NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9272 8.2127 109.7354 45.1436 0.0000 174.1275 3 I 3.3723 8.5381 125.4830 63.2648 37.7817 176.0533 4 K 3.9016 8.1431 120.2225 59.4958 32.5778 177.6214 5 N 4.2749 8.0939 116.7534 56.8207 38.8330 176.2456 6 D 4.3451 8.2728 120.4469 57.3838 40.8411 178.6932 7 L 3.9119 7.9377 120.7269 57.8999 42.1055 178.3425 8 E 3.9374 8.3955 119.7935 59.4374 29.4178 178.8974 9 I 3.7303 7.7833 112.9141 64.1303 37.2788 178.3667 10 R 3.9370 7.5701 118.7566 59.0829 30.3122 178.8440 11 L 4.1568 8.2816 118.9759 57.6206 41.3318 179.3272 12 Q 4.0356 8.0266 119.0721 58.8979 29.0669 177.9693 13 K 4.1235 7.6753 118.4204 57.5056 32.4789 177.6115 14 L 4.0774 6.9326 119.0488 54.5428 42.1293 176.5956 15 Q 4.1076 9.0969 124.6016 55.8707 28.9150 175.5649 16 Q 3.9858 8.1460 126.1277 54.8957 29.9986 178.1747 17 Q 3.3468 8.1786 120.6474 56.1966 29.2176 174.5636 18 G 3.8182 8.2897 108.2045 43.8038 0.0000 171.6667 *27 Y 4.4459 8.3470 122.6844 56.7715 39.0051 173.9193 28 P 4.4293 0.0000 0.0000 62.6054 32.1699 176.0388 29 T 4.2217 8.2614 118.3786 62.6872 69.1014 175.4690 30 D 4.5710 8.5806 126.4373 53.1129 41.4292 177.0066 31 A 3.9841 8.5783 122.3166 55.4310 18.2379 180.1387 32 S 4.1666 8.0607 110.9626 62.0490 62.6760 176.4146 33 T 3.9508 8.7871 118.6405 66.4465 68.0967 176.5636 34 A 4.1189 8.3801 122.6892 55.2238 18.4001 179.5175 35 A 3.9591 8.3240 119.4716 55.3770 18.5112 179.1699 36 Y 4.0278 8.3516 118.1550 60.7967 38.9671 177.9345 37 F 4.2478 8.9474 121.7625 61.6350 39.4522 177.1123 38 L 3.6172 8.3068 118.7721 57.7166 41.3316 179.6687 39 I 3.6790 7.9033 119.9437 64.1227 36.9598 178.3435 40 E 3.7903 7.7507 119.4290 59.4332 29.3023 179.4358 41 I 3.3602 7.0277 119.2720 64.1825 36.9981 177.8533 42 Y 3.8976 8.0131 120.7097 60.8652 38.4462 178.0389 43 N 4.2478 8.3586 116.1851 55.9228 38.6792 176.7732 44 D 4.3388 7.6448 119.3499 55.2834 40.8506 177.3605 45 G 3.5917 7.5744 107.2141 45.5778 0.0000 173.3728 46 N 4.7310 7.6655 114.2628 52.6908 38.8230 174.7716 47 I 4.2874 7.2981 116.8961 62.5780 39.8340 175.6768 48 G 3.9071 8.0635 108.3941 47.1963 0.0000 173.0982 49 G 3.8853 8.9914 112.7184 46.1672 0.0000 172.9282 50 R 4.9489 7.8713 118.1836 53.9325 34.2763 174.8552 51 S 5.1812 9.3888 116.2524 57.3908 64.7381 173.3450 52 V 4.9556 9.3654 125.0686 60.8447 34.8073 173.8622 53 I 4.6305 8.7427 126.4509 59.0507 40.6588 173.2719 54 D 4.9077 8.9172 129.5506 52.4590 42.7822 174.6118 55 A 2.7594 8.0940 129.2783 50.3511 19.7849 177.2035 56 G 3.7469 7.2686 110.7860 46.7105 0.0000 174.5548 57 T 4.0313 7.4054 113.9889 62.2493 69.0261 175.1035 58 G 3.6893 7.8895 109.4276 46.7654 0.0000 174.8069 59 N 4.3175 8.6685 122.4576 53.1279 37.4539 176.2327 60 G 4.5271 8.5752 108.5439 47.2369 0.0000 175.1034 61 I 3.6452 7.9659 120.6896 64.3851 37.8405 178.0466 62 L 4.0667 7.9676 118.6156 57.3628 41.4869 179.3174 63 A 3.9349 8.0013 120.5497 55.4220 18.4620 180.1858 64 C 4.4779 9.0073 115.5979 60.1051 34.4490 176.6702 65 G 3.5223 8.3710 107.4668 47.9280 0.0000 175.9914 66 S 4.1420 8.1568 117.6663 61.3618 62.7953 176.2160 67 Y 4.0312 8.1005 122.2977 60.7341 38.4018 178.0386 68 L 4.0449 8.1336 118.4928 56.8666 41.6476 178.3087 69 L 4.3102 7.2678 117.3172 54.0166 41.8414 176.8346 70 G 3.6998 7.8307 106.9493 45.8047 0.0000 173.6858 71 A 4.4825 7.4220 120.2379 51.8746 18.3902 178.6587 72 E 4.1140 8.9877 122.5534 59.0953 30.5463 177.3477 73 S 4.7646 7.8733 112.7192 56.8223 66.3559 173.0042 74 V 4.8433 8.5047 125.5062 61.4450 34.6891 174.0264 75 T 5.0751 8.9208 123.8506 61.8533 72.3989 172.8894 76 A 5.0802 8.6325 