NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7154 8.2833 119.2060 53.0956 39.2640 174.7215 3 E 3.8093 8.8719 126.8016 58.9050 29.6156 177.3615 4 L 4.0690 8.2468 117.8318 55.4528 43.0465 177.4395 5 V 3.7342 8.2431 122.9613 63.1499 31.6519 171.9995 6 D 4.5722 7.1847 121.3329 51.8439 43.5778 175.5757 7 T 3.9209 8.3875 124.8657 66.9293 68.5392 176.7621 8 T 3.7563 7.8347 117.0934 66.8147 68.4508 176.4425 9 E 4.0194 8.7173 120.4667 59.6819 29.3781 179.4178 10 M 4.2136 8.2025 118.9171 58.3805 32.1018 178.3788 11 Y 3.9681 8.6030 117.2343 60.9617 38.0887 178.4394 12 L 4.0625 8.3194 120.1261 58.1088 41.7507 179.7743 13 R 4.0077 8.5590 118.7571 59.5962 29.9258 178.7063 14 T 3.9018 8.2055 115.9808 66.4913 68.3698 176.8517 15 I 3.7208 7.8463 121.8624 64.3997 37.0897 177.6280 16 Y 3.9066 8.1422 120.4004 60.8395 38.5774 177.8642 17 D 4.4164 8.4608 119.7781 57.5885 40.9384 178.7738 18 L 3.9371 7.9826 119.1343 58.0630 41.5253 179.5313 19 E 3.8665 8.2372 118.2681 59.5611 29.1638 179.4028 20 E 3.9221 8.0035 117.3935 58.8034 29.5690 178.3352 21 E 4.3229 7.8733 116.5096 55.7995 29.8368 177.0365 22 G 3.8724 7.5706 107.1139 45.9580 0.0000 173.4005 23 V 4.3663 7.6027 118.8449 59.4052 33.3186 175.7644 24 T 3.7941 8.6077 120.3238 63.8359 69.0945 172.0767 25 P 4.4626 0.0000 0.0000 62.5402 32.0118 175.5515 26 L 5.0881 8.2224 124.1499 52.0925 45.3860 178.0211 27 R 3.8942 8.7915 119.8090 59.8458 30.0137 179.1090 28 A 4.0070 8.0025 119.6285 55.1932 18.2894 179.8047 29 R 4.0254 7.9474 116.5407 59.4301 30.0642 179.2288 30 I 3.4888 7.6487 118.9049 64.1102 37.0726 178.0133 31 A 4.0026 7.9858 121.5045 55.2703 18.1622 179.2313 32 E 3.8439 7.9348 116.6500 59.9555 29.4064 180.1333 33 R 4.0128 7.9590 116.3614 58.6709 30.2993 177.6945 34 L 4.3223 8.1438 115.4477 53.6002 42.2694 175.8026 35 D 4.3794 7.4527 116.0177 55.8561 39.8069 172.7072 36 Q 4.7674 7.8595 116.3465 53.4805 32.8503 177.0108 37 S 4.5323 8.3809 115.1115 57.7688 65.3360 175.5338 38 G 3.6701 8.5723 109.4364 47.8610 0.0000 174.2256 39 P 4.3309 0.0000 0.0000 65.2414 31.2643 178.8606 40 T 3.8802 7.8886 114.4397 66.6165 68.3356 176.6759 41 V 4.2440 7.7873 121.4066 65.7530 31.5427 178.2018 42 S 4.1838 8.1613 114.7579 61.7694 62.6173 176.8419 43 Q 4.0000 8.2987 120.6954 59.1616 28.5170 178.7102 44 T 3.6901 8.1996 117.1445 66.5994 68.3490 176.7890 45 V 3.6671 8.2237 120.4635 66.2286 31.5159 178.3059 46 S 4.1107 8.1652 114.9354 61.5067 62.6401 176.5812 47 R 3.9215 8.1924 121.5920 59.6861 29.6807 178.5634 48 M 4.0561 8.0754 118.6125 57.9624 31.8500 178.2149 49 E 4.4067 8.3227 121.1166 58.9581 29.6321 178.9399 50 R 3.9275 8.0765 116.9096 59.5413 30.3018 178.2121 51 D 4.6169 7.9922 115.4446 54.5162 40.8256 176.9296 52 G 3.8949 8.0567 107.9587 46.3602 0.0000 174.5483 53 L 4.6170 8.2466 122.1710 55.4949 43.6282 176.2691 54 L 5.0363 7.6575 117.1688 54.8058 44.2396 174.4411 55 R 4.9230 9.4270 118.4033 54.3868 33.5290 175.4816 56 V 4.5989 8.5697 123.1031 61.1475 32.3169 175.6515 57 A 4.2781 8.9546 132.2713 51.2052 19.2904 178.1898 58 G 3.9307 8.8699 108.7366 49.1942 0.0000 174.5747 59 D 4.5213 8.2023 118.8078 53.5306 39.3835 177.6135 60 R 4.0492 8.2643 116.8659 56.9172 27.8899 180.2213 61 H 4.7573 7.8231 113.5371 56.2488 29.6431 173.7687 62 L 5.0227 8.5154 121.7069 53.2392 43.3233 175.6303 63 E 4.7091 9.0610 124.4240 54.0532 32.7270 174.9020 64 L 4.6917 8.6230 127.0045 54.9924 42.7760 177.1771 65 T 4.2654 8.4737 113.8563 60.9818 70.7181 175.3698 66 E 3.9770 8.8707 120.0715 59.3726 29.3904 179.4836 67 K 4.0059 8.0589 119.2225 59.5814 32.4360 178.8870 68 G 3.7019 8.1876 106.0184 47.8501 0.0000 175.5837 69 R 3.9687 8.5295 121.1816 59.1097 30.1354 178.3793 70 A 3.9929 8.0491 120.6452 55.3396 18.3862 179.6747 71 L 3.9831 7.9070 116.7095 57.5775 41.6545 179.5639 72 A 3.9447 8.1981 120.9525 55.0800 18.2824 179.6325 73 I 3.1855 7.9127 118.3241 64.4661 37.2182 178.5089 74 A 3.9686 7.8584 121.4531 55.0774 18.0651 179.9025 75 V 3.4884 7.7639 116.7770 