NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8178 8.1476 120.6141 55.4750 34.2833 173.8000 2 K 4.9930 8.4844 121.3992 54.8022 36.5890 173.6469 3 I 5.1150 9.9874 123.6282 59.8517 41.7757 175.1027 4 D 5.6162 8.9477 126.2426 51.7662 44.3371 174.8677 5 Y 4.9442 8.3722 119.8003 56.1350 40.9462 174.8555 6 L 4.9542 8.6170 127.0475 54.9445 41.7831 175.7162 7 T 5.0088 8.7333 118.1189 60.4192 71.3393 174.0300 8 L 4.4521 8.5370 124.1033 54.9696 42.7443 177.5325 9 F 5.8566 8.8748 117.5571 54.3550 39.5514 173.7614 10 P 4.5113 0.0000 0.0000 65.0731 32.2084 179.4569 11 E 4.2975 8.3319 119.5090 59.2187 29.2611 178.6206 12 M 3.9989 7.9868 118.4125 58.1548 32.2640 178.0958 13 F 4.2222 8.2983 117.0291 59.0127 39.3790 177.4950 14 D 4.5087 8.2079 119.6082 57.4818 40.3844 178.8242 15 G 3.7948 8.1186 105.4218 47.8760 0.0000 175.5920 16 V 3.5470 7.5763 118.8338 65.5761 31.9007 177.2662 17 L 4.1384 8.0831 117.7312 58.6419 41.3248 178.3004 18 N 4.5851 7.8979 114.5033 55.2229 38.7173 176.5476 19 H 4.2672 7.9240 120.1675 57.5961 29.0489 176.0397 20 S 4.6518 7.5390 114.7236 56.6387 64.4881 175.1509 21 I 4.1940 7.9708 119.6763 61.1149 36.7530 177.0385 22 M 4.2658 9.3498 121.4376 57.5603 32.4253 176.7151 23 K 4.1329 8.0512 117.7482 58.3913 31.9072 178.7652 24 R 3.8693 8.0855 117.9088 59.6813 29.9535 178.0057 25 A 4.2279 7.7357 118.5087 54.7709 18.3987 179.5956 26 Q 4.1563 8.0080 115.4906 59.4200 28.9796 178.5626 27 E 4.2187 8.0171 117.8789 58.6211 29.7344 177.2216 28 N 4.6635 7.7390 115.7472 52.7699 38.4498 174.7163 29 N 4.0643 8.3588 113.2182 54.3255 37.7757 175.1195 30 K 4.2058 7.9998 117.4481 58.6724 32.2920 177.0963 31 L 5.5959 7.3732 115.3615 54.4477 43.9068 175.5275 32 Q 4.5115 8.6989 118.5521 54.5236 31.5498 174.7515 33 I 4.8325 8.5523 126.1377 59.5286 38.1976 174.4154 34 N 5.1373 8.9024 125.3611 51.7067 42.6108 172.9172 35 T 4.5265 8.4883 118.5349 61.2387 69.1079 173.8286 36 V 4.4141 8.6662 127.4680 61.0117 34.8537 174.1251 37 N 4.8687 8.8482 126.8829 52.7309 38.8174 175.1409 38 F 4.8293 8.8343 128.8375 60.8466 39.4118 176.1718 39 R 3.9922 8.0971 116.9034 57.8783 29.6879 177.1086 40 D 4.2241 7.6541 116.6424 56.4689 41.0002 176.1133 41 Y 4.4751 7.1244 114.8699 57.4007 38.9940 176.0301 42 A 3.9279 6.9904 122.7377 51.9914 19.0505 176.8013 *44 N 4.4127 8.3146 116.5388 53.1182 39.4931 175.2211 45 K 4.0766 7.9470 121.6654 59.2841 32.6869 175.5896 46 H 4.7702 7.3295 114.0773 54.3022 30.4780 175.7881 47 N 4.6558 8.5429 122.3287 53.2966 37.5636 174.7810 48 Q 4.6841 7.6180 116.0557 54.5056 31.8694 176.6750 49 V 4.1377 8.1400 112.4215 61.2639 33.0915 174.5979 50 D 5.1319 7.5771 120.2232 52.8455 43.4687 174.3784 51 D 4.2622 8.2751 121.8316 53.2221 45.3489 174.1875 52 Y 4.6289 8.0626 119.9089 57.2488 38.9816 174.2048 53 P 4.4941 0.0000 0.0000 62.0777 32.4631 175.4734 54 Y 4.4244 8.3709 121.1357 59.4581 38.3144 176.5184 55 G 3.9051 8.7961 112.5593 44.7268 0.0000 174.3828 56 G 3.9936 7.3496 104.0914 44.6736 0.0000 172.6072 57 G 4.3778 7.7076 108.7237 44.3965 0.0000 172.7671 58 Q 4.1063 8.2817 121.0611 56.9220 29.4545 175.5538 59 G 4.1175 7.8426 105.5239 44.3995 0.0000 171.9570 60 M 4.6047 8.3848 117.9140 53.7290 34.9107 175.7838 61 V 4.6328 8.4711 120.3618 60.6079 35.0563 174.4983 62 L 4.0812 8.4290 130.4072 54.8212 42.7022 176.4807 63 K 