NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5030 8.3349 117.0975 57.7318 64.0755 173.5080 9 T 3.5841 8.2911 121.2659 62.0117 68.9630 170.1803 10 E 4.2450 9.0086 127.4577 55.0832 32.0548 174.3268 11 W 5.3299 8.6251 126.7496 55.3521 31.7665 175.5838 12 V 4.8821 9.2323 116.8205 59.2256 35.2625 174.9034 13 D 4.8615 8.3934 122.9333 54.7240 41.5133 175.8746 14 I 4.7551 9.0678 124.1779 59.6743 39.8277 175.1229 15 V 5.0423 8.5716 120.3252 59.5889 34.8993 175.9961 16 N 4.8254 8.6390 120.8490 51.7070 39.3440 175.4604 17 E 4.0656 8.6707 114.9244 59.1154 29.7871 177.1602 18 E 4.2307 8.1550 117.5214 55.3861 29.6805 175.1413 19 N 3.8397 7.7536 116.1696 54.3871 37.9202 173.5479 20 E 4.4509 7.6593 114.8205 54.0436 31.3880 175.9684 21 V 4.1047 8.3339 123.6063 63.1317 31.7278 175.3126 22 I 4.6017 8.5289 119.9126 60.7625 39.1256 174.8743 23 A 4.6989 7.6255 123.2559 51.2159 22.8215 174.6240 24 Q 5.0453 8.5452 119.1864 54.5695 32.1606 173.9693 25 A 5.2100 9.1245 126.7597 49.8553 23.2259 175.4677 26 S 4.0817 8.8249 113.7642 58.1779 63.3460 174.3384 27 R 3.8475 8.4513 122.7613 59.8705 29.9893 177.5505 28 E 3.9884 8.2605 119.2522 59.4149 29.9219 179.5078 29 Q 3.9001 7.9090 117.2889 56.6317 28.2452 177.8735 *31 R 4.1352 8.1275 117.2817 55.6275 32.0942 177.8870 32 A 3.9975 7.9678 119.9366 54.8156 18.4105 178.1499 33 Q 4.2340 8.1291 111.8820 55.2874 29.7534 175.0321 34 C 4.0322 7.3136 117.4105 60.2624 30.1592 172.7166 35 L 4.3841 7.3718 118.7577 53.9976 43.0963 177.3495 36 R 4.5625 8.5067 122.7524 57.0785 31.3680 175.1255 37 H 5.3573 8.9969 120.8878 54.6722 32.7630 171.7470 38 R 5.5993 8.9701 115.1675 54.1636 33.1231 175.3349 39 A 5.2250 8.4436 122.2513 50.7176 22.8384 174.9128 40 T 5.1385 8.6933 109.8146 60.5675 71.8945 173.6074 41 Y 4.8888 9.2139 120.2884 56.6151 41.7684 174.5036 42 I 4.7815 8.7925 126.7484 59.1732 39.7988 175.6157 43 V 3.6433 8.4958 129.1608 62.5477 32.3128 175.1926 44 V 4.5738 8.1127 129.8142 62.0811 32.6281 174.2815 45 H 5.8749 9.1727 123.4057 54.0484 32.1451 173.7737 46 D 4.5028 8.9215 117.5473 52.5798 39.9454 176.1748 47 G 3.6191 7.9382 106.9574 47.0457 0.0000 174.7114 *49 G 3.9470 7.9328 104.4389 44.4441 0.0000 172.5627 50 K 5.0476 8.5949 119.2209 54.4756 36.0318 174.9908 51 I 5.0445 9.0500 123.1616 59.4638 40.2138 174.8508 52 L 3.8339 8.8978 129.8135 54.4887 41.9108 176.1976 53 V 4.3551 8.5762 127.6065 61.8923 33.7328 174.7626 54 Q 4.7577 8.7662 124.2030 54.0393 32.6403 174.2793 55 R 4.2218 8.9434 126.2321 55.4508 31.5198 175.7927 56 R 4.3677 8.4327 126.0581 56.0620 31.0813 176.2116 57 T 4.0967 8.3948 118.3684 62.3219 68.0348 175.0484 58 E 3.9916 8.8259 126.3050 59.3289 29.7864 177.9222 59 T 4.3386 7.8291 107.4204 61.3995 68.8935 174.2387 60 K 4.4168 7.4668 121.1108 55.8913 33.6642 176.3018 61 D 4.2861 7.9355 120.0827 55.8556 39.7837 176.1662 62 F 4.7927 7.9268 121.9235 56.4079 41.8112 175.6045 63 L 3.3654 8.1052 128.8769 55.0605 38.8590 172.9598 64 P 4.2371 0.0000 0.0000 63.8049 33.0240 176.4477 65 G 3.4056 7.9472 106.0672 46.0401 0.0000 173.7933 *67 L 3.9261 7.3028 116.9802 54.3731 43.3658 176.2414 68 D 5.1789 8.7619 122.4124 52.5903 42.5281 177.3096 69 A 4.4094 9.0675 126.9524 53.5519 18.9015 177.2374 70 T 4.6480 7.4154 104.2522 59.3376 72.1483 173.5811 71 A 4.4897 7.8185 125.9384 51.0673 19.3898 175.7984 72 G 4.0209 7.7825 104.6986 