66.3868 31.6433 178.0371 76 M 3.9417 7.9907 118.0283 58.2677 31.8966 178.1370 77 R 3.8591 8.2632 119.4351 59.4708 30.2419 178.6195 78 K 3.9463 8.0265 118.2293 59.6043 31.9608 178.7353 79 H 4.0947 8.4232 118.7253 59.6005 29.8000 177.6622 80 R 4.0053 8.2224 119.7151 58.9580 29.8221 179.0342 81 L 3.9586 8.2267 118.9597 57.6387 41.5296 179.3147 82 A 4.0403 8.3498 121.0544 55.2806 18.2176 179.5427 83 E 3.7413 8.2343 117.1071 59.3910 29.4997 179.6403 84 R 3.8071 8.0599 118.1809 59.1756 30.2128 178.4256 85 L 3.8588 8.1073 120.2447 58.5735 42.0305 179.1919 86 L 3.7808 7.9777 118.8140 57.3520 41.0611 179.6984 87 V 3.1794 7.4782 117.9552 65.8156 31.3759 177.9839 88 D 4.1825 8.2734 117.4918 56.3017 40.7032 177.3244 89 V 4.1055 7.4939 117.0698 64.4444 32.8047 176.9088 90 I 3.8393 7.6334 118.5820 62.1047 37.3102 176.9408 91 G 3.7398 7.4880 106.7903 45.5307 0.0000 173.0922 92 L 3.9436 7.5374 121.4902 53.7179 42.6503 175.2628 93 P 4.3429 0.0000 0.0000 62.5638 32.0920 177.0366 94 W 4.2020 9.1459 121.6088 60.0982 29.0419 177.8407 95 E 4.4277 8.3788 112.8883 57.5079 29.5791 177.1904 96 E 4.6020 8.2570 118.7498 56.6147 30.8845 178.2539 97 V 3.5069 7.6338 113.6408 64.3239 31.3610 177.7232 98 H 4.3564 8.5582 117.7320 58.6922 29.8421 176.4646 99 A 4.1051 7.9876 120.5793 55.1913 18.4516 178.8092 100 E 3.9235 7.8896 116.9782 59.0208 29.9207 180.7406 101 A 4.1393 7.9142 123.4610 51.4696 18.3563 179.7165 *103 R 4.3720 7.9669 121.8020 57.5463 32.5118 178.7414 104 W 4.3276 8.5566 117.6881 59.4000 29.1666 178.2475 105 E 4.0688 8.3873 116.0825 59.0469 28.8576 177.5011 106 H 5.0689 7.7394 113.7857 55.7198 29.1789 175.8549 107 V 4.3472 7.6139 110.5944 60.6509 33.2261 175.2564 108 M 4.2088 7.9229 120.7784 54.7792 32.9669 176.4700 109 S 4.5148 8.3457 120.9526 57.8150 65.7833 175.1114 110 E 4.2869 8.4812 123.0069 59.0129 29.2120 179.3202 111 D 4.3596 8.0403 118.7516 57.3582 40.8603 178.8009 112 V 3.6036 7.7637 118.5745 65.8600 30.9819 177.8643 113 E 3.9710 8.1114 118.4056 59.6415 29.2216 179.5407 114 R 3.9761 8.3749 118.3437 59.3564 30.1023 179.3677 115 R 3.9440 7.9889 117.7490 59.2959 29.9778 179.1514 116 L 4.1527 8.2821 119.2223 57.6164 41.4810 179.6376 117 V 3.5831 8.0625 118.5444 65.8021 31.3981 178.3885 118 K 3.9438 7.8520 118.2719 59.5245 31.8290 179.5502 119 V 3.5717 8.0360 117.8033 65.8492 31.4888 176.6151 120 L 4.2138 8.1071 116.9341 54.3537 42.0339 175.5225 121 N 3.9728 8.0378 115.5063 55.1576 37.3010 174.1773 122 N 4.1779 8.4560 113.9027 53.8686 36.8218 173.7196 123 P 4.4794 0.0000 0.0000 62.9621 32.7642 176.9908 124 T 4.5913 8.4553 108.6000 61.4870 70.1173 173.3642 125 T 5.0549 7.4554 111.0473 59.7963 72.0436 173.4741 126 S 4.4831 9.1147 118.1571 57.1789 63.8830 173.4961 127 P 4.2915 0.0000 0.0000 65.1160 30.9333 177.4815 128 F 4.7018 8.0170 114.9858 57.2143 38.8995 176.7396 129 G 4.0603 8.3917 110.1271 44.9063 0.0000 173.6718 130 N 5.0037 7.9555 117.5449 51.2680 40.5031 172.8899 131 P 4.8129 0.0000 0.0000 63.1275 32.3766 175.7032 132 I 4.3270 8.3653 124.5663 59.8952 37.4866 174.3865 133 P 4.5012 0.0000 0.0000 63.0488 32.6400 177.0228 134 G 4.4233 8.7643 105.4980 45.8795 0.0000 175.5476 135 L 3.9733 7.4253 121.0843 57.3331 41.4247 179.6261 136 V 4.0821 7.6056 119.2513 65.7510 31.7268 177.7374 137 E 3.9904 8.1998 117.8013 59.3972 29.0729 178.9909 138 L 4.0661 8.0534 119.9747 56.5003 42.0922 177.8390 139 G 4.0688 7.9426 105.9778 45.3645 0.0000 174.1566 140 V 4.2313 7.4731 110.4045 60.9406 33.0489 175.3318 141 A 4.6731 7.4389 121.8027 50.9312 21.9327 174.8443 142 S 5.0463 8.2582 113.0684 56.4942 66.3121 173.0327 143 E 4.5542 8.5694 120.0517 54.9104 30.7237 175.9290 144 N 4.9086 8.5206 120.5003 51.8401 40.8127 173.9395 145 L 4.5706 8.1855 119.1270 53.1765 43.5696 175.6497 146 Y 4.5597 8.2808 123.3801 55.6799 40.1960 174.7933 147 F 4.3370 8.4689 126.8148 56.5327 40.0777 175.8149 148 Q 4.2495 8.6505 122.5534 56.2563 28.7165 175.3572 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 