NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6426 8.4249 119.2042 53.4332 40.8976 174.7790 3 D 4.4475 7.9068 116.5779 53.3528 42.0552 175.0347 4 C 4.4262 8.4982 121.2902 59.1453 30.3705 174.7197 5 V 3.7434 8.4876 125.4386 65.4214 30.9997 177.9773 6 L 3.8128 7.8224 119.1767 58.1710 41.9593 178.4857 7 D 4.4260 8.1225 120.8003 57.9872 40.9679 179.5747 8 V 3.7083 7.8427 122.3114 66.9477 31.5513 180.7281 9 M 4.3274 8.2749 121.6671 59.8647 31.1463 180.0724 10 H 4.4879 8.5924 117.6940 58.7359 28.9157 177.8129 11 A 4.0396 8.0768 122.4991 55.2880 18.3120 179.8176 12 I 3.7134 7.7657 118.0392 64.4473 37.0826 177.9903 13 Y 4.0073 8.3557 120.6976 60.8043 38.7433 177.9441 14 Q 3.9679 8.5550 122.9692 59.9877 29.2306 179.0221 15 Q 4.0189 7.9383 121.1769 60.2976 28.1749 180.1595 16 N 4.5415 8.0240 118.2916 55.6994 38.4982 177.6091 17 K 3.6997 7.8639 121.3212 59.3668 32.1876 178.6702 18 E 3.7667 7.7900 118.3457 59.6385 29.4814 178.7708 19 H 3.9837 7.9549 117.6328 59.1992 29.9139 177.0200 20 F 4.1885 8.0669 122.2167 61.4591 39.2476 177.1497 21 Q 2.6666 7.7470 120.0414 59.2128 27.8375 179.1682 22 D 4.5623 8.1789 125.6874 57.8680 39.8538 180.7488 23 E 4.2451 7.6772 117.0576 61.3520 29.8547 183.6411 24 C 4.3443 7.8938 117.8868 62.8110 28.2000 176.2558 25 T 3.9179 8.0976 113.8094 65.4038 68.0912 176.9022 26 K 4.0443 7.5324 127.3601 60.1370 31.7675 181.0201 27 L 4.4134 7.7772 124.4964 59.4063 41.2258 181.0861 28 L 4.6737 8.2135 124.9262 57.6357 41.4523 180.3841 29 V 4.2103 7.4324 117.3971 62.0612 31.8924 177.0230 30 G 4.2061 9.4012 117.2017 45.6885 0.0000 174.8646 31 N 4.7033 8.2646 120.0545 53.4253 39.0604 177.7689 32 I 5.0541 8.2065 118.5323 59.5869 38.1388 176.4777 33 V 5.2010 8.9260 121.5996 58.6061 35.1066 175.1754 34 I 5.2341 8.3478 124.5525 58.9109 38.7822 175.8046 35 T 4.9608 8.3921 123.4876 59.6918 69.0445 174.3738 36 R 3.9388 9.0200 125.8177 58.0492 29.8703 174.3021 37 Y 4.3825 7.9215 116.9880 59.3866 38.9307 176.5700 38 N 4.5857 6.9706 117.9539 51.5887 39.4952 178.0218 39 N 4.2327 8.2859 114.0015 54.2089 35.7983 179.7951 40 R 4.5228 7.2422 119.8203 57.4365 31.5613 179.3564 41 T 5.2612 7.5612 113.9127 59.7498 71.4737 173.8829 42 Y 4.6881 7.8617 117.4732 57.2255 42.5214 173.9587 43 R 4.6591 8.4307 122.9211 56.0025 31.7370 175.6239 44 I 4.2430 8.6397 126.8094 60.8423 37.7818 175.9177 45 D 4.8392 9.0130 127.3357 54.6561 42.5966 175.5992 46 D 4.3669 7.2559 119.0993 54.6525 44.7876 175.3219 47 V 4.4433 8.1690 119.0689 59.3012 35.0187 172.7452 48 D 4.5271 8.7600 126.5835 51.8567 41.1271 177.0607 49 W 4.3631 8.7541 126.7519 58.8151 29.4911 177.2655 50 N 4.7910 8.3069 114.0164 53.2626 38.6213 174.9071 51 K 4.7609 7.6621 117.8070 54.8532 35.0067 174.7683 52 T 4.9776 7.8234 113.0820 59.1729 70.5850 173.0042 53 P 4.5891 0.0000 0.0000 64.9924 31.5614 178.9951 54 K 4.1590 8.0903 116.9111 59.1104 32.3542 177.0578 55 D 4.8147 8.5656 119.0187 54.4228 42.1398 175.7382 56 S 5.0875 8.5726 115.8487 56.8870 65.8537 173.6310 57 F 4.9926 8.0393 118.3682 55.9574 41.3286 174.4625 58 T 4.6277 8.5098 114.7134 61.0496 69.7194 175.3008 59 M 4.4882 9.0345 127.0367 53.0053 33.8098 177.2676 60 S 4.1112 8.7748 113.9613 61.7412 62.6959 175.0603 61 D 4.5640 7.9891 117.0375 52.7926 39.4994 176.9153 62 G 3.9430 7.9625 108.8022 44.7942 0.0000 174.0975 63 K 3.9859 7.9531 122.6936 56.7379 33.1256 175.3413 64 E 4.8309 8.5673 126.5705 55.1131 31.3829 175.2981 65 I 4.5440 7.5385 122.5313 59.3493 41.9015 174.7608 66 T 4.7763 8.2260 117.7150 60.4401 69.9602 175.6131 67 F 4.5314 8.8306 121.4142 60.6249 38.9471 177.8334 68 L 4.2492 8.2380 121.1709 58.8294 41.5117 180.1736 69 E 4.0873 8.4268 117.9896 60.9989 29.6076 180.3752 70 Y 4.1819 8.2874 120.0557 61.2040 38.9878 177.9957 71 Y 4.0657 8.5473 117.8803 60.7395 37.9324 178.3825 72 S 4.3590 8.1512 117.6336 61.5316 62.3880 177.0701 73 K 3.9912 7.9186 125.0879 59.5017 31.4904 180.1462 74 N 