4.2903 8.6402 126.9882 56.0549 32.4559 176.3681 64 P 4.5671 0.0000 0.0000 66.2193 31.4896 178.2773 65 E 3.9387 8.3073 118.3184 58.9218 29.2978 177.4702 66 P 4.2967 0.0000 0.0000 65.7147 31.4642 178.8121 67 V 3.7215 8.0330 116.3261 66.2045 31.6606 177.8069 68 F 3.8607 8.6903 117.5578 60.6007 38.6639 177.4692 69 N 4.3550 8.5534 115.9340 56.2299 38.3191 177.2555 70 A 2.9086 7.6795 123.7381 54.5522 18.5014 179.6790 71 M 3.9890 7.9299 116.9418 58.2102 31.9026 178.7140 72 E 3.9658 7.9155 119.1177 59.5202 29.2979 179.0443 73 D 4.4740 8.0820 117.7786 55.8064 39.8355 177.6085 74 L 4.3540 7.6873 117.9075 54.4937 41.5921 176.1648 75 D 4.4073 8.0324 117.6617 54.5979 39.0092 174.1210 76 V 3.5673 7.5017 118.3585 62.2971 31.3360 176.0773 77 T 4.2894 8.2064 115.4417 60.0686 70.2694 173.4204 78 E 4.2168 8.2942 121.5609 57.6467 29.6326 176.8427 79 Q 4.1063 9.1189 123.8225 55.3619 27.8946 172.1705 80 A 4.7110 7.4434 117.4779 51.1958 20.9146 177.1069 81 R 4.3287 8.7400 120.0497 54.6032 32.3828 175.6059 82 V 4.4116 8.4336 124.4967 61.2133 33.7812 174.1223 83 I 4.8088 8.5404 129.6212 59.3113 39.8961 174.3513 84 L 4.8146 8.3217 128.8723 53.4207 44.0846 175.3108 85 M 4.8987 7.9467 124.7399 54.1436 32.8045 174.6729 *87 P 4.4183 0.0000 0.0000 62.6959 33.3737 178.1914 88 Q 4.3151 8.0725 112.3121 56.3218 28.8180 175.8650 89 G 3.8638 7.3005 105.2115 45.9519 0.0000 173.6855 90 E 4.2821 8.5310 120.2415 55.6579 30.3631 175.2770 91 P 4.8092 0.0000 0.0000 62.9347 31.7904 176.0316 92 F 4.6267 9.0194 126.2518 58.9333 40.1990 174.0891 93 S 4.3900 7.3325 117.5740 56.0513 66.3042 174.5748 94 H 3.8944 8.6934 119.3145 59.3486 29.5257 176.8720 95 Q 4.0836 8.0128 119.0027 59.2626 28.2135 178.5051 96 K 3.9227 7.5362 120.3209 58.9213 32.2104 178.7124 97 A 4.1235 7.7001 121.4073 55.0338 18.0673 179.6818 98 V 3.4331 7.8369 115.8754 66.1019 31.4018 177.4006 99 E 4.0599 8.0611 118.9049 59.5187 29.4954 178.8945 100 L 4.0712 8.0544 119.1286 57.5558 41.5066 179.2157 101 S 4.3371 7.9985 112.6314 60.3547 62.8539 175.7120 102 K 4.2199 7.5269 120.4401 57.0881 32.6568 177.0798 103 A 4.1668 7.2172 121.3479 52.4138 18.8654 176.9175 104 D 4.7563 8.4617 118.7395 55.1277 42.5271 175.6946 105 H 5.1547 7.6073 117.4665 55.3164 33.5039 172.2138 106 I 4.9257 8.6629 125.8509 59.4268 41.4374 174.3380 107 V 4.6642 8.9039 126.3168 61.0249 34.6833 173.9267 108 F 5.1547 9.1296 126.8740 55.8445 41.3424 174.9932 109 I 3.9715 8.8631 126.3715 61.1376 37.1823 176.4092 110 C 4.4700 8.9672 126.2815 61.8516 29.6268 175.0251 111 G 3.8776 8.3115 105.3895 46.9303 0.0000 172.8326 112 H 4.9693 8.6263 121.4959 54.7263 29.7029 174.4142 113 Y 4.6560 8.3474 119.9863 55.7460 41.2752 176.4054 114 E 4.0162 8.1548 119.4478 58.7743 29.9468 177.2024 115 G 4.1771 7.3581 104.7134 45.4902 0.0000 172.0318 116 Y 5.0421 8.4443 118.3555 55.3749 41.4239 175.1423 117 D 4.4113 8.6272 123.9411 54.5572 41.8162 176.9052 118 E 4.0709 9.2992 126.1827 59.6138 29.5464 179.1028 119 R 4.1772 8.3064 119.4595 58.5941 29.9709 179.0350 120 I 3.7894 8.0491 120.0041 64.3981 36.8800 178.6692 121 R 3.9068 7.8646 117.8632 59.2610 29.7721 178.5852 122 T 4.1182 8.4887 109.9565 64.2791 68.8736 176.1387 123 H 4.5614 8.4053 117.2345 56.0867 29.8074 175.7528 124 L 4.2140 7.4423 118.3721 56.1806 42.7801 177.2333 125 V 3.7078 7.6065 117.8426 