NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9404 8.2127 109.7375 44.8533 0.0000 175.3945 7 K 3.8170 7.9471 122.2721 58.8670 32.2010 176.9886 8 N 4.3369 8.5224 118.3022 56.2619 38.9144 176.6444 9 A 4.1983 7.9830 121.7057 55.2182 18.4805 179.3656 10 E 3.9257 8.2048 116.8573 59.6353 29.4993 179.8074 11 R 3.8695 8.2187 118.2160 59.1281 30.0433 178.7177 12 E 3.9216 8.3467 119.1503 59.1729 29.6092 178.6889 13 L 3.1569 7.9622 120.4657 57.7505 41.9970 178.9286 14 V 3.4091 7.8078 118.4789 66.0946 31.3613 177.9053 15 S 4.0346 8.1106 112.7580 61.3472 62.2477 176.1876 16 I 3.6294 7.6969 122.5641 64.4018 36.7933 178.4337 17 L 3.8231 8.0635 120.1316 57.8050 41.3857 179.8523 18 R 4.7167 7.8447 119.9398 58.7731 29.7657 179.3078 19 G 3.6172 8.0368 104.7147 47.3753 0.0000 174.3781 20 E 4.1638 7.6748 118.6301 56.1286 29.7710 176.8797 21 G 3.8246 7.9824 106.1989 45.7505 0.0000 173.3719 22 F 4.4527 8.2348 118.9642 56.3583 40.8675 174.6685 23 N 4.7073 9.3536 122.4139 53.2456 39.5528 173.5861 24 A 5.0707 8.4072 127.4517 50.2516 22.4220 175.2810 25 V 4.3326 7.9956 113.4053 59.6288 36.4664 174.8321 26 R 4.4983 8.4693 123.1785 56.0370 31.1139 175.8284 27 I 4.4023 8.3824 124.7141 59.0597 38.2294 174.3964 28 P 4.3782 0.0000 0.0000 62.6938 31.9102 176.3525 29 T 3.8963 8.1278 118.0954 63.7199 68.5792 173.8316 *35 N 4.7041 8.1859 124.2847 53.0207 40.8341 173.3898 36 P 4.5072 0.0000 0.0000 63.7520 32.3756 175.9112 37 L 4.8177 7.3947 117.8767 51.8135 44.5726 174.2521 38 P 4.3904 0.0000 0.0000 62.6607 32.1065 176.5580 39 D 4.5886 8.6784 119.9223 57.3010 41.8127 176.6957 40 I 5.1778 7.8977 117.3503 59.4419 41.8758 174.5018 41 F 5.5257 8.4541 119.1072 55.3832 41.7152 173.5293 42 A 5.1912 8.8841 120.3841 51.1338 22.9838 175.3914 43 T 5.7811 9.2020 110.7547 59.0493 72.7896 173.0719 44 K 4.4045 8.4726 123.7053 54.9762 35.5599 175.3588 45 G 3.6343 8.7415 116.7569 47.3164 0.0000 173.2471 46 N 4.7545 8.7594 123.1737 53.2082 38.9605 172.9142 47 T 5.0446 7.9874 114.4516 61.7666 70.9328 173.2772 48 L 5.2224 9.0223 128.1416 53.3260 45.0680 174.8037 49 L 5.1664 9.4729 126.8446 53.3282 44.0862 175.5090 50 S 4.7745 8.9464 118.0542 56.7452 65.1884 172.4763 51 I 4.8634 8.6209 128.5582 59.4211 40.3272 174.2941 52 E 4.8210 9.2060 128.5911 54.9222 31.0952 173.8800 53 C 5.3696 9.4946 128.1655 57.7308 33.5255 173.0324 54 K 4.7348 9.1552 124.2138 54.8272 36.6283 175.0384 55 S 4.7034 8.3033 116.5604 56.8933 65.2619 172.8604 56 T 4.5610 8.1285 119.0481 61.1115 70.6386 174.0430 57 W 4.3920 8.8695 125.3868 57.3610 29.8750 176.5885 58 E 4.4446 8.2044 118.7973 55.9285 29.4277 176.0539 59 N 4.8567 8.5930 115.0696 52.7091 37.8266 174.2103 60 K 5.0809 7.5686 116.3373 56.5238 35.6490 175.4080 61 V 4.5532 9.0212 114.1516 59.7046 36.2436 174.0992 62 K 4.8748 8.6911 125.6518 55.0284 33.6611 175.4091 63 V 4.5277 8.7102 127.6834 60.9156 34.0656 175.4744 64 K 4.6778 9.4863 127.8571 55.7769 33.0221 177.4892 65 E 4.1529 9.8263 123.9511 59.3217 29.5065 179.2748 66 H 4.2946 8.2336 114.1926 58.4093 28.6286 177.5744 67 Q 3.8571 7.5474 120.6687 58.7510 28.6654 178.3825 68 V 3.5790 7.6548 119.1419 66.0282 31.5860 177.9509 69 R 3.9256 8.3203 118.7691 59.3621 29.8518 178.3665 70 K 4.0513 8.0397 119.1328 59.3750 32.2691 178.8000 71 L 4.2698 7.5810 120.6555 57.3502 41.5693 179.5744 72 L 4.0908 8.0520 118.8869 57.9488 41.3766 179.2561 73 D 4.4866 8.5167 119.4793 56.6187 40.9837 178.4032 74 F 4.3521 8.3844 121.2306 61.3995 39.5137 177.1156 75 L 4.1220 8.1358 118.6550 57.9108 41.5708 179.6503 76 S 4.2205 8.3328 113.7809 61.3339 62.5339 176.3046 77 M 3.9197 7.6137 121.5907 56.1147 31.8236 176.0952 78 F 4.8529 7.3450 116.6730 55.7824 42.4036 175.1896 79 T 4.5387 8.3214 112.0693 62.1125 68.7518 173.7798 80 M 4.7548 7.5999 119.3427 54.0905 35.9412 177.2756 81 K 4.1530 9.0650 120.3460 56.5138 32.7150 176.7993 82 G 4.2917 8.6329 112.9609 45.2353 0.0000 172.3969 83 V 4.6258 8.8924 123.1136 60.1089 34.1480 172.9662 84 P 5.0837 0.0000 0.0000 62.8551 33.1777 175.2563 85 L 4.9878 8.9651 121.1834 53.5224 46.6090 174.9152 86 I 4.8059 9.0853 124.8707 59.7650 39.1752 174.4022 87 A 5.1231 9.1645 130.0746 50.1809 21.4588 174.8761 88 I 4.5862 9.0927 123.8643 59.3209 40.7395 175.0494 89 K 3.3873 7.9828 129.1611 54.9352 32.5966 175.7336 90 F 4.7175 8.6683 128.9529 55.6758 37.8826 176.9478 