4.3516 7.5781 116.0691 54.7897 38.7608 175.6440 75 Y 4.6626 7.4731 113.9712 56.6633 39.8449 176.2877 76 G 3.8962 8.0353 107.1856 46.1488 0.0000 173.1561 77 I 4.2502 7.6632 120.5036 59.7805 38.3548 174.8836 78 T 4.4833 8.3162 122.3767 61.6738 68.9771 174.6757 79 V 3.8470 8.4476 130.0134 63.1140 31.8880 176.5204 80 K 4.0069 9.3116 132.4358 57.9517 31.7370 174.6188 81 E 4.4590 8.1230 119.5168 54.4244 28.4070 177.5061 82 E 4.3176 8.7145 125.7609 57.1955 29.8802 178.0600 83 D 5.0260 8.0201 115.9975 51.6978 41.3139 181.5869 84 Q 4.2321 7.7502 117.7101 56.3929 29.2746 174.4156 85 P 4.9722 0.0000 0.0000 61.8358 33.5095 174.6373 86 L 4.6811 7.9591 118.3391 52.9449 44.7988 176.0101 87 L 4.5192 8.6641 122.9342 53.8451 43.4909 175.6328 88 I 4.6992 8.5941 124.9320 59.9262 39.8263 174.2973 89 H 5.0691 8.8821 125.8048 54.5096 32.4024 172.1407 90 R 4.7394 9.2351 126.5111 54.3430 30.8658 175.3494 91 P 4.4599 0.0000 0.0000 62.8914 32.5205 176.6969 92 S 4.5008 8.6148 116.9301 59.2421 62.5743 176.9059 93 E 4.8318 7.7319 117.3248 56.5020 30.5498 180.5477 94 R 4.4966 7.8175 120.2320 57.3495 30.8338 177.8000 95 Q 5.0432 7.7221 114.1954 56.7751 31.4125 173.2153 96 D 4.7424 8.0615 118.2085 53.3204 44.0971 174.2322 97 N 4.5242 8.2636 112.1330 52.8572 39.2434 176.2195 *101 L 4.3308 7.7871 119.5407 54.7168 42.4377 178.5357 102 L 4.7051 9.4201 124.7399 53.9686 43.4134 177.1001 103 K 4.5650 7.6444 116.0192 54.8884 35.9472 175.8469 104 G 3.9608 8.3540 111.4427 44.6367 0.0000 172.7765 105 E 4.3732 8.2719 118.6650 55.6705 30.7707 176.7481 106 I 4.1912 8.7147 124.3207 60.7212 39.1005 175.0695 107 L 5.1031 8.1751 124.5182 53.1535 44.8205 175.7519 108 L 4.7937 8.6192 123.8776 52.7102 45.4814 175.5693 109 L 4.4595 8.0929 121.4812 53.0283 42.7128 176.1542 110 P 4.0912 0.0000 0.0000 65.4894 31.6103 178.2404 111 E 3.7936 8.3732 118.2897 58.4824 29.6039 177.0751 112 L 4.6949 7.9127 116.4217 54.5257 43.1183 176.2128 113 S 5.0713 7.3612 115.6277 56.7488 65.2433 173.6495 114 F 4.7073 8.4159 120.9361 55.4880 41.8212 174.9150 115 M 4.4121 9.1425 125.6549 55.9828 32.8506 177.3801 116 T 3.6522 8.4421 111.8149 61.3289 69.4812 173.1851 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 8.42 4.64 0.00 2.70 2.91 0.00 0.00 7.05 7.59 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 3 D 7.91 4.45 0.00 2.79 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 4 C 8.50 4.43 0.00 2.83 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 5 V 8.49 3.74 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 1.04 0.00 0.00 0.92 0.00 0.00 6 L 7.82 3.81 0.00 1.72 1.57 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.12 4.43 0.00 2.98 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 8 V 7.84 3.71 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 0.77 0.00 0.00 0.93 0.00 0.00 9 M 8.27 4.33 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 10 H 8.59 4.49 0.00 3.33 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.08 4.04 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 12 I 7.77 3.71 2.02 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 1.42 1.18 0.92 0.00 0.00 13 Y 8.36 4.01 0.00 3.15 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 14 Q 8.56 3.97 0.00 2.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 15 Q 7.94 4.02 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 16 N 8.02 4.54 0.00 2.82 2.74 0.00 0.00 6.65 6.80 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 17 K 7.86 3.70 0.00 1.32 1.66 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 18 E 7.79 3.77 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 19 H 7.95 3.98 0.00 3.34 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.07 4.19 0.00 3.03 3.11 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 21 Q 7.75 2.67 0.00 1.63 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 22 D 8.18 4.56 0.00 2.67 