125.6233 50.6047 23.0903 175.1976 77 F 5.3510 8.3674 115.6751 55.5381 41.9832 173.1696 78 D 5.0073 8.5284 117.4317 53.4769 44.1608 175.6884 79 I 3.8820 8.7103 122.8544 62.3210 38.7683 175.6113 80 D 4.6768 8.7256 120.7699 52.8692 41.6629 174.5206 81 P 4.2804 0.0000 0.0000 65.9833 31.4126 178.3819 82 D 4.6296 8.8714 118.8291 56.4794 40.6806 178.7036 83 A 4.0131 8.0586 121.0143 55.2631 18.4312 179.5376 84 I 3.5378 7.6352 118.2521 64.4795 36.8633 178.5699 85 E 3.8984 8.1089 119.4694 59.6606 29.2834 179.5881 86 T 3.8759 7.8240 115.5614 66.3165 68.4795 176.6594 87 A 3.8209 7.9755 124.3867 54.4528 18.0080 179.7558 88 K 3.9722 7.5290 115.7482 59.7714 32.1286 179.4863 89 R 4.0733 7.3781 116.7710 59.1662 30.0685 178.3660 90 N 4.7568 7.8599 115.7736 55.4358 39.0169 172.9421 91 C 4.6210 8.2127 115.0962 54.6631 42.4414 174.5902 92 G 3.5291 8.5724 115.3672 47.3787 0.0000 172.8195 93 G 3.1272 7.4509 107.7443 46.5442 0.0000 173.7633 94 V 3.6974 6.6802 120.2744 61.6916 32.9847 176.0307 95 N 4.6015 8.6662 126.8418 52.8286 37.9217 174.3337 96 F 5.5081 8.0372 122.6149 55.4026 41.1844 174.6976 *98 V 4.1966 8.0751 118.7285 63.1514 31.9642 174.2699 99 A 4.5486 8.5425 126.9827 51.7918 22.7545 175.1680 100 D 4.7842 8.9088 120.2191 52.7168 42.7762 178.0460 101 V 3.1231 8.5144 124.6510 64.6692 31.2152 178.4688 102 S 4.1889 8.0032 113.7694 60.5237 62.8268 174.9029 103 E 4.2194 7.8953 119.4036 57.2042 29.7337 176.8590 104 I 3.9322 7.1621 120.8047 61.3189 37.5104 176.3200 105 S 4.6179 8.4511 114.8917 58.1533 65.6505 174.3225 106 G 3.8515 8.1147 110.2853 45.2955 0.0000 172.6710 107 K 4.7823 7.8200 118.4577 54.9512 34.0153 175.7837 108 Y 4.7446 8.5920 120.1578 56.5492 42.4146 176.1010 109 D 4.5129 9.1845 121.9888 57.4670 41.5964 177.2844 110 T 5.2371 8.4156 114.4882 61.4894 72.6702 172.7133 111 W 5.2407 9.8344 135.0000 55.8154 33.0585 174.6384 112 I 5.3109 8.2448 126.8886 58.4257 40.9095 174.2097 *114 N 5.3213 8.6573 121.4495 52.9710 38.1679 171.1299 115 P 3.5595 0.0000 0.0000 61.5590 32.1124 175.9312 116 P 4.5967 0.0000 0.0000 62.9363 32.0492 178.6454 117 F 4.6301 6.3805 119.1491 57.4183 37.9349 174.6354 *125 D 3.9890 8.5532 124.0552 54.9664 41.8737 176.5320 126 R 4.0420 8.4903 125.2866 57.8928 30.4030 177.9017 127 A 4.0911 8.2034 120.5051 55.9445 18.4729 179.6324 128 F 4.2917 8.3561 116.8226 60.6608 39.0750 178.1391 129 I 3.7172 8.0068 119.0699 64.5043 37.0061 177.9683 130 D 4.4420 8.5943 120.1429 57.3829 40.6604 178.8927 131 K 3.8858 7.9482 119.4202 59.1143 32.0522 178.6828 132 A 2.5800 7.0998 120.9977 54.6504 17.9145 179.6868 133 F 4.2414 7.4901 114.1832 60.0054 38.9992 177.0418 134 E 4.2743 7.8424 118.2484 58.0165 29.8165 177.4166 135 T 4.6492 7.9864 108.8402 63.6624 70.6186 173.3978 136 S 5.8439 8.4422 118.3199 56.1983 65.1235 172.7731 *138 W 4.7831 8.3710 122.0871 57.7359 30.8586 174.5418 139 I 5.1545 8.6549 124.8458 59.7535 39.4547 174.1725 140 Y 5.4074 9.5862 124.4101 56.4649 41.9452 174.6372 141 S 4.9923 9.3419 116.0920 57.0569 66.8425 172.5087 142 I 5.0563 7.4125 124.6962 58.4878 41.5036 174.4004 143 G 4.1821 8.0411 113.5034 46.1824 0.0000 171.4120 144 N 4.6406 8.3994 117.9210 53.6576 39.4695 176.2375 145 A 4.1662 8.7864 127.2142 54.6482 18.1905 179.7073 146 K 4.1455 9.2722 116.7634 58.3325 32.3387 178.0493 147 A 4.6128 7.9791 120.2400 51.8296 19.1299 178.4182 148 R 4.2235 7.9604 119.2639 59.9856 30.1791 178.1568 149 D 4.4301 8.1961 117.6989 57.2905 40.9664 178.1877 150 F 4.1509 8.3208 120.5644 61.5270 39.4588 176.9438 151 L 3.1574 8.2916 118.7317 57.4636 41.3483 179.5400 152 R 3.8364 8.0296 118.6114 