N 8.28 4.72 0.00 2.74 2.80 0.00 0.00 7.07 6.77 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 3 E 8.87 3.81 0.00 2.10 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 2.34 2.41 0.00 4 L 8.25 4.07 0.00 1.78 1.74 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.24 3.73 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 6 D 7.18 4.57 0.00 2.68 2.35 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 7 T 8.39 3.92 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 1.14 0.00 0.00 8 T 7.83 3.76 4.34 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 1.20 0.00 0.00 9 E 8.72 4.02 0.00 2.09 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 2.37 2.58 0.00 10 M 8.20 4.21 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 11 Y 8.60 3.97 0.00 3.13 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 12 L 8.32 4.06 0.00 1.90 1.77 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.56 4.01 0.00 2.06 1.95 0.00 2.98 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 14 T 8.21 3.90 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 1.14 0.00 0.00 15 I 7.85 3.72 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.95 0.00 0.00 16 Y 8.14 3.91 0.00 3.17 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 17 D 8.46 4.42 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.98 3.94 0.00 1.84 1.89 0.89 0.79 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 19 E 8.24 3.87 0.00 1.88 1.81 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 2.27 2.45 0.00 20 E 8.00 3.92 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 21 E 7.87 4.32 0.00 2.07 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 2.29 2.47 0.00 22 G 7.57 3.87 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 0.00 0.00 0.00 23 V 7.60 4.37 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 0.70 0.00 0.00 0.91 0.00 0.00 24 T 8.61 3.79 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 1.21 0.00 0.00 25 P 0.00 4.46 0.00 2.24 2.03 0.00 3.59 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 2.14 2.11 0.00 26 L 8.22 5.09 0.00 1.65 1.52 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.79 3.89 0.00 1.85 2.02 0.00 3.15 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 28 A 8.00 4.01 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 29 R 7.95 4.03 0.00 1.94 1.95 0.00 3.28 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 30 I 7.65 3.49 1.79 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 1.37 0.59 0.04 0.00 0.00 31 A 7.99 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.93 3.84 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 33 R 7.96 4.01 0.00 1.80 1.95 0.00 3.10 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 34 L 8.14 4.32 0.00 1.59 1.68 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.45 4.38 0.00 2.79 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 36 Q 7.86 4.77 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 37 S 8.38 4.53 0.00 4.06 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 38 G 8.57 3.67 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 0.00 0.00 0.00 39 P 0.00 4.33 0.00 2.18 2.12 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 40 T 7.89 3.88 4.42 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 1.27 0.00 0.00 41 V 7.79 4.24 2.27 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 1.58 0.00 0.00 1.05 0.00 0.00 42 S 8.16 4.18 0.00 4.08 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 43 Q 8.30 4.00 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 44 T 8.20 3.69 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 0.41 0.00 0.00 45 V 8.22 3.67 2.36 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 1.16 0.00 0.00 1.21 0.00 0.00 46 S 8.17 4.11 0.00 4.05 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 47 R 8.19 3.92 0.00 1.91 2.01 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 48 M 8.08 4.06 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 