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 23 E 7.68 4.25 0.00 1.99 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 2.23 2.21 0.00 24 C 7.89 4.34 0.00 3.13 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 25 T 8.10 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 26 K 7.53 4.04 0.00 1.90 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 27 L 7.78 4.41 0.00 1.78 1.62 0.92 0.84 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 28 L 8.21 4.67 0.00 1.64 1.68 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.43 4.21 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 0.85 0.00 0.00 0.93 0.00 0.00 30 G 9.40 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.26 4.70 0.00 2.47 2.71 0.00 0.00 6.92 6.80 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 32 I 8.21 5.05 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 1.34 1.21 0.91 0.00 0.00 33 V 8.93 5.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.01 0.00 0.00 34 I 8.35 5.23 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 1.20 1.87 0.91 0.00 0.00 35 T 8.39 4.96 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 1.21 0.00 0.00 36 R 9.02 3.94 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 37 Y 7.92 4.38 0.00 2.91 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 38 N 6.97 4.59 0.00 2.65 2.83 0.00 0.00 7.12 6.91 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 39 N 8.29 4.23 0.00 2.81 2.75 0.00 0.00 6.82 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 40 R 7.24 4.52 0.00 1.62 1.82 0.00 3.20 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 41 T 7.56 5.26 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 1.21 0.00 0.00 42 Y 7.86 4.69 0.00 2.70 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 43 R 8.43 4.66 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 44 I 8.64 4.24 2.02 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 1.18 0.59 0.87 0.00 0.00 45 D 9.01 4.84 0.00 2.59 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 46 D 7.26 4.37 0.00 2.63 2.40 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 47 V 8.17 4.44 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 0.80 0.00 0.00 0.93 0.00 0.00 48 D 8.76 4.53 0.00 2.55 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 49 W 8.75 4.36 0.00 3.33 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 50 N 8.31 4.79 0.00 2.93 2.91 0.00 0.00 6.80 7.63 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 51 K 7.66 4.76 0.00 1.83 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 0.95 7.81 52 T 7.82 4.98 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 53 P 0.00 4.59 0.00 2.29 2.18 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 54 K 8.09 4.16 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.67 7.81 55 D 8.57 4.81 0.00 3.10 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 56 S 8.57 5.09 0.00 3.67 3.58 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 57 F 8.04 4.99 0.00 2.95 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 58 T 8.51 4.63 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 1.21 0.00 0.00 59 M 9.03 4.49 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 60 S 8.77 4.11 0.00 3.98 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 61 D 7.99 4.56 0.00 2.79 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 62 G 7.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.95 3.99 0.00 1.83 1.63 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.36 7.81 64 E 8.57 4.83 0.00 1.78 1.70 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 2.13 2.21 0.00 65 I 7.54 4.54 1.57 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 1.28 1.43 -0.01 0.00 0.00 66 T 8.23 4.78 4.32 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 1.26 0.00 0.00 67 F 8.83 4.53 0.00 3.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.25 0.00 1.76 1.83 0.