8924 205 I 4.0898 7.9157 110.3571 61.4022 38.8438 176.2366 206 F 4.8507 7.8667 119.3714 57.4059 39.4192 175.2705 207 D 4.6758 9.3824 124.2250 56.3957 41.2469 176.6147 208 S 3.9088 7.5052 112.7241 56.5441 66.1870 175.6126 209 E 3.7198 6.7060 120.1050 57.6175 29.2040 177.4547 210 D 4.3551 8.0970 119.1710 57.3517 40.9603 178.1025 211 E 3.9895 7.9741 118.6599 58.8057 29.6010 178.0561 212 F 3.0244 8.0369 120.9534 61.0241 39.4735 177.0637 213 L 3.8058 7.6237 118.2719 56.9247 42.4704 176.8605 214 D 5.0293 7.9466 119.1873 51.3291 38.4694 173.5530 215 Y 4.2724 6.9898 131.8177 57.8186 41.5321 174.4598 216 W 4.5537 7.6364 115.7104 57.8242 29.7302 176.8242 217 R 4.0553 7.7048 122.5418 56.3205 29.4974 176.1514 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 2 S 8.19 4.49 0.00 3.91 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 3 L 8.50 3.62 0.00 1.73 1.68 0.59 0.32 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 4 R 8.16 3.54 0.00 1.78 1.73 0.00 3.01 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 5 S 7.71 4.01 0.00 3.88 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 6 D 8.72 4.44 0.00 2.62 2.68 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 0.00 0.00 0.00 7 L 7.98 3.93 0.00 1.65 1.64 0.92 0.75 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 8 I 7.66 3.75 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.82 0.00 0.00 9 N 8.28 4.35 0.00 2.80 2.89 0.00 0.00 7.10 7.36 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 10 A 7.97 4.12 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 11 L 7.47 4.22 0.00 1.73 1.56 0.79 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 *18 Y 8.20 4.06 0.00 3.04 3.20 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 19 D 8.50 5.18 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.60 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 0.81 0.00 0.00 0.93 0.00 0.00 21 C 8.36 4.61 0.00 2.88 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 22 G 7.12 4.03 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 0.00 0.00 0.00 23 I 8.30 4.68 1.90 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 1.05 0.43 0.90 0.00 0.00 24 I 8.27 5.08 1.89 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 1.43 1.14 0.92 0.00 0.00 25 S 9.51 4.60 0.00 4.15 4.24 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 26 A 8.64 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.14 4.17 0.00 2.07 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 2.31 2.30 0.00 28 G 8.13 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 0.00 0.00 0.00 29 K 7.52 4.36 0.00 1.65 1.46 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.38 7.81 30 I 8.38 4.95 1.88 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 1.23 0.85 0.95 0.00 0.00 31 Y 9.24 4.97 0.00 2.89 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 32 P 0.00 4.62 0.00 2.06 2.00 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 33 L 7.46 4.10 0.00 1.57 1.57 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *41 S 8.52 4.46 0.00 4.13 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 42 T 7.64 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 1.15 0.00 0.00 43 I 7.44 3.36 1.41 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.08 0.34 0.00 0.00 44 F 7.50 4.35 0.00 2.94 2.45 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 45 E 7.79 4.10 0.00 2.29 2.02 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 2.37 2.52 0.00 46 L 7.95 4.05 0.00 1.61 1.83 0.83 0.79 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 47 F 8.36 4.84 0.00 3.41 3.22 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 48 S 8.63 4.33 0.00 4.04 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 49 R 7.97 3.90 0.00 2.22 2.12 0.00 3.21 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 50 P 0.00 4.31 0.00 2.35 2.36 0.00 3.84 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 2.37 2.20 0.00 51 I 7.32 3.68 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.90 0.00 0.00 52 I 8.15 3.58 1.48 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.55 0.00 0.00 53 N 8.19 4.39 0.00 2.77 2.88 0.00 0.00 6.82 6.86 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 54 K 7.76 4.07 0.00 1.92 2.09 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 55 I 7.52 3.92 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.82 0.00 0.00 56 A 7.76 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.16 4.03 0.00 2.17 2.22 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 2.51 2.34 0.00 58 K 7.76 4.32 0.00 1.96 2.19 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 59 H 8.77 4.84 0.00 3.39 3.69 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.77 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 61 Y 7.89 4.66 0.00 2.74 2.79 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 0.00 0.00 0.00 0.00 62 I 8.49 4.21 1.66 0.00 0.00 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 0.85 1.29 0.07 0.00 0.00 63 V 8.07 4.87 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 133 I 8.63 5.12 1.90 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 1.29 1.04 0.70 0.00 0.00 134 I 9.03 4.33 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.34 0.00 0.00 135 G 7.63 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 0.00 0.00 0.00 136 Y 8.30 5.48 0.00 2.29 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 0.00 0.00 0.00 137 V 8.22 4.72 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 0.86 0.00 0.00 0.86 0.00 0.00 138 Y 7.73 5.06 0.00 3.11 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 0.00 139 T 8.68 5.61 4.60 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 1.33 0.00 0.00 140 R 8.86 4.85 0.00 1.60 1.77 0.00 3.30 