NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.0358 8.2644 123.5627 51.7500 19.9662 175.8667 3 D 4.4224 7.9444 119.1135 52.6550 40.7148 175.5731 4 K 4.0329 9.4720 128.2604 58.6537 33.1482 177.6855 5 E 4.5369 8.2001 117.0301 55.5960 29.8709 176.0509 6 L 3.8093 7.7456 121.5162 55.7380 42.6171 176.0496 7 K 4.6674 8.6439 126.9914 55.8042 33.3468 175.2997 8 F 5.3217 9.6573 127.0504 56.1322 41.8218 174.6920 9 L 5.1258 9.1009 123.3618 53.4454 44.8448 175.1844 10 V 4.7046 9.1673 127.4768 61.4713 33.1431 174.3867 11 V 4.8802 8.7508 129.1245 61.4841 33.6754 173.8506 12 D 4.6885 8.8321 125.1622 53.7510 44.7782 175.9659 13 D 4.7456 8.9955 122.4068 53.8251 40.3509 176.6118 14 F 4.5471 8.8424 121.4128 56.0726 39.9830 176.3706 15 S 4.2144 8.7405 120.4236 61.8700 62.7495 176.4970 16 T 3.8796 8.0734 118.7822 66.6823 68.2403 176.0237 17 M 4.0126 8.0969 119.6045 58.5784 32.2792 178.3150 18 R 3.9595 8.0993 118.3301 59.1431 30.2093 178.8368 19 R 3.8707 8.1141 118.4497 59.5620 29.9979 178.2421 20 I 3.6095 7.7330 119.3948 64.6306 37.1037 178.4096 21 V 3.6118 7.7990 118.6084 66.0716 31.2818 177.9665 22 R 3.8405 8.2078 118.4937 59.5144 29.8515 178.0579 23 N 4.3285 8.3783 116.9337 56.6030 38.8188 176.8718 24 L 4.0058 8.2972 120.8676 57.6890 41.6828 179.4893 25 L 3.9672 8.1054 119.0641 57.6012 41.4713 179.2775 26 K 3.8525 8.3646 119.9799 59.6779 31.8721 178.1155 27 E 3.9113 8.2487 118.4644 59.2437 29.5890 178.0706 28 L 4.3680 7.5155 115.8341 54.8249 41.9993 177.4820 29 G 3.6188 8.1750 107.7586 45.4657 0.0000 174.0080 30 F 4.8759 7.9699 119.1312 55.2426 38.1035 175.4503 31 N 4.5910 8.5347 122.7950 54.0275 39.3277 175.6924 32 N 4.8018 8.1058 117.8341 52.5127 38.7032 173.0449 33 V 5.2110 8.1553 123.1543 60.9044 35.1381 173.7565 34 E 5.0427 9.6449 125.5334 54.7200 34.0160 174.3389 35 E 5.4226 8.8617 119.2105 54.7315 33.1549 175.4274 36 A 5.0106 9.0073 123.6152 50.3600 22.6120 176.7020 37 E 4.6890 10.0369 117.7819 55.9189 30.6255 175.2769 38 D 4.6165 7.3404 118.8926 51.7914 42.7637 176.5929 39 G 3.5572 8.2501 106.4182 47.7964 0.0000 176.0211 40 V 3.5424 7.7802 119.9980 65.9125 31.6823 177.3725 41 D 4.2638 8.5708 117.5512 57.3182 41.0577 177.9948 42 A 3.9170 8.2560 121.4975 55.2083 18.3011 179.6818 43 L 3.9165 7.9472 117.4057 57.8735 41.4717 179.1952 44 N 4.2865 8.1046 115.6194 56.4771 38.8356 177.3258 45 K 4.2141 8.1186 119.4595 59.5840 32.2772 179.5970 46 L 4.1615 8.3452 119.3927 57.7526 41.2204 179.5565 47 Q 4.1108 8.2054 117.1728 58.4581 28.6540 178.0801 48 A 4.1716 7.9018 121.4459 52.3603 18.5565 178.7552 49 G 3.9121 7.4030 101.2994 46.6869 0.0000 173.8135 50 G 3.8189 8.6518 105.6672 45.3881 0.0000 173.3896 51 Y 4.2851 7.6886 116.7404 57.5957 38.5898 175.4331 52 G 4.1788 8.8423 109.0425 45.9073 0.0000 172.5982 53 F 4.7171 7.6532 120.5739 57.0821 42.9284 172.5437 54 V 4.9355 8.2805 124.8032 61.1791 34.8725 174.2295 55 I 5.0168 9.0975 127.8446 59.9629 40.0008 173.0724 56 S 5.1883 8.6758 126.6984 56.5436 65.6791 174.2572 *58 W 4.8325 8.7610 124.0253 57.3021 32.8924 175.9771 59 N 5.0645 8.3723 117.6627 52.0686 38.6403 174.3452 60 M 4.9765 8.0989 122.0722 52.7971 36.2081 173.2853 61 P 4.3832 0.0000 0.0000 63.4866 32.4436 175.6641 62 N 4.4659 9.0508 120.4590 54.0276 37.0440 174.9647 63 M 4.4555 7.2853 119.0812 53.0394 34.5533 174.2054 64 D 4.8399 8.4577 127.0768 52.3153 42.2666 177.1107 65 G 3.5239 8.4421 106.2250 47.8404 0.0000 175.6676 66 L 3.6853 7.0521 122.1277 57.7114 42.0750 178.5589 67 E 3.8234 8.4272 119.4747 58.9213 29.4753 178.4518 68 L 3.8634 7.9218 120.4999 57.9782 42.1351 