91 K 3.5303 8.4917 126.8585 58.7067 31.9298 179.5131 92 Q 4.3980 7.8803 115.1727 57.9507 28.8721 176.8935 93 V 4.2170 7.5500 110.4004 60.2993 32.9150 174.8738 94 H 3.9521 7.8025 118.3418 56.3930 28.5652 174.1124 95 E 4.6969 7.1892 118.4051 54.7039 33.8608 174.2533 96 W 4.8639 8.8821 126.5046 56.3637 30.6748 175.5215 97 R 5.2658 9.4767 123.3458 54.6074 34.2237 174.7556 98 V 5.0804 9.1420 113.4380 59.7174 36.5887 174.3879 99 L 4.9006 8.8711 124.1083 53.3944 45.5905 175.4117 100 V 4.8105 8.6683 126.2127 59.8016 32.0944 173.6321 101 P 4.4313 0.0000 0.0000 62.9139 31.8635 176.3138 102 E 4.3236 8.7613 121.1993 57.8508 30.2510 176.3105 103 K 4.4836 7.5059 114.6992 54.8332 35.4429 175.6257 104 A 4.1051 8.4657 123.1338 52.6946 17.6499 176.5266 105 E 4.6895 8.0694 118.4745 55.9200 32.2413 174.2008 106 D 4.7755 8.5070 119.5226 54.5579 41.6236 176.3261 107 I 4.6186 8.8813 123.2947 59.6138 41.3784 174.4212 108 I 4.7426 8.4593 127.5970 59.9760 38.1212 175.2262 109 V 4.4035 8.9141 129.3634 62.1943 32.9047 175.0933 110 T 5.2025 9.4765 117.2257 58.5653 71.9933 175.1390 111 I 3.1442 7.8460 122.0681 64.3364 37.1434 177.8120 112 D 4.3933 7.9054 119.0673 56.4143 40.8352 176.6090 113 N 4.7533 8.0573 114.4209 52.3438 37.6308 174.2092 114 S 5.0945 7.4053 112.3933 56.8475 66.0784 173.0999 115 I 4.6889 8.4288 113.0277 58.0032 41.0822 173.1580 116 P 4.5644 0.0000 0.0000 63.3859 31.7938 177.3147 117 I 3.3836 8.9002 123.8012 64.1656 37.7932 178.2591 118 E 3.9480 7.9631 118.9973 59.2891 29.3011 178.8263 119 D 4.3602 7.8620 118.6493 57.1193 40.9223 178.2553 120 L 3.9373 7.5536 120.3772 58.3270 42.0412 179.0824 121 F 4.7013 8.1044 117.8112 60.4993 38.6540 177.5600 122 K 4.0083 8.3069 119.3782 59.6059 31.9860 179.0106 123 I 3.7862 7.8325 120.0586 64.4730 36.9904 178.5023 124 L 4.0970 8.5699 120.2423 57.5441 41.4036 179.1494 125 E 3.9376 8.5180 119.6807 59.2477 29.3475 179.0797 126 K 4.0151 7.6167 117.4504 59.6469 32.2136 179.3692 127 R 4.1018 7.9496 117.2821 59.1473 30.0154 178.8191 128 I 3.9375 7.9800 119.4565 63.7793 37.2395 176.1647 129 E 4.2215 8.0308 123.9501 56.4515 29.6467 176.0802 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 6 G 8.21 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 7 K 7.95 3.82 0.00 1.92 1.82 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.59 7.81 8 N 8.52 4.34 0.00 2.79 2.88 0.00 0.00 7.03 7.21 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 9 A 7.98 4.20 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 10 E 8.20 3.93 0.00 2.24 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 2.33 2.58 0.00 11 R 8.22 3.87 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 12 E 8.35 3.92 0.00 2.17 2.37 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 2.45 2.43 0.00 13 L 7.96 3.16 0.00 0.93 1.46 -0.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.81 3.41 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 0.96 0.00 0.00 0.86 0.00 0.00 15 S 8.11 4.03 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.70 3.63 1.75 0.00 0.00 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 1.45 0.82 0.95 0.00 0.00 17 L 8.06 3.82 0.00 1.66 1.55 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.84 4.72 0.00 1.90 1.93 0.00 3.09 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 19 G 8.04 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 20 E 7.67 4.16 0.00 1.53 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 1.47 2.10 0.00 21 G 7.98 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 22 F 8.23 4.45 0.00 3.01 2.92 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 23 N 9.35 4.71 0.00 2.74 2.71 0.00 0.00 6.73 8.58 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 24 A 8.41 5.07 1.05 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 25 V 8.00 4.33 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 0.61 0.00 0.00 0.06 0.00 0.00 26 R 8.47 4.50 0.00 1.65 1.82 0.00 3.31 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 27 I 8.38 4.40 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.96 0.00 0.00 28 P 0.00 4.38 0.00 2.05 2.00 0.00 3.72 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 2.05 2.13 0.00 29 T 8.13 3.90 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 *35 N 8.19 4.70 0.00 2.72 2.82 0.00 0.00 7.11 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 