63.3060 31.7928 175.4740 126 T 4.4939 8.5008 116.7040 62.2670 70.8291 174.3937 127 D 4.8056 7.7531 120.7003 52.5782 45.8687 173.9823 128 E 5.1006 8.7620 121.1208 54.6627 32.2955 175.0058 129 I 5.0306 8.6883 124.3851 59.7140 41.8347 174.5498 130 S 4.6056 8.8253 120.2400 57.1720 64.9960 174.2085 131 M 4.2176 8.6723 120.9601 54.6757 33.0130 176.5544 132 G 3.7900 6.5173 106.8557 45.0476 0.0000 172.7067 133 D 4.4583 8.3934 118.1846 54.7997 39.3678 176.3660 134 Y 4.4460 6.9989 118.5909 56.7050 38.9618 175.0711 135 V 4.3089 8.2935 114.8480 59.8618 33.3250 175.6255 136 L 4.8196 8.1599 123.8134 53.1579 44.0617 176.8361 137 T 4.0103 8.3649 117.2242 66.2147 68.6813 174.7758 138 G 4.0219 7.4955 107.6567 43.7329 0.0000 173.0314 139 G 4.2771 8.8332 105.0744 43.7871 0.0000 175.5078 140 E 4.0411 7.9196 120.8293 59.2621 29.8657 178.7308 141 L 3.7192 7.6695 119.7158 56.9924 41.6798 177.4334 142 P 4.1669 0.0000 0.0000 65.7235 31.2461 178.4712 143 A 3.7273 7.9323 119.3692 55.2773 18.2034 179.6827 144 M 3.8956 7.9498 117.2403 58.5695 31.9358 179.0744 145 T 3.7976 8.0434 116.2074 67.0618 68.7107 176.6384 146 M 3.7530 8.0537 120.6330 58.4224 31.8293 178.9843 147 T 3.9827 7.8264 116.0259 66.5744 68.6287 175.8078 148 D 4.3270 8.1134 119.6861 57.6342 41.0247 178.3362 149 A 4.1198 7.6948 119.2380 55.2705 18.5680 179.4424 150 I 3.9468 8.0888 118.3210 64.3832 37.1758 178.8016 151 V 3.5806 8.3769 120.1072 66.0482 31.4365 177.9030 152 R 4.1191 7.9152 112.7684 57.4434 29.0045 176.4838 153 L 4.5142 7.3228 119.3121 54.9490 42.8188 176.2766 154 I 3.9420 8.2150 119.5894 61.4122 37.7599 173.9971 155 P 4.5636 0.0000 0.0000 64.5998 29.9068 174.4133 156 G 3.0126 8.4769 118.1826 45.1481 0.0000 171.7688 *170 S 4.2542 7.6634 115.6723 58.3304 63.9950 173.5395 171 D 4.8195 8.8400 120.5435 53.2101 39.3283 177.6237 172 G 4.1076 8.6282 108.6674 45.5969 0.0000 173.4678 173 L 4.7455 7.3257 117.6346 52.1795 44.9121 176.2214 174 L 4.1802 8.0568 120.2763 54.5643 42.0908 177.4352 175 E 4.1710 8.2315 120.0902 55.7459 30.1517 177.0781 176 F 4.4306 8.1457 116.4612 55.6537 38.8069 173.6900 177 P 4.3802 0.0000 0.0000 62.9989 31.8187 175.5795 178 Q 5.0210 8.2111 118.9755 54.4936 31.7906 174.5988 179 Y 4.7959 8.4501 117.0626 56.6936 41.8707 174.3202 180 T 4.7491 8.1686 115.6866 60.1141 70.9882 173.3588 181 R 4.1124 8.3683 121.1415 55.5587 30.5007 175.0317 182 P 4.6529 0.0000 0.0000 61.6388 32.9358 176.2326 183 R 3.9968 8.6312 119.1669 58.5624 30.1910 176.0233 184 E 5.0003 7.9823 116.6151 54.1455 32.3144 174.7188 185 F 4.6538 8.8824 127.9178 57.6031 41.1472 173.6930 186 K 3.6332 9.2993 129.3880 57.3213 30.0915 176.2728 187 G 3.8193 8.5135 103.3741 44.7187 0.0000 173.8511 188 L 4.5382 7.9958 121.0278 53.4526 42.1290 175.2637 189 T 5.1422 8.1585 120.6445 61.6387 70.3166 175.1294 190 V 3.2410 8.3551 126.4471 61.7519 32.5957 173.9974 191 P 3.9009 0.0000 0.0000 63.3836 31.6378 176.7917 192 D 4.2228 8.8748 124.2995 57.5509 40.7452 179.3374 193 V 3.4011 7.3469 118.8786 64.8408 30.8178 178.1548 194 L 3.9654 7.2465 117.9639 56.3052 41.4786 178.1377 195 L 4.5024 7.3833 117.2887 54.5468 42.1273 177.8050 196 S 4.2905 7.7455 114.9976 58.7719 63.3300 175.3202 197 G 3.6484 7.8375 109.3550 46.1335 0.0000 173.5917 198 N 4.6145 7.3844 119.0585 52.2149 39.0945 174.7996 199 H 4.1998 8.5070 