45.4995 0.0000 172.7373 73 G 3.7780 7.6150 104.3236 45.7574 0.0000 171.5485 74 V 4.1389 8.1748 120.0332 62.8139 32.5548 177.1477 75 V 3.9876 8.6000 128.2979 62.2494 32.5918 175.7488 76 Q 4.6925 9.4658 127.3877 54.4848 30.7817 175.3486 77 A 4.4225 8.6413 124.3550 54.1942 18.6112 177.6710 78 D 4.5328 9.0220 121.1082 54.8138 39.2187 174.0791 79 E 4.3797 8.0393 119.8425 56.1049 30.4110 176.5505 80 Q 4.2867 9.1506 122.2026 55.1847 30.9535 177.5916 81 L 4.1005 8.4805 123.2287 58.1230 41.8187 179.7920 82 L 3.8332 8.0216 119.9369 58.0397 42.1364 178.5941 83 E 3.9036 8.1397 117.2029 59.2516 29.2839 179.0367 84 S 4.2680 8.3992 115.1838 60.6555 62.4897 175.6987 85 A 4.1260 7.9379 124.9416 54.7387 18.0155 179.8931 86 R 3.7646 8.0790 116.4176 59.1979 29.9862 179.2370 87 R 3.8565 8.1299 118.6210 59.4689 29.9925 178.4668 88 E 3.9189 8.3417 118.0796 59.4071 29.4073 179.1577 89 A 4.0064 8.2696 120.9408 55.0799 18.4463 179.3654 90 E 4.1746 8.1484 119.1198 59.0554 29.5571 178.9358 91 E 3.9798 8.2802 117.7147 59.4516 29.5946 178.8274 92 E 4.2062 8.3515 117.7490 58.1158 30.0043 177.4776 93 L 4.6178 8.1423 115.9839 53.2757 43.6562 177.6792 94 G 4.1113 8.2214 106.6232 46.0450 0.0000 173.3959 95 I 4.4450 7.5239 112.2029 59.0636 39.5172 174.4090 96 A 4.4644 8.1969 123.9716 52.1809 21.8741 176.5561 97 G 3.7970 8.7045 109.0641 45.7286 0.0000 173.4782 98 V 3.9134 7.4212 119.3305 60.9931 32.2109 174.1414 99 P 4.3831 0.0000 0.0000 63.1925 31.7722 175.3185 100 F 5.4873 8.7946 120.0665 55.8410 41.4198 174.6869 101 A 4.6874 9.4155 126.3122 51.2040 20.5028 175.6995 102 E 4.6293 8.7154 120.4529 54.7965 31.5072 175.8345 103 H 4.8192 8.4270 121.5725 55.5910 29.5952 175.5189 104 G 3.8420 8.4218 107.6016 45.9443 0.0000 172.7784 105 Q 5.4446 8.5013 119.8271 54.6874 33.4876 174.3643 106 F 5.1279 9.0546 114.1566 56.1829 41.6601 172.2317 107 Y 4.3651 8.3731 121.0425 55.5508 40.5773 174.4531 108 F 4.6296 7.9324 128.0492 56.2618 43.0731 173.2357 109 E 4.6632 7.1050 125.3531 54.9837 32.3986 173.6950 110 D 4.6745 8.3872 127.5387 52.0472 41.6277 176.0792 111 K 3.9647 8.8254 116.0068 60.1609 32.8684 177.6319 112 N 4.7958 8.1012 115.3210 54.4301 39.3306 174.4684 113 C 4.7206 7.5572 110.6126 57.4766 32.7347 173.1050 114 R 4.8419 8.1935 119.2471 54.6892 33.6771 174.6144 115 V 4.8333 8.2563 123.8593 59.9575 35.4968 174.1937 116 W 4.7881 9.5021 125.7615 55.7622 29.9472 175.4449 117 G 3.9685 8.6324 113.5373 44.7614 0.0000 171.2483 118 A 5.2034 9.0030 126.0317 50.0677 21.4168 175.3074 119 L 5.3101 8.7606 125.3189 53.6473 44.3388 175.3847 120 F 5.6629 9.5240 124.1471 56.0673 44.0090 173.4989 121 S 5.0568 9.2187 113.4641 57.6347 66.6949 172.7334 122 C 5.0558 9.0800 114.8179 57.3404 33.3288 172.6187 123 V 5.2400 8.3121 120.1140 60.8176 32.3894 174.8477 124 S 4.6652 8.7632 121.5061 56.9968 65.5975 172.9855 125 H 5.1054 8.9760 121.6886 55.5059 29.2452 175.8786 126 G 2.6470 7.4987 108.5321 43.4062 0.0000 172.0785 127 P 4.1287 0.0000 0.0000 62.4618 31.9429 175.4304 128 F 5.1954 8.2895 118.8204 55.8454 41.0213 174.9778 129 A 4.6559 8.9187 126.2624 50.5419 19.8967 176.2107 130 L 4.8214 8.5022 121.6536 54.0405 44.3897 176.3316 131 Q 4.6292 8.2113 118.9331 53.7843 31.2387 176.9865 132 E 3.9547 8.9530 121.2456 58.7162 29.6971 177.2625 133 D 4.6694 7.9833 116.7109 53.4530 40.6060 176.0525 134 E 4.4731 7.9516 118.4533 