59.2536 29.8305 178.5984 153 R 3.7976 7.7372 118.2459 59.4187 29.8987 178.3031 154 E 3.6298 7.5319 118.2241 59.4215 29.2274 179.5210 155 F 4.7993 8.1501 118.3091 60.6503 38.7771 178.0018 156 S 4.3257 8.1396 112.5947 61.2108 62.7194 176.1256 157 A 4.1039 7.3731 123.6532 54.1308 18.4467 178.0582 158 R 4.1187 6.7688 114.3700 55.6560 31.6458 175.8864 159 G 4.1575 7.4802 105.5666 45.7152 0.0000 172.3622 160 D 4.9870 8.9995 120.3266 52.4486 42.7025 176.6947 161 V 4.2919 8.5847 125.1282 62.6278 31.3674 175.4041 162 F 4.9329 8.4367 123.5999 57.1514 39.1867 176.0327 163 R 4.5663 7.1721 120.4487 55.0858 33.4554 173.5537 164 E 4.4978 8.7646 126.8433 54.5329 30.6892 172.2825 165 E 4.6831 9.1179 125.6927 53.5442 32.7496 173.9936 166 K 4.7069 8.5021 127.5635 55.8607 33.4448 175.8589 167 V 4.5810 8.3108 119.0481 60.2932 36.8890 173.1030 168 Y 5.0693 8.5041 118.6433 56.4184 40.9059 175.3622 169 I 4.5741 8.4042 123.9419 59.9555 39.7330 175.0872 170 T 4.6277 8.5304 123.6927 63.5755 68.9528 174.6418 171 V 4.5636 8.4729 118.3209 58.7628 36.4305 173.5640 172 P 4.4079 0.0000 0.0000 62.8142 31.7797 177.1952 173 R 4.3212 8.3484 119.2742 58.1279 30.6091 177.9465 174 I 3.6290 7.6848 110.9680 63.9199 37.0717 176.3450 175 Y 4.3659 7.3837 116.1002 59.1845 38.4521 175.0543 *182 R 4.0535 7.5988 116.7351 56.3667 31.4185 174.4878 183 A 5.0441 8.4092 117.1094 51.0075 20.0640 176.5502 184 R 5.2549 7.7763 113.4086 56.1248 32.8047 174.2646 185 I 4.7056 8.3921 113.9758 58.9368 41.2824 173.9814 186 E 4.0592 8.8431 125.8859 55.9952 30.7679 175.2201 187 A 5.3928 9.0292 128.2711 49.9455 23.2985 174.7858 188 V 4.7555 8.8186 117.9915 60.0350 34.9782 174.6190 189 I 4.8968 8.7179 124.6169 59.6372 39.7369 174.4533 190 F 5.2672 9.5820 125.9663 55.5421 42.2664 174.6420 191 G 3.7716 8.7892 110.1030 44.1003 0.0000 171.7615 192 V 4.6976 8.0374 125.3730 60.8750 35.3774 173.9275 193 R 4.4876 9.0072 128.2044 54.2667 31.6607 174.8682 194 N 4.8280 8.5288 125.5795 54.3467 39.0514 174.5213 195 H 4.4453 8.8279 123.2435 58.9120 29.3974 176.4283 196 S 4.0750 8.4859 113.9050 58.1590 63.5172 174.2518 197 F 4.3251 7.9512 118.9373 58.3871 38.6739 175.5418 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 G 8.21 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 3 I 8.54 3.37 1.82 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 1.35 1.06 0.89 0.00 0.00 4 K 8.14 3.90 0.00 1.86 1.82 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.59 7.81 5 N 8.09 4.27 0.00 2.88 2.93 0.00 0.00 7.15 8.49 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 6 D 8.27 4.35 0.00 2.82 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 7.94 3.91 0.00 1.77 1.77 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.40 3.94 0.00 2.20 2.12 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 2.32 2.48 0.00 9 I 7.78 3.73 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 1.75 0.63 0.94 0.00 0.00 10 R 7.57 3.94 0.00 1.95 2.04 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 11 L 8.28 4.16 0.00 1.82 1.74 0.95 0.99 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 12 Q 8.03 4.04 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 K 7.68 4.12 0.00 1.90 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.72 7.81 14 L 6.93 4.08 0.00 1.95 1.61 0.94 0.96 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 15 Q 9.10 4.11 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 16 Q 8.15 3.99 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.05 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 17 Q 8.18 3.35 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 