126.1464 58.5241 28.9428 177.4447 200 A 3.9992 8.0305 122.3637 55.2442 18.2271 179.2905 201 N 4.3828 8.6768 115.1078 56.2444 38.5433 177.8840 202 I 3.7113 7.8316 121.3439 64.4642 37.2559 178.1744 203 D 4.2773 8.3744 119.7040 57.2553 40.5719 178.7194 204 A 4.0254 8.1477 121.2255 54.9360 18.3963 179.4491 205 W 4.0680 8.4526 126.9628 60.7820 30.7485 178.3764 206 R 3.7205 8.4012 118.1056 59.4242 29.4352 178.5492 207 H 4.0988 8.3134 118.0406 59.1315 29.7644 177.1730 208 E 3.7649 8.2797 120.5994 59.5014 29.2438 179.3071 209 Q 3.5893 7.5461 117.9338 58.7016 28.6239 179.1068 210 K 3.8442 7.9663 119.4509 59.3105 32.0032 179.3388 211 L 3.6994 7.5776 118.9941 57.8191 41.5407 179.6796 212 I 3.3115 7.6336 119.8855 64.3395 36.8623 178.8052 213 R 3.8640 8.1095 119.2494 59.4930 29.8604 179.3063 214 T 3.8013 7.7981 115.5856 66.6340 68.1930 176.0390 215 Y 4.0224 8.0533 120.7459 60.9661 38.9106 177.7509 216 N 4.5367 8.4098 116.1374 55.3704 38.7931 176.6713 217 K 4.5169 8.2684 117.6880 56.0482 35.3393 176.7675 218 R 4.6807 8.3548 118.2052 52.9194 31.1140 174.1634 219 P 4.1697 0.0000 0.0000 65.9569 31.2403 178.0874 220 D 4.3763 8.0162 117.8214 56.4980 39.3951 178.2010 221 L 4.1664 8.1112 120.3955 57.3216 41.5711 179.5294 222 I 3.7381 7.5705 119.5745 64.4999 36.9790 178.0365 223 E 4.1438 8.0036 117.9589 58.2654 29.2067 178.4732 224 K 4.5978 7.5536 117.3424 55.8496 34.0957 174.9188 225 Y 4.6862 7.5128 120.5767 55.9050 40.6875 174.5793 226 P 4.4942 0.0000 0.0000 61.1858 30.0396 174.5627 227 L 4.3962 8.0451 125.9939 55.8665 42.5700 178.0308 228 T 4.4393 8.7088 114.4214 60.5713 71.7599 175.7911 229 N 4.3469 8.5840 117.8119 56.4807 38.4715 177.5298 230 A 4.0611 7.9700 121.6895 55.0896 18.5245 179.2560 231 D 4.3433 8.2761 117.5990 57.5866 40.8673 179.1464 232 K 4.0206 8.2033 118.9666 59.4688 31.9364 179.2293 233 Q 4.2690 8.1125 121.3041 58.4933 28.9390 178.2946 234 I 3.6763 7.7852 120.9796 64.3304 37.1008 178.4056 235 L 3.7857 7.7636 119.7178 57.6115 41.0364 178.9946 236 E 3.8938 8.4480 119.9007 59.4837 29.6009 179.1663 237 R 4.0053 8.2534 115.7896 58.8233 29.4730 178.1281 238 Y 4.0788 7.9037 120.9420 60.6024 38.7673 177.9928 239 K 3.5814 8.1141 119.8523 60.0950 32.2162 178.9942 240 I 3.8109 7.3765 119.7108 63.8464 37.0356 178.2678 241 G 3.6533 7.7284 105.9826 47.3513 0.0000 175.5005 242 L 3.9568 7.2320 120.6331 55.5320 41.7179 177.1568 243 K 4.1135 7.4463 122.2870 56.8576 32.8633 174.3545 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 8.15 4.82 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 K 8.48 4.99 0.00 1.84 1.80 0.00 1.20 0.00 0.00 1.39 0.00 0.00 2.55 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.35 7.81 3 I 9.99 5.12 1.78 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 1.26 0.71 0.62 0.00 0.00 4 D 8.95 5.62 0.00 2.49 2.49 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 5 Y 8.37 4.94 0.00 2.35 2.43 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 6 L 8.62 4.95 0.00 1.83 1.83 0.16 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.73 5.01 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 1.23 0.00 0.00 8 L 8.54 4.45 0.00 0.78 0.97 0.96 0.81 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 9 F 8.87 5.86 0.00 3.07 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 10 P 0.00 4.51 0.00 