49 E 8.32 4.41 0.00 2.12 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 2.31 2.41 0.00 50 R 8.08 3.93 0.00 2.00 1.99 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 51 D 7.99 4.62 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 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 53 L 8.25 4.62 0.00 1.74 1.73 0.92 0.48 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 54 L 7.66 5.04 0.00 1.88 1.76 0.94 0.68 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 55 R 9.43 4.92 0.00 1.69 1.82 0.00 3.10 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 56 V 8.57 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 0.74 0.00 0.00 0.96 0.00 0.00 57 A 8.95 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.87 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 59 D 8.20 4.52 0.00 2.82 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 60 R 8.26 4.05 0.00 2.02 2.00 0.00 3.26 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 61 H 7.82 4.76 0.00 3.29 3.63 0.00 5.40 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.52 5.02 0.00 1.53 1.64 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.06 4.71 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 64 L 8.62 4.69 0.00 1.62 1.71 1.05 0.98 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 65 T 8.47 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 66 E 8.87 3.98 0.00 2.01 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 2.41 2.33 0.00 67 K 8.06 4.01 0.00 1.83 1.96 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 68 G 8.19 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 69 R 8.53 3.97 0.00 1.96 2.16 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 70 A 8.05 3.99 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 71 L 7.91 3.98 0.00 1.74 1.73 0.96 0.82 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 72 A 8.20 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.91 3.19 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.89 0.00 0.00 74 A 7.86 3.97 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 75 V 7.76 3.49 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 1.05 0.00 0.00 0.99 0.00 0.00 76 M 7.99 3.94 0.00 1.71 1.63 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 77 R 8.26 3.86 0.00 2.07 2.05 0.00 3.15 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.98 3.78 0.00 1.59 1.39 0.25 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.48 3.18 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 -0.16 0.00 0.00 88 D 8.27 4.18 0.00 2.65 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 89 V 7.49 4.11 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 0.78 0.00 0.00 0.90 0.00 0.00 90 I 7.63 3.84 1.92 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 1.38 0.66 0.89 0.00 0.00 91 G 7.49 3.74 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 0.00 0.00 0.00 92 L 7.54 3.94 0.00 1.46 1.48 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.34 0.00 2.35 2.03 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 94 W 9.15 4.20 0.00 3.43 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.38 4.43 0.00 2.15 2.17 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 2.34 2.33 0.00 96 E 8.26 4.60 0.00 2.12 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 2.23 2.33 0.00 97 V 7.63 3.51 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 0.59 0.00 0.00 0.99 0.00 0.00 98 H 8.56 4.36 0.00 3.06 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.99 4.11 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 0.00 100 E 7.89 3.92 0.00 1.86 1.67 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 1.47 1.47 0.00 101 A 7.91 4.14 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 *103 R 7.97 4.37 0.00 2.32 2.21 0.00 3.22 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 104 W 8.56 4.33 0.00 3.30 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 0.00 105 E 8.39 4.07 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.68 