18 G 8.29 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 0.00 0.00 0.00 *27 Y 8.35 4.45 0.00 3.03 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 28 P 0.00 4.43 0.00 2.09 2.00 0.00 3.84 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 2.08 2.12 0.00 29 T 8.26 4.22 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 1.22 0.00 0.00 30 D 8.58 4.57 0.00 2.96 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 31 A 8.58 3.98 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 32 S 8.06 4.17 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.79 3.95 4.27 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 1.25 0.00 0.00 34 A 8.38 4.12 1.45 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 0.00 0.00 35 A 8.32 3.96 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 0.00 0.00 0.00 0.00 0.00 36 Y 8.35 4.03 0.00 3.18 3.26 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 37 F 8.95 4.25 0.00 3.11 3.32 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 38 L 8.31 3.62 0.00 1.62 1.56 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.90 3.68 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.88 0.00 0.00 40 E 7.75 3.79 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 41 I 7.03 3.36 1.48 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 -0.30 -0.01 0.40 0.00 0.00 42 Y 8.01 3.90 0.00 2.99 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 43 N 8.36 4.25 0.00 2.74 2.79 0.00 0.00 7.13 7.84 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 44 D 7.64 4.34 0.00 2.67 2.39 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 45 G 7.57 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.67 4.73 0.00 2.62 2.78 0.00 0.00 6.66 6.88 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 47 I 7.30 4.29 2.02 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 1.22 1.27 0.95 0.00 0.00 48 G 8.06 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 49 G 8.99 3.89 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 0.00 0.00 0.00 50 R 7.87 4.95 0.00 1.88 1.97 0.00 3.32 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 51 S 9.39 5.18 0.00 4.05 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 52 V 9.37 4.96 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 0.95 0.00 0.00 0.96 0.00 0.00 53 I 8.74 4.63 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.36 0.82 0.00 0.00 54 D 8.92 4.91 0.00 2.63 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 55 A 8.09 2.76 0.64 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 0.00 0.00 56 G 7.27 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 57 T 7.41 4.03 4.33 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 1.29 0.00 0.00 58 G 7.89 3.69 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 59 N 8.67 4.32 0.00 3.04 3.09 0.00 0.00 5.99 7.20 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 60 G 8.58 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.97 3.65 2.00 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 1.56 1.35 0.94 0.00 0.00 62 L 7.97 4.07 0.00 2.08 1.76 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.00 3.93 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 64 C 9.01 4.48 0.00 3.14 3.23 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 65 G 8.37 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.16 4.14 0.00 4.05 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 67 Y 8.10 4.03 0.00 3.03 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 68 L 8.13 4.04 0.00 1.78 1.67 0.95 1.19 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 69 L 7.27 4.31 0.00 1.68 1.42 0.76 0.30 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 70 G 7.83 3.70 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 0.00 0.00 0.00 71 A 7.42 4.48 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 72 E 8.99 4.11 0.00 2.02 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 0.00 2.34 2.27 0.00 73 S 7.87 4.76 0.00 3.