2.26 2.33 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 11 E 8.33 4.30 0.00 2.24 2.33 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 2.49 2.29 0.00 12 M 7.99 4.00 0.00 1.77 2.14 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 13 F 8.30 4.22 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.21 4.51 0.00 2.83 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 15 G 8.12 3.79 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 0.00 0.00 0.00 16 V 7.58 3.55 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 0.87 0.00 0.00 0.82 0.00 0.00 17 L 8.08 4.14 0.00 1.69 1.82 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.90 4.59 0.00 2.67 2.57 0.00 0.00 7.03 8.04 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 19 H 7.92 4.27 0.00 3.29 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.54 4.65 0.00 4.02 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 21 I 7.97 4.19 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 1.31 0.70 0.93 0.00 0.00 22 M 9.35 4.27 0.00 2.37 2.05 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 2.61 2.67 0.00 23 K 8.05 4.13 0.00 1.81 1.85 0.00 1.77 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.47 7.81 24 R 8.09 3.87 0.00 1.79 2.04 0.00 3.37 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 25 A 7.74 4.23 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 26 Q 8.01 4.16 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 27 E 8.02 4.22 0.00 1.97 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 0.00 2.35 2.45 0.00 28 N 7.74 4.66 0.00 2.90 2.81 0.00 0.00 6.64 6.58 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 29 N 8.36 4.06 0.00 2.76 2.82 0.00 0.00 7.20 6.68 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 30 K 8.00 4.21 0.00 1.96 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.53 7.81 31 L 7.37 5.60 0.00 1.60 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0.00 0.00 0.00 74 L 7.69 4.35 0.00 1.67 1.76 0.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.03 4.41 0.00 2.79 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 76 V 7.50 3.57 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 0.66 0.00 0.00 0.81 0.00 0.00 77 T 8.21 4.29 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 1.27 0.00 0.00 78 E 8.29 4.22 0.00 1.97 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 2.29 2.28 0.00 79 Q 9.12 4.11 0.00 2.02 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 80 A 7.44 4.71 1.18 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 81 R 8.74 4.33 0.00 1.53 1.68 0.00 3.36 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 82 V 8.43 4.41 2.06 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 92 F 9.02 4.63 0.00 3.05 3.05 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 93 S 7.33 4.39 0.00 3.87 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 94 H 8.69 3.89 0.00 3.19 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.01 4.08 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 96 K 7.54 3.92 0.00 1.84 1.74 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.68 7.81 97 A 7.70 4.12 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 98 V 7.84 3.43 2.15 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 0.80 0.00 0.00 0.76 0.00 0.00 99 E 8.06 4.06 0.00 2.19 