36 P 0.00 4.51 0.00 2.26 2.18 0.00 3.78 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 2.01 2.01 0.00 37 L 7.39 4.82 0.00 1.62 1.50 0.99 1.24 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 38 P 0.00 4.39 0.00 1.85 1.91 0.00 3.05 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.94 0.00 39 D 8.68 4.59 0.00 2.70 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 40 I 7.90 5.18 1.77 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 1.17 0.61 0.74 0.00 0.00 41 F 8.45 5.53 0.00 3.35 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 42 A 8.88 5.19 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 43 T 9.20 5.78 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 1.32 0.00 0.00 44 K 8.47 4.40 0.00 0.79 0.76 0.00 0.79 0.00 0.00 1.04 0.00 0.00 2.60 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 1.13 7.81 45 G 8.74 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.76 4.75 0.00 2.75 2.77 0.00 0.00 6.81 7.22 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 47 T 7.99 5.04 4.49 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 0.00 0.00 1.41 0.00 0.00 48 L 9.02 5.22 0.00 1.66 1.49 0.98 0.07 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 49 L 9.47 5.17 0.00 1.57 1.52 0.42 0.87 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 50 S 8.95 4.77 0.00 4.19 3.84 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 0.00 0.00 0.00 51 I 8.62 4.86 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.99 0.90 0.00 0.00 52 E 9.21 4.82 0.00 2.04 1.80 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 2.21 2.26 0.00 53 C 9.49 5.37 0.00 2.95 2.91 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 54 K 9.16 4.73 0.00 1.58 1.45 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.33 7.81 55 S 8.30 4.70 0.00 3.64 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 56 T 8.13 4.56 4.08 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 0.00 0.00 0.00 1.03 0.00 0.00 57 W 8.87 4.39 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 58 E 8.20 4.44 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 59 N 8.59 4.86 0.00 2.86 3.19 0.00 0.00 5.45 7.06 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 60 K 7.57 5.08 0.00 1.80 1.82 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.52 7.81 61 V 9.02 4.55 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 0.53 0.00 0.00 0.92 0.00 0.00 62 K 8.69 4.87 0.00 1.77 1.71 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 63 V 8.71 4.53 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 1.04 0.00 0.00 0.92 0.00 0.00 64 K 9.49 4.68 0.00 1.79 1.80 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.40 7.81 65 E 9.83 4.15 0.00 2.01 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 0.00 2.34 2.33 0.00 66 H 8.23 4.29 0.00 3.41 3.54 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.55 3.86 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.00 0.00 68 V 7.65 3.58 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 1.07 0.00 0.00 1.00 0.00 0.00 69 R 8.32 3.93 0.00 2.03 2.11 0.00 3.18 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 70 K 8.04 4.05 0.00 1.94 2.08 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 71 L 7.58 4.27 0.00 1.87 1.75 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.05 4.09 0.00 1.89 1.75 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.52 4.49 0.00 2.70 2.78 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 74 F 8.38 4.35 0.00 3.27 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 75 L 8.14 4.12 0.00 2.04 1.79 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.33 4.22 0.00 4.03 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 0.00 77 M 7.61 3.92 0.00 1.11 1.29 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 2.71 2.32 0.00 78 F 7.35 4.85 0.00 2.87 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 79 T 8.32 4.54 4.26 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 1.20 0.00 0.00 80 M 7.60 4.75 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 81 K 9.07 4.15 0.00 1.84 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 82 G 8.63 4.29 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 0.00 83 V 8.89 4.63 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 1.02 0.00 0.00 0.99 0.00 0.00 84 