0.00 106 H 7.74 5.07 0.00 3.26 3.41 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.61 4.35 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 0.67 0.00 0.00 0.90 0.00 0.00 108 M 7.92 4.21 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 109 S 8.35 4.51 0.00 4.08 3.95 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 0.00 110 E 8.48 4.29 0.00 2.03 2.04 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 2.58 2.25 0.00 111 D 8.04 4.36 0.00 2.67 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 0.00 112 V 7.76 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.91 0.00 0.00 113 E 8.11 3.97 0.00 2.28 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 0.00 2.35 2.60 0.00 114 R 8.37 3.98 0.00 1.82 1.98 0.00 3.13 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 115 R 7.99 3.94 0.00 2.02 1.98 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 116 L 8.28 4.15 0.00 1.85 1.73 0.98 0.72 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 0.00 117 V 8.06 3.58 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 1.12 0.00 0.00 0.95 0.00 0.00 118 K 7.85 3.94 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 119 V 8.04 3.57 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 0.75 0.00 0.00 0.95 0.00 0.00 120 L 8.11 4.21 0.00 1.76 1.66 0.97 1.19 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 0.00 121 N 8.04 3.97 0.00 2.85 2.90 0.00 0.00 7.18 7.87 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 0.00 122 N 8.46 4.18 0.00 2.87 2.83 0.00 0.00 6.86 7.90 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 0.00 123 P 0.00 4.48 0.00 2.17 2.04 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 124 T 8.46 4.59 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 1.26 0.00 0.00 125 T 7.46 5.05 4.36 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 1.23 0.00 0.00 126 S 9.11 4.48 0.00 4.28 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 0.00 127 P 0.00 4.29 0.00 1.35 1.64 0.00 3.69 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 1.76 1.87 0.00 128 F 8.02 4.70 0.00 3.09 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 0.00 129 G 8.39 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 0.00 0.00 0.00 130 N 7.96 5.00 0.00 2.77 2.81 0.00 0.00 6.87 8.03 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 0.00 131 P 0.00 4.81 0.00 2.11 2.08 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 132 I 8.37 4.33 1.89 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 1.32 0.52 0.93 0.00 0.00 133 P 0.00 4.50 0.00 2.24 2.31 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 134 G 8.76 4.42 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 0.00 135 L 7.43 3.97 0.00 1.56 1.74 0.93 0.77 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 0.00 136 V 7.61 4.08 2.09 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 1.49 0.00 0.00 0.99 0.00 0.00 137 E 8.20 3.99 0.00 2.22 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 0.00 2.41 2.44 0.00 138 L 8.05 4.07 0.00 1.85 1.83 0.92 1.34 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 0.00 139 G 7.94 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 0.00 0.00 0.00 140 V 7.47 4.23 2.09 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 0.72 0.00 0.00 0.97 0.00 0.00 141 A 7.44 4.67 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 0.00 142 S 8.26 5.05 0.00 3.94 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 0.00 143 E 8.57 4.55 0.00 1.98 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 2.24 2.32 0.00 144 N 8.52 4.91 0.00 2.75 2.80 0.00 0.00 6.97 7.85 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 0.00 145 L 8.19 4.57 0.00 1.59 1.13 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.28 4.56 0.00 2.89 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 0.00 147 F 8.47 4.34 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 0.00 148 Q 8.65 4.25 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.