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 2.29 2.34 0.00 100 L 8.05 4.07 0.00 1.98 1.75 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.00 4.34 0.00 4.06 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 0.00 102 K 7.53 4.22 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.62 7.81 103 A 7.22 4.17 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 0.00 104 D 8.46 4.76 0.00 2.69 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 0.00 105 H 7.61 5.15 0.00 3.12 3.03 0.00 5.63 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 0.00 106 I 8.66 4.93 1.79 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 0.96 0.60 0.30 0.00 0.00 107 V 8.90 4.66 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 0.77 0.00 0.00 0.74 0.00 0.00 108 F 9.13 5.15 0.00 3.03 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 0.00 109 I 8.86 3.97 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 0.93 0.00 0.00 110 C 8.97 4.47 0.00 3.10 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 0.00 111 G 8.31 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 0.00 0.00 0.00 112 H 8.63 4.97 0.00 2.98 3.22 0.00 5.66 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 0.00 113 Y 8.35 4.66 0.00 2.32 2.58 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 0.00 0.00 0.00 0.00 114 E 8.15 4.02 0.00 2.06 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 2.33 0.00 115 G 7.36 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 0.00 116 Y 8.44 5.04 0.00 2.87 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 0.00 117 D 8.63 4.41 0.00 2.90 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 0.00 118 E 9.30 4.07 0.00 2.18 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 0.00 2.43 2.53 0.00 119 R 8.31 4.18 0.00 2.23 2.09 0.00 3.12 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 120 I 8.05 3.79 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.86 0.00 0.00 121 R 7.86 3.91 0.00 1.96 1.98 0.00 3.27 0.00 0.00 3.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 122 T 8.49 4.12 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 1.31 0.00 0.00 123 H 8.41 4.56 0.00 3.50 3.53 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.44 4.21 0.00 1.53 1.42 0.14 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.61 3.71 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 0.75 0.00 0.00 0.79 0.00 0.00 126 T 8.50 4.49 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 1.12 0.00 0.00 127 D 7.75 4.81 0.00 2.47 2.49 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 0.00 128 E 8.76 5.10 0.00 1.83 1.75 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 2.17 2.22 0.00 129 I 8.69 5.03 1.90 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 1.18 1.12 1.14 0.00 0.00 130 S 8.83 4.61 0.00 4.07 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.67 4.22 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 132 G 6.52 3.79 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.15 4.03 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 0.00 205 W 8.45 4.07 0.00 3.44 3.34 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 0.00 206 R 8.40 3.72 0.00 1.82 1.56 0.00 2.71 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 207 H 8.31 4.10 0.00 3.26 3.44 0.00 5.79 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 0.00 208 E 8.28 3.76 0.00 1.94 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 2.26 2.47 0.00 209 Q 7.55 3.59 0.00 1.