178.6467 69 L 3.8950 7.9578 120.2300 58.2364 42.0883 179.0519 70 K 3.9311 8.2631 118.6345 59.7438 31.7268 179.4738 71 T 3.8245 7.7794 114.9287 66.6318 68.6792 176.4241 72 I 3.8274 7.9939 121.9672 64.6371 36.9724 178.8678 73 R 4.1457 7.9937 116.9817 58.5883 29.9367 178.0699 74 A 4.4026 7.5908 118.3051 51.4303 19.3435 176.3782 75 D 4.5261 7.6372 119.1895 52.7123 41.8584 176.5111 76 G 3.7748 8.9625 116.2630 49.0567 0.0000 174.3448 77 A 4.1008 8.0756 122.5063 53.9128 18.8038 178.0565 78 M 4.6835 8.1777 113.5552 54.9969 32.6825 177.6407 79 S 4.1716 8.0269 116.1739 60.9377 62.8544 175.2267 80 A 4.5824 7.6939 120.9192 51.3469 19.0968 175.7695 81 L 4.0239 7.6758 121.2072 55.7448 42.7595 175.4711 82 P 4.0973 0.0000 0.0000 62.6138 32.7761 175.4966 83 V 4.5393 8.4750 123.2870 61.1757 34.7912 173.5444 84 L 5.0393 9.2645 131.3617 53.7267 43.9537 174.8572 85 M 4.9641 9.0453 126.9796 54.8287 33.9099 174.6957 86 V 4.8014 8.8902 125.7362 61.4172 34.0646 174.5809 87 T 4.7905 8.5622 120.7266 60.6327 70.6770 174.2237 88 A 4.5412 8.7942 128.6582 53.1849 19.3532 177.1918 89 E 4.5026 7.8980 115.6981 54.0543 32.1387 174.6213 90 A 4.4744 8.6206 129.4146 51.4322 19.8769 176.9509 91 K 4.5591 8.1743 121.5582 53.3976 36.2896 176.9572 92 K 3.6960 8.6751 124.9620 59.9652 32.0355 178.6671 93 E 3.9222 8.0371 117.9578 59.4607 29.3852 179.0059 94 N 4.2737 7.8753 116.0343 56.1242 38.5123 177.3992 95 I 2.6071 7.1941 121.0838 63.9717 37.0778 178.5602 96 I 3.5694 7.7169 120.4338 64.3276 36.9783 178.1470 97 A 4.0436 8.1903 121.4930 55.3162 18.1583 179.6225 98 A 4.1728 8.3621 118.8541 55.2559 18.5647 179.5303 99 A 3.9334 8.0956 119.3927 55.6837 18.2615 179.8594 100 Q 3.9737 8.0429 114.7395 58.9644 28.9034 178.3209 101 A 4.3508 7.7979 118.6938 52.3327 18.5633 177.7050 102 G 3.7640 8.0258 105.3800 45.5844 0.0000 174.0641 103 A 4.1668 8.1002 122.5575 51.9028 18.9241 179.1954 104 S 4.2431 8.8019 118.7623 61.5795 63.6332 174.3549 105 G 4.1027 7.5916 104.5387 46.1303 0.0000 171.6281 106 Y 5.4280 8.5548 120.2317 55.8444 42.0481 174.4490 107 V 4.5012 8.5148 125.0203 59.8895 35.2250 174.3270 108 V 4.6590 8.4586 123.2060 61.9547 32.3934 175.1485 109 K 4.9706 8.9456 127.5505 54.3004 34.9150 174.5072 110 P 4.2022 0.0000 0.0000 62.5918 31.9734 175.4759 111 F 4.9930 7.3504 114.4418 54.7731 41.1503 174.4855 112 T 4.5116 8.2341 111.6980 60.0825 72.0985 175.4000 113 A 4.0400 8.4415 122.1428 55.3323 18.3434 179.6524 114 A 4.0161 8.0164 118.7872 55.4763 18.4853 179.9217 115 T 3.7703 8.0722 114.2821 66.6173 68.5911 176.4368 116 L 3.6135 8.0775 122.3802 58.1574 42.0731 178.3345 117 E 3.9158 8.7015 119.3217 59.5127 29.5172 178.3671 118 E 3.9167 8.0548 118.8574 59.2638 29.6637 178.9609 119 K 3.8639 7.9358 118.2309 59.4083 32.1246 179.2682 120 L 3.4842 8.0706 119.4546 57.8097 41.5444 179.3436 121 N 4.5283 8.5362 116.6245 56.3690 38.4992 177.3832 122 K 3.9968 8.0146 120.8927 59.4792 32.2081 179.0221 123 I 3.7842 7.5704 119.7338 64.1401 36.8594 178.1307 124 F 4.7020 8.2704 119.1287 60.8076 38.8512 177.2370 125 E 4.0172 8.4308 118.5524 59.4405 29.3026 178.5886 126 K 4.0431 7.9032 118.0810 59.0295 32.1539 177.5636 127 L 4.6178 7.9048 116.4214 52.8958 42.6149 176.6847 128 G 4.0497 8.2094 107.4306 46.7981 0.0000 173.8055 129 M 4.1930 9.7174 122.0195 55.2549 32.1016 176.8021 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 A 8.26 4.04 0.41 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 3 D 7.94 4.42 0.00 2.81 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 4 K 9.47 4.03 0.00 1.75 1.83 0.00 0.90 