P 0.00 5.08 0.00 2.19 2.20 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 85 L 8.97 4.99 0.00 1.53 1.51 0.85 1.05 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 86 I 9.09 4.81 1.88 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 1.16 0.71 0.90 0.00 0.00 87 A 9.16 5.12 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 88 I 9.09 4.59 1.18 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.79 -0.27 0.00 0.00 89 K 7.98 3.39 0.00 0.79 0.74 0.00 1.08 0.00 0.00 1.16 0.00 0.00 2.54 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.62 0.21 7.81 90 F 8.67 4.72 0.00 3.11 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 91 K 8.49 3.53 0.00 0.79 0.74 0.00 0.66 0.00 0.00 1.26 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.67 7.81 92 Q 7.88 4.40 0.00 2.35 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 93 V 7.55 4.22 2.05 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 0.65 0.00 0.00 0.96 0.00 0.00 94 H 7.80 3.95 0.00 3.19 3.29 0.00 5.95 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.19 4.70 0.00 2.17 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 2.32 2.36 0.00 96 W 8.88 4.86 0.00 3.29 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 97 R 9.48 5.27 0.00 2.03 1.96 0.00 3.12 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 98 V 9.14 5.08 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 0.65 0.00 0.00 0.92 0.00 0.00 99 L 8.87 4.90 0.00 1.70 1.48 1.02 1.18 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 0.00 100 V 8.67 4.81 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 0.98 0.00 0.00 0.94 0.00 0.00 101 P 0.00 4.43 0.00 2.23 2.06 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 102 E 8.76 4.32 0.00 1.99 2.05 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 2.44 2.30 0.00 103 K 7.51 4.48 0.00 1.81 1.73 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.54 7.81 104 A 8.47 4.11 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 0.00 105 E 8.07 4.69 0.00 2.13 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 2.46 2.32 0.00 106 D 8.51 4.78 0.00 2.60 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 0.00 107 I 8.88 4.62 1.88 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 1.24 0.98 0.93 0.00 0.00 108 I 8.46 4.74 1.89 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 1.25 0.55 0.94 0.00 0.00 109 V 8.91 4.40 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 1.21 0.00 0.00 0.97 0.00 0.00 110 T 9.48 5.20 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 1.22 0.00 0.00 111 I 7.85 3.14 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.67 0.00 0.00 112 D 7.91 4.39 0.00 2.61 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 0.00 113 N 8.06 4.75 0.00 2.82 2.89 0.00 0.00 6.83 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 0.00 114 S 7.41 5.09 0.00 4.21 3.99 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 0.00 0.00 0.00 115 I 8.43 4.69 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 0.90 0.00 0.00 116 P 0.00 4.56 0.00 2.07 2.16 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 117 I 8.90 3.38 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 1.04 0.74 0.00 0.00 118 E 7.96 3.95 0.00 2.05 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 2.54 2.42 0.00 119 D 7.86 4.36 0.00 2.91 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 0.00 120 L 7.55 3.94 0.00 1.68 1.59 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.10 4.70 0.00 3.27 3.18 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 0.00 122 K 8.31 4.01 0.00 2.02 2.06 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 123 I 7.83 3.79 2.12 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 1.55 0.53 0.95 0.00 0.00 124 L 8.57 4.10 0.00 2.01 1.91 1.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.52 3.94 0.00 2.13 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 2.32 2.35 0.00 126 K 7.62 4.02 0.00 1.93 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.67 7.81 127 R 7.95 4.10 0.00 1.94 2.02 0.00 3.19 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 128 I 7.98 3.94 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.85 0.00 0.00 129 E 8.03 4.22 0.00 2.02 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 0.00 2.32 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.