57.6725 31.2791 176.0151 135 V 4.8507 7.9087 109.9825 59.7986 35.5641 175.4994 136 S 4.6289 8.1463 115.8434 58.4885 64.2339 173.7165 137 E 4.7963 7.2929 118.6605 55.7483 32.4254 174.8514 138 V 4.8452 8.3212 117.9323 59.9624 35.7338 174.5710 139 C 4.6104 8.3432 122.0665 57.9643 35.4526 172.8946 140 W 5.0268 8.8159 126.5029 56.6762 29.5041 175.6374 141 L 5.2710 9.3214 124.6519 52.8725 45.8004 176.6388 142 T 4.5891 9.2200 112.4921 60.8254 69.7906 173.9720 143 P 4.2539 0.0000 0.0000 65.6131 31.2645 178.9243 144 E 4.0667 8.0077 117.5789 58.8955 29.5164 178.7473 145 E 4.0007 8.3941 119.0777 59.0978 29.7975 179.1615 146 I 3.7324 7.9179 119.9776 64.5960 36.9467 178.5615 147 T 3.7440 7.9260 110.3295 64.8034 68.2499 176.1893 148 A 4.1238 8.0420 122.2855 53.6766 18.5001 178.0448 149 R 4.7210 7.8679 116.9868 55.9746 31.2244 177.9178 150 C 4.2798 8.2371 115.9516 61.2200 29.8176 175.2976 151 D 4.4384 8.2226 119.2784 57.0251 40.4425 177.1357 152 E 4.1597 8.4339 117.2932 57.2562 29.9331 176.4834 153 F 4.8015 7.9011 117.9444 55.3867 40.9917 175.8553 154 T 3.9719 8.7605 115.3676 61.1622 69.1268 173.8495 155 P 4.3196 0.0000 0.0000 65.3684 31.3434 178.4807 156 D 3.3700 7.5177 119.4027 55.9772 39.4356 178.5306 157 S 4.2081 7.5866 116.1681 61.0263 62.8961 176.5335 158 L 3.8314 7.7061 122.3061 57.2379 41.3026 179.2522 159 K 3.6857 7.7627 119.4432 59.2071 32.1257 178.5892 160 A 3.1567 7.4816 121.1020 54.8597 18.0406 179.3012 161 L 3.8966 7.6616 117.1055 58.2679 42.2386 178.5961 162 A 4.0960 7.7858 119.4914 55.2400 18.5922 179.3007 163 L 4.0485 7.6944 117.3915 57.4207 41.3917 180.1582 164 W 4.2017 7.6932 124.7489 57.8519 30.7966 176.5560 *166 K 4.1421 7.9312 118.7561 55.8882 33.0363 176.6754 167 R 4.0473 8.2164 120.3117 55.6848 28.2639 176.5102 168 N 4.1930 8.3662 118.9450 53.3438 38.3900 175.0719 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 8 S 8.33 4.50 0.00 3.65 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 9 T 8.29 3.58 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 0.04 0.00 0.00 10 E 9.01 4.24 0.00 1.93 1.65 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 2.26 2.29 0.00 11 W 8.63 5.33 0.00 3.38 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 12 V 9.23 4.88 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 0.83 0.00 0.00 1.01 0.00 0.00 13 D 8.39 4.86 0.00 2.68 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 14 I 9.07 4.76 1.93 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 1.46 1.18 1.00 0.00 0.00 15 V 8.57 5.04 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 0.80 0.00 0.00 1.17 0.00 0.00 16 N 8.64 4.83 0.00 2.92 3.00 0.00 0.00 6.95 7.17 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 17 E 8.67 4.07 0.00 2.07 2.11 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 2.28 2.27 0.00 18 E 8.16 4.23 0.00 1.90 1.90 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 2.25 2.20 0.00 19 N 7.75 3.84 0.00 1.44 2.03 0.00 0.00 7.03 7.26 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 20 E 7.66 4.45 0.00 2.02 1.79 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 2.24 2.32 0.00 21 V 8.33 4.10 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 0.86 0.00 0.00 0.94 0.00 0.00 22 I 8.53 4.60 1.88 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 1.19 0.88 0.95 0.00 0.00 23 A 7.63 4.70 