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.20 7.81 5 E 8.20 4.54 0.00 2.19 2.02 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 2.30 2.39 0.00 6 L 7.75 3.81 0.00 1.77 1.78 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.64 4.67 0.00 1.84 1.75 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.58 7.81 8 F 9.66 5.32 0.00 3.08 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 9 L 9.10 5.13 0.00 1.13 1.30 0.79 0.81 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 10 V 9.17 4.70 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 1.02 0.00 0.00 1.02 0.00 0.00 11 V 8.75 4.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 12 D 8.83 4.69 0.00 2.78 2.50 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 0.00 0.00 0.00 0.00 13 D 9.00 4.75 0.00 2.64 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 14 F 8.84 4.55 0.00 3.30 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 15 S 8.74 4.21 0.00 4.08 4.15 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 16 T 8.07 3.88 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 1.18 0.00 0.00 17 M 8.10 4.01 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.81 0.00 18 R 8.10 3.96 0.00 2.13 2.11 0.00 3.36 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 19 R 8.11 3.87 0.00 1.94 2.05 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 20 I 7.73 3.61 1.94 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 1.33 0.65 0.69 0.00 0.00 21 V 7.80 3.61 2.13 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 1.15 0.00 0.00 1.08 0.00 0.00 22 R 8.21 3.84 0.00 1.93 2.13 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 N 8.38 4.33 0.00 2.83 2.77 0.00 0.00 7.26 6.28 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 24 L 8.30 4.01 0.00 1.90 1.78 0.91 0.54 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 25 L 8.11 3.97 0.00 1.77 1.70 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.36 3.85 0.00 1.86 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.70 7.81 27 E 8.25 3.91 0.00 1.98 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 2.34 2.37 0.00 28 L 7.52 4.37 0.00 1.91 1.77 1.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.18 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 30 F 7.97 4.88 0.00 2.99 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 31 N 8.53 4.59 0.00 2.74 2.89 0.00 0.00 7.10 8.00 0.00 0.00 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 N 8.11 4.80 0.00 2.96 3.17 0.00 0.00 6.59 7.71 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 33 V 8.16 5.21 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 0.96 0.00 0.00 0.97 0.00 0.00 34 E 9.64 5.04 0.00 2.19 1.95 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 2.39 2.61 0.00 35 E 8.86 5.42 0.00 1.84 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 2.24 2.33 0.00 36 A 9.01 5.01 1.16 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 37 E 10.04 4.69 0.00 2.07 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 0.00 2.40 2.16 0.00 38 D 7.34 4.62 0.00 3.03 2.74 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 39 G 8.25 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.78 3.54 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 1.09 0.00 0.00 0.90 0.00 0.00 41 D 8.57 4.26 0.00 2.80 2.76 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 0.00 0.00 0.00 42 A 8.26 3.92 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 43 L 7.95 3.92 0.00 1.82 1.70 0.89 0.52 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 44 N 8.10 4.29 0.00 2.87 2.90 0.00 0.00 7.11 8.35 