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.13 2.21 0.00 82 D 8.87 4.63 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.06 4.01 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 84 I 7.64 3.54 2.00 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 1.71 0.98 0.93 0.00 0.00 85 E 8.11 3.90 0.00 2.13 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 2.31 2.66 0.00 86 T 7.82 3.88 4.27 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 1.23 0.00 0.00 87 A 7.98 3.82 0.16 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 88 K 7.53 3.97 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.65 7.81 89 R 7.38 4.07 0.00 1.94 1.95 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 90 N 7.86 4.76 0.00 2.82 2.89 0.00 0.00 6.87 7.07 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 91 C 8.21 4.62 0.00 3.01 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 92 G 8.57 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.45 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 6.68 3.70 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 -0.47 0.00 0.00 0.62 0.00 0.00 95 N 8.67 4.60 0.00 2.82 2.79 0.00 0.00 7.18 7.42 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 96 F 8.04 5.51 0.00 2.99 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 *98 V 8.08 4.20 2.12 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 0.80 0.00 0.00 0.97 0.00 0.00 99 A 8.54 4.55 1.13 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 1.31 1.32 7.81 108 Y 8.59 4.74 0.00 3.01 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 0.00 109 D 9.18 4.51 0.00 2.90 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 0.00 110 T 8.42 5.24 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 1.53 0.00 0.00 111 W 9.83 5.24 0.00 3.52 2.93 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 0.00 112 I 8.24 5.31 1.84 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 1.13 1.30 1.13 0.00 0.00 *114 N 8.66 5.32 0.00 2.68 2.73 0.00 0.00 7.37 7.69 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 0.00 115 P 0.00 3.56 0.00 0.49 1.34 0.00 3.87 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 1.85 1.91 0.00 116 P 0.00 4.60 0.00 2.14 2.05 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.41 5.06 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 2.14 0.31 0.00 0.00 143 G 8.04 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 0.00 144 N 8.40 4.64 0.00 2.77 2.76 0.00 0.00 6.81 8.42 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 0.00 145 A 8.79 4.17 1.31 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 0.00 146 K 9.27 4.15 0.00 1.84 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.58 7.81 147 A 7.98 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.96 4.22 0.00 2.18 2.08 0.00 3.07 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 149 D 8.20 4.43 0.00 2.90 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 0.00 150 F 8.32 4.15 0.00 3.08 3.27 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 0.00 151 L 8.29 3.16 0.00 1.56 0.98 1.21 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.03 3.84 0.00 2.30 2.22 0.00 3.21 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 