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 24 Q 8.55 5.05 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 A 9.12 5.21 1.28 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 0.00 0.00 26 S 8.82 4.08 0.00 3.48 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 27 R 8.45 3.85 0.00 1.70 1.87 0.00 3.19 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 28 E 8.26 3.99 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 29 Q 7.91 3.90 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.16 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 *31 R 8.13 4.14 0.00 1.85 1.96 0.00 3.12 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 32 A 7.97 4.00 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 33 Q 8.13 4.23 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 34 C 7.31 4.03 0.00 3.07 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 35 L 7.37 4.38 0.00 1.71 1.63 0.96 1.02 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 36 R 8.51 4.56 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 37 H 9.00 5.36 0.00 3.32 3.40 0.00 5.27 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.97 5.60 0.00 1.85 1.94 0.00 3.41 0.00 0.00 3.36 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 39 A 8.44 5.22 1.11 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 0.00 0.00 40 T 8.69 5.14 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 1.41 0.00 0.00 41 Y 9.21 4.89 0.00 3.25 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 42 I 8.79 4.78 1.65 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 0.59 0.73 0.22 0.00 0.00 43 V 8.50 3.64 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 0.00 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 44 V 8.11 4.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.78 0.00 0.00 45 H 9.17 5.87 0.00 3.51 3.20 0.00 5.49 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 46 D 8.92 4.50 0.00 2.37 1.54 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 47 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 G 7.93 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 0.00 0.00 0.00 50 K 8.59 5.05 0.00 1.89 1.99 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.38 7.81 51 I 9.05 5.04 1.92 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 1.34 1.17 0.91 0.00 0.00 52 L 8.90 3.83 0.00 0.27 0.90 -0.54 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.58 4.36 2.23 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 0.97 0.00 0.00 1.13 0.00 0.00 54 Q 8.77 4.76 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 55 R 8.94 4.22 0.00 1.73 1.71 0.00 3.02 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 56 R 8.43 4.37 0.00 1.80 1.78 0.00 3.31 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 57 T 8.39 4.10 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 1.23 0.00 0.00 58 E 8.83 3.99 0.00 1.97 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 2.27 2.21 0.00 59 T 7.83 4.34 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 60 K 7.47 4.42 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.56 7.81 61 D 7.94 4.29 0.00 2.86 2.82 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 62 F 7.93 4.79 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.11 3.37 0.00 1.31 1.36 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 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3.59 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 115 V 8.26 4.