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 45 K 8.12 4.21 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.59 7.81 46 L 8.35 4.16 0.00 1.59 1.72 0.83 0.65 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 47 Q 8.21 4.11 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 48 A 7.90 4.17 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 49 G 7.40 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 50 G 8.65 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 51 Y 7.69 4.29 0.00 3.05 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 52 G 8.84 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 53 F 7.65 4.72 0.00 2.59 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 0.00 0.00 0.00 54 V 8.28 4.94 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 0.91 0.00 0.00 0.85 0.00 0.00 55 I 9.10 5.02 2.05 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 1.39 1.16 1.02 0.00 0.00 56 S 8.68 5.19 0.00 3.89 3.64 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 *58 W 8.76 4.83 0.00 3.55 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 59 N 8.37 5.06 0.00 2.88 2.85 0.00 0.00 6.66 7.66 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 60 M 8.10 4.98 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 61 P 0.00 4.38 0.00 2.14 2.02 0.00 3.85 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 1.93 1.91 0.00 62 N 9.05 4.47 0.00 2.87 2.97 0.00 0.00 6.62 7.66 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 63 M 7.29 4.46 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 64 D 8.46 4.84 0.00 2.96 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 65 G 8.44 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 L 7.05 3.69 0.00 0.61 1.27 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.43 3.82 0.00 1.96 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 2.25 2.25 0.00 68 L 7.92 3.86 0.00 1.74 1.78 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.96 3.89 0.00 1.86 1.89 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.26 3.93 0.00 1.89 1.82 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 71 T 7.78 3.82 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 1.18 0.00 0.00 72 I 7.99 3.83 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.89 0.00 0.00 73 R 7.99 4.15 0.00 1.89 1.98 0.00 3.30 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 74 A 7.59 4.40 1.36 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 0.00 0.00 0.00 75 D 7.64 4.53 0.00 2.84 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 76 G 8.96 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 77 A 8.08 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.18 4.68 0.00 2.08 2.02 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 2.63 2.44 0.00 79 S 8.03 4.17 0.00 4.12 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 0.00 80 A 7.69 4.58 1.25 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 0.00 0.00 0.00 81 L 7.68 4.02 0.00 1.81 1.51 0.90 0.78 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 82 P 0.00 4.10 0.00 0.49 1.39 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 83 V 8.47 4.54 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 0.93 0.00 0.00 0.87 0.00 0.00 84 L 9.26 5.04 0.00 2.04 1.74 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 M 9.05 4.96 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.26 0.00 86 V 8.89 4.80 2.16 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 0.99 0.00 0.00 1.03 0.00 0.00 87 T 8.56 4.79 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 0.74 0.00 