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 210 K 7.97 3.84 0.00 1.82 1.74 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.66 7.81 211 L 7.58 3.70 0.00 1.66 1.51 0.86 0.35 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 0.00 212 I 7.63 3.31 1.52 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.23 0.08 0.00 0.00 213 R 8.11 3.86 0.00 1.78 1.91 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 214 T 7.80 3.80 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 1.18 0.00 0.00 215 Y 8.05 4.02 0.00 2.91 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 0.00 216 N 8.41 4.54 0.00 2.91 2.92 0.00 0.00 6.95 7.14 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 0.00 217 K 8.27 4.52 0.00 1.78 1.80 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 218 R 8.35 4.68 0.00 1.68 1.86 0.00 3.28 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 1.50 1.66 0.00 219 P 0.00 4.17 0.00 2.16 2.13 0.00 3.60 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 2.01 1.94 0.00 220 D 8.02 4.38 0.00 2.85 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 0.00 221 L 8.11 4.17 0.00 1.83 1.94 0.90 0.77 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 0.00 222 I 7.57 3.74 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 1.00 0.00 0.00 223 E 8.00 4.14 0.00 2.16 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 2.54 2.48 0.00 224 K 7.55 4.60 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.58 7.81 225 Y 7.51 4.69 0.00 3.09 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 0.00 226 P 0.00 4.49 0.00 2.04 1.92 0.00 2.78 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.69 0.00 227 L 8.05 4.40 0.00 1.74 1.76 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 228 T 8.71 4.44 4.26 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 1.27 0.00 0.00 229 N 8.58 4.35 0.00 2.77 2.92 0.00 0.00 6.69 7.50 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 0.00 230 A 7.97 4.06 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 0.00 231 D 8.28 4.34 0.00 3.00 2.80 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 0.00 232 K 8.20 4.02 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 233 Q 8.11 4.27 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 234 I 7.79 3.68 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.80 0.00 0.00 235 L 7.76 3.79 0.00 1.64 1.46 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 236 E 8.45 3.89 0.00 2.07 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 2.31 2.33 0.00 237 R 8.25 4.01 0.00 2.08 2.17 0.00 2.84 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 238 Y 7.90 4.08 0.00 3.01 3.07 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 0.00 239 K 8.11 3.58 0.00 1.95 2.01 0.00 1.42 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.59 7.81 240 I 7.38 3.81 1.96 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 1.43 0.63 0.88 0.00 0.00 241 G 7.73 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 0.00 242 L 7.23 3.96 0.00 1.55 1.61 0.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 243 K 7.45 4.11 0.00 1.75 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.