153 R 7.74 3.80 0.00 1.95 1.89 0.00 3.19 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 154 E 7.53 3.63 0.00 1.31 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 1.47 1.47 0.00 155 F 8.15 4.80 0.00 2.89 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 0.00 156 S 8.14 4.33 0.00 4.05 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 0.00 157 A 7.37 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 6.77 4.12 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.93 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.16 0.00 159 G 7.48 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 0.00 160 D 9.00 4.99 0.00 2.68 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 0.00 161 V 8.58 4.29 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 1.00 0.00 0.00 1.03 0.00 0.00 162 F 8.44 4.93 0.00 3.13 3.28 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 0.00 163 R 7.17 4.57 0.00 2.01 1.66 0.00 3.35 0.00 0.00 3.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 164 E 8.76 4.50 0.00 1.92 1.71 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 1.85 1.47 0.00 165 E 9.12 4.68 0.00 2.08 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 2.25 2.27 0.00 166 K 8.50 4.71 0.00 1.71 1.62 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.16 7.81 167 V 8.31 4.58 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 0.72 0.00 0.00 0.88 0.00 0.00 168 Y 8.50 5.07 0.00 2.72 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 0.00 169 I 8.40 4.57 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.98 0.00 0.00 170 T 8.53 4.63 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 1.19 0.00 0.00 171 V 8.47 4.56 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 0.26 0.00 0.00 0.60 0.00 0.00 172 P 0.00 4.41 0.00 2.02 1.94 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 173 R 8.35 4.32 0.00 1.75 1.95 0.00 3.22 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 174 I 7.68 3.63 1.44 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.73 0.00 0.00 175 Y 7.38 4.37 0.00 3.30 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 *182 R 7.60 4.05 0.00 1.81 1.91 0.00 3.17 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 183 A 8.41 5.04 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 0.00 184 R 7.78 5.25 0.00 1.80 1.79 0.00 2.37 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 185 I 8.39 4.71 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.69 0.00 0.00 186 E 8.84 4.06 0.00 1.99 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 2.10 1.70 0.00 187 A 9.03 5.39 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 0.00 188 V 8.82 4.76 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 0.92 0.00 0.00 0.45 0.00 0.00 189 I 8.72 4.90 1.92 0.00 0.00 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 1.12 0.76 1.23 0.00 0.00 190 F 9.58 5.27 0.00 2.93 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 8.79 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 0.00 0.00 0.00 192 V 8.04 4.70 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.09 0.00 0.00 193 R 9.01 4.49 0.00 1.99 1.78 0.00 3.02 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 194 N 8.53 4.83 0.00 2.95 2.80 0.00 0.00 7.25 7.89 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 0.00 195 H 8.83 4.45 0.00 3.02 3.21 0.00 5.72 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 0.00 196 S 8.49 4.08 0.00 3.28 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 0.00 197 F 7.95 4.33 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.