0.00 88 A 8.79 4.54 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 89 E 7.90 4.50 0.00 1.92 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 2.20 2.22 0.00 90 A 8.62 4.47 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 91 K 8.17 4.56 0.00 1.64 1.61 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 92 K 8.68 3.70 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 93 E 8.04 3.92 0.00 2.10 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 2.41 2.46 0.00 94 N 7.88 4.27 0.00 2.31 1.42 0.00 0.00 7.14 7.39 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 95 I 7.19 2.61 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.18 0.55 0.00 0.00 96 I 7.72 3.57 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.49 0.90 0.00 0.00 97 A 8.19 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.36 4.17 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 0.00 0.00 0.00 0.00 0.00 99 A 8.10 3.93 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 0.00 100 Q 8.04 3.97 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 101 A 7.80 4.35 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 0.00 102 G 8.03 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.10 4.17 1.43 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 0.00 0.00 104 S 8.80 4.24 0.00 3.79 3.85 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 0.00 0.00 0.00 105 G 7.59 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.55 5.43 0.00 2.87 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 0.00 107 V 8.51 4.50 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.57 0.00 0.00 108 V 8.46 4.66 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 0.89 0.00 0.00 1.00 0.00 0.00 109 K 8.95 4.97 0.00 1.56 1.93 0.00 1.47 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.52 7.81 110 P 0.00 4.20 0.00 2.08 1.94 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 111 F 7.35 4.99 0.00 3.11 3.04 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 0.00 0.00 0.00 112 T 8.23 4.51 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 1.23 0.00 0.00 113 A 8.44 4.04 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 0.00 114 A 8.02 4.02 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 0.00 115 T 8.07 3.77 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 116 L 8.08 3.61 0.00 1.81 1.90 0.66 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.70 3.92 0.00 2.24 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 0.00 2.37 2.43 0.00 118 E 8.05 3.92 0.00 2.20 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 2.29 2.36 0.00 119 K 7.94 3.86 0.00 1.78 1.74 0.00 1.67 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.38 7.81 120 L 8.07 3.48 0.00 1.62 1.06 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.54 4.53 0.00 2.78 2.96 0.00 0.00 6.73 7.44 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 0.00 122 K 8.01 4.00 0.00 1.85 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 123 I 7.57 3.78 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.51 0.97 0.00 0.00 124 F 8.27 4.70 0.00 3.27 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 0.00 125 E 8.43 4.02 0.00 2.32 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 0.00 2.35 2.41 0.00 126 K 7.90 4.04 0.00 2.17 2.01 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 127 L 7.90 4.62 0.00 1.99 1.75 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.21 4.05 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 0.00 0.00 0.00 129 M 9.72 4.19 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.