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.43 4.09 0.00 1.99 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 2.19 0.00 70 Y 8.29 4.18 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 71 Y 8.55 4.07 0.00 3.24 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 72 S 8.15 4.36 0.00 3.95 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 73 K 7.92 3.99 0.00 1.90 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 N 7.58 4.35 0.00 1.90 1.42 0.00 0.00 6.83 6.93 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 75 Y 7.47 4.66 0.00 2.96 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 76 G 8.04 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 77 I 7.66 4.25 1.95 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 1.41 1.18 0.88 0.00 0.00 78 T 8.32 4.48 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 1.24 0.00 0.00 79 V 8.45 3.85 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 0.78 0.00 0.00 0.91 0.00 0.00 80 K 9.31 4.01 0.00 1.83 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.25 7.81 81 E 8.12 4.46 0.00 1.99 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 2.21 2.14 0.00 82 E 8.71 4.32 0.00 1.98 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 2.35 2.32 0.00 83 D 8.02 5.03 0.00 2.66 2.52 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 84 Q 7.75 4.23 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 85 P 0.00 4.97 0.00 1.55 1.98 0.00 3.26 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 86 L 7.96 4.68 0.00 1.38 1.29 0.32 0.29 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 87 L 8.66 4.52 0.00 1.39 1.44 0.80 0.58 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 88 I 8.59 4.70 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 1.11 0.73 0.85 0.00 0.00 89 H 8.88 5.07 0.00 3.34 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.24 4.74 0.00 1.99 1.80 0.00 3.32 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 91 P 0.00 4.46 0.00 2.16 2.02 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 92 S 8.61 4.50 0.00 3.66 3.78 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 93 E 7.73 4.83 0.00 1.93 1.74 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 2.14 1.87 0.00 94 R 7.82 4.50 0.00 1.72 1.95 0.00 3.22 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 0.00 95 Q 7.72 5.04 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 96 D 8.06 4.74 0.00 2.66 2.42 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 97 N 8.26 4.52 0.00 2.67 2.61 0.00 0.00 6.52 7.79 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 *101 L 7.79 4.33 0.00 1.68 1.56 0.92 0.91 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 0.00 102 L 9.42 4.71 0.00 1.56 1.72 0.94 0.83 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 0.00 103 K 7.64 4.57 0.00 1.94 1.65 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.00 7.81 104 G 8.35 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.27 4.37 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 106 I 8.71 4.19 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.67 0.00 0.00 107 L 8.18 5.10 0.00 1.37 1.33 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.62 4.79 0.00 1.39 1.40 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.09 4.46 0.00 1.34 1.54 0.41 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.09 0.00 2.06 1.98 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 111 E 8.37 3.79 0.00 1.94 1.85 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 2.25 2.22 0.00 112 L 7.91 4.69 0.00 1.81 1.93 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.36 5.07 0.00 3.55 3.72 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 0.00 114 F 8.42 4.71 0.00 3.04 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 0.00 115 M 9.14 4.41 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.13 0.00 116 T 8.44 3.65 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.