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 141 V 8.54 4.14 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 0.86 0.00 0.00 1.00 0.00 0.00 *149 K 9.11 3.99 0.00 1.69 1.55 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.28 7.81 150 T 7.87 4.70 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 0.19 0.00 0.00 151 Y 8.62 4.87 0.00 2.83 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 0.00 152 N 8.51 5.23 0.00 2.69 2.86 0.00 0.00 5.58 7.45 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 0.00 153 I 8.67 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.91 0.00 0.00 154 N 8.38 4.56 0.00 2.74 2.86 0.00 0.00 6.80 7.66 0.00 0.00 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 E 9.35 4.21 0.00 1.84 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 2.24 2.12 0.00 156 L 8.01 3.88 0.00 1.98 1.68 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.30 4.37 0.00 2.78 2.72 0.00 0.00 6.54 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.51 4.16 0.00 1.93 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 2.26 2.15 0.00 159 I 6.92 3.26 1.61 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.91 0.47 0.00 0.00 160 P 0.00 4.20 0.00 1.99 1.97 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 161 K 8.36 4.15 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 162 P 0.00 4.47 0.00 1.74 1.85 0.00 3.19 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.17 0.00 163 Y 7.03 5.02 0.00 3.32 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 0.00 164 K 9.83 4.33 0.00 1.71 1.69 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.25 7.81 165 G 9.39 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.00 4.62 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 0.56 0.00 0.00 0.51 0.00 0.00 167 K 8.71 4.67 0.00 1.15 0.74 0.00 1.35 0.00 0.00 0.69 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.04 1.09 7.81 168 V 8.17 5.13 1.52 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 0.71 0.00 0.00 -0.08 0.00 0.00 169 F 7.51 4.96 0.00 2.98 3.24 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 0.00 170 L 8.04 5.58 0.00 1.40 1.29 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.20 4.45 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 172 D 8.51 5.71 0.00 2.39 2.67 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 0.00 173 K 8.75 4.14 0.00 1.94 1.77 0.00 1.96 0.00 0.00 2.06 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.56 7.81 174 W 7.77 3.03 0.00 3.20 2.60 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 0.00 175 V 6.82 2.98 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.54 0.00 0.00 176 I 6.74 4.93 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.59 0.00 0.00 177 A 7.78 4.87 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 9.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 9.51 4.19 0.00 2.68 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 0.00 180 L 8.07 5.05 0.00 1.64 1.37 0.92 0.71 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 0.00 181 A 8.67 4.42 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 0.00 182 G 8.86 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 0.00 0.00 0.00 *188 N 7.60 5.30 0.00 2.55 2.56 0.00 0.00 6.76 7.72 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 0.00 189 I 8.00 4.03 1.01 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.29 0.72 0.00 0.00 190 G 8.94 4.16 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 0.00 191 S 8.85 5.50 0.00 4.24 4.11 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 0.00 0.00 0.00 192 I 8.63 4.21 1.73 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.15 0.80 0.00 0.00 *193 H 8.67 4.99 0.00 2.90 2.87 0.00 7.14 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.16 4.74 1.03 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 0.00 0.00 *195 H 8.64 4.85 0.00 2.87 2.95 0.00 7.25 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 8.41 4.38 0.00 3.08 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 *198 D 8.03 4.42 0.00 2.78 2.34 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 0.00 199 F 7.36 3.61 0.00 2.13 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 0.00 0.00 0.00 0.00 200 V 6.69 3.54 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 -0.05 0.00 0.00 0.61 0.00 0.00 201 E 7.10 4.09 0.00 1.88 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 2.13 2.27 0.00 202 G 7.71 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 0.00 0.00 0.00 203 K 5.89 4.55 0.00 1.74 1.62 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 204 G 7.75 4.69 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 0.00 0.00 0.00 205 I 7.92 4.09 1.62 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.11 0.75 0.00 0.00 206 F 7.87 4.85 0.00 3.39 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 0.00 207 D 9.38 4.68 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 7.51 3.91 0.00 3.68 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 E 6.71 3.72 0.00 1.16 1.44 0.00 0.00 0.00 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 2.21 0.00 210 D 8.10 4.36 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 7.97 3.99 0.00 2.03 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 0.00 2.47 2.46 0.00 212 F 8.04 3.02 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.62 3.81 0.00 1.68 1.64 1.07 0.95 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 0.00 214 D 7.95 5.03 0.00 2.63 2.67 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 0.00 215 Y 6.99 4.27 0.00 3.03 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 0.00 216 W 7.64 4.55 0.00 3.08 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 0.00 217 R 7.70 4.06 0.00 1.88 1.75 0.00 3.13 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.