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 116 W 9.50 4.79 0.00 3.41 3.21 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 0.00 117 G 8.63 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.00 5.20 1.41 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 0.00 0.00 0.00 119 L 8.76 5.31 0.00 2.08 1.65 1.13 1.17 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 0.00 120 F 9.52 5.66 0.00 2.71 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 0.00 121 S 9.22 5.06 0.00 3.72 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 0.00 122 C 9.08 5.06 0.00 3.28 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.92 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 0.00 140 W 8.82 5.03 0.00 3.29 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 0.00 141 L 9.32 5.27 0.00 1.63 1.59 1.09 0.65 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 0.00 142 T 9.22 4.59 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 143 P 0.00 4.25 0.00 2.20 2.19 0.00 3.65 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 144 E 8.01 4.07 0.00 2.16 2.20 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 2.37 2.21 0.00 145 E 8.39 4.00 0.00 2.14 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 2.39 2.39 0.00 146 I 7.92 3.73 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 -0.06 0.00 0.00 147 T 7.93 3.74 4.20 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 1.19 0.00 0.00 148 A 8.04 4.12 1.41 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 0.00 0.00 0.00 149 R 7.87 4.72 0.00 2.11 2.21 0.00 3.19 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 150 C 8.24 4.28 0.00 3.10 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 0.00 151 D 8.22 4.44 0.00 2.72 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 0.00 152 E 8.43 4.16 0.00 1.98 1.77 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 2.28 2.29 0.00 153 F 7.90 4.80 0.00 3.09 2.96 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 0.00 154 T 8.76 3.97 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 1.24 0.00 0.00 155 P 0.00 4.32 0.00 2.47 2.43 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 156 D 7.52 3.37 0.00 2.55 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 0.00 0.00 0.00 157 S 7.59 4.21 0.00 4.40 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 0.00 158 L 7.71 3.83 0.00 1.82 1.64 0.96 0.42 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 0.00 159 K 7.76 3.69 0.00 1.74 1.57 0.00 1.98 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.87 1.30 7.81 160 A 7.48 3.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.66 3.90 0.00 1.56 1.76 1.00 0.86 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 0.00 162 A 7.79 4.10 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 0.00 163 L 7.69 4.05 0.00 1.64 1.64 0.48 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 164 W 7.69 4.20 0.00 3.17 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *166 K 7.93 4.14 0.00 1.86 1.91 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.41 7.81 167 R 8.22 4.05 0.00 1.74 1.87 0.00 3.43 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 168 N 8.37 4.19 0.00 2.64 2.68 0.00 0.00 7.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.