NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4413 8.4129 118.1266 56.6690 41.9219 172.5141 2 E 4.4699 8.0891 116.6835 55.0728 31.5756 169.0081 3 E 4.3565 9.5640 115.9855 57.5423 31.1476 174.5584 4 P 3.8874 0.0000 0.0000 61.5053 31.9972 174.6772 5 P 4.3189 0.0000 0.0000 63.3104 31.8513 176.0119 6 T 4.6024 7.9224 110.5864 60.5216 70.5202 173.5754 7 F 4.6624 8.3140 122.6039 56.6490 43.1534 175.1567 8 E 4.2514 8.7598 116.6244 57.0723 30.2022 175.9080 9 A 3.7523 7.8752 117.5281 51.8844 21.4988 176.1909 10 M 5.1559 7.7723 111.3514 53.5502 34.8011 174.5826 11 E 5.0181 9.1757 118.7777 54.6998 33.5518 173.3665 12 L 4.6517 8.4096 120.9285 53.9044 43.4472 176.4752 13 I 3.8637 7.9200 127.4728 61.9920 37.8743 177.1883 14 G 3.7584 8.8991 117.4860 44.8593 0.0000 173.3015 15 K 4.1630 8.1378 119.6963 53.6214 32.2365 171.2103 16 P 4.4639 0.0000 0.0000 61.4817 31.9823 175.7189 17 K 4.5680 8.3408 124.1209 54.0777 33.7627 174.5110 18 P 4.6131 0.0000 0.0000 65.3415 31.5904 177.1405 *19 Y 5.3459 7.7166 119.3670 55.5450 40.1517 177.4579 *20 Y 4.9610 8.7509 124.6578 54.9046 40.4841 171.7929 21 E 4.5113 8.6788 118.8631 55.1596 33.1759 174.7536 22 I 4.1626 8.0257 120.9318 63.6774 36.8275 175.8636 23 G 3.9385 7.7948 110.0747 45.3042 0.0000 173.0955 24 E 4.2175 7.8700 121.9917 55.8309 28.8230 176.8642 25 R 4.8320 8.4448 125.9187 55.6770 30.3173 173.3540 26 V 4.0327 8.3961 125.8222 59.9037 33.5520 175.1802 27 D 5.0666 8.2743 122.8599 52.9651 43.5900 174.7794 28 Y 5.2406 8.0527 118.4653 56.0841 41.2972 175.1045 29 K 4.7484 8.5643 119.4415 55.0239 36.5076 174.8905 30 C 4.9108 8.7241 118.5709 56.7991 40.8959 174.0032 31 K 4.3634 8.9440 122.5592 55.6594 33.2430 176.5296 32 K 3.9801 8.6794 122.7305 58.7574 32.5210 176.9520 33 G 3.8888 9.4118 113.8500 44.9696 0.0000 171.9792 34 Y 5.6020 7.9396 116.2651 56.2781 41.4727 175.0583 35 F 5.2409 9.3195 115.6074 55.4400 42.0177 173.1124 36 Y 5.0062 8.8256 121.5508 57.1639 40.4910 173.9952 37 I 4.3480 7.5324 125.5042 58.5222 40.4605 173.9388 38 P 4.2966 0.0000 0.0000 61.7165 31.7339 174.3126 39 P 4.7176 0.0000 0.0000 61.9223 32.0333 174.6874 40 L 3.7186 8.0115 120.8696 55.7950 41.8591 176.6019 41 A 4.4675 8.4686 128.6768 52.3886 19.2946 176.2812 42 T 4.5125 8.0889 111.9137 62.2439 68.5524 173.8953 43 H 4.5736 8.3355 117.1181 56.9448 30.1739 174.5656 44 T 4.1335 7.8530 109.8682 62.6775 71.2543 173.1610 45 I 4.8359 8.0969 129.0393 59.3124 38.8303 170.9510 46 C 4.8120 8.6286 119.3092 56.2719 43.4936 173.7309 47 D 4.7114 8.3086 128.8945 53.3480 39.7199 177.8992 48 R 3.7710 8.5883 116.6213 59.4819 29.8035 173.8779 49 N 4.8022 7.5410 121.3229 54.4764 39.2614 175.8993 *50 H 4.8415 8.4663 111.9429 54.9378 29.3937 169.2722 51 T 4.5851 7.5542 109.9235 59.7942 72.3677 172.9422 52 W 5.0681 8.3473 121.6814 55.5571 30.3072 176.5316 53 L 4.3526 8.3878 123.2085 54.2501 42.2210 175.1517 54 P 4.6720 0.0000 0.0000 62.8194 31.8088 176.9639 55 V 4.4217 8.2091 121.9161 60.6392 33.9771 173.0059 56 S 4.9027 8.2159 117.1321 56.4502 66.1129 173.1736 57 D 4.2856 8.3413 120.1548 53.4922 39.1025 176.5711 58 D 4.4107 7.5241 117.3063 55.5633 42.5941 178.0345 59 A 3.9912 7.6077 120.8809 54.0890 19.8003 177.7926 60 C 5.0477 7.7762 113.1464 56.4253 42.2726 173.1039 61 Y 4.9058 8.7390 121.4001 55.8584 41.1460 175.4503 62 R 4.1500 8.6726 120.1489 55.7493 31.1114 176.3613 63 E 4.3006 9.0778 124.2576 57.0390 30.6293 176.3120 64 T 4.7247 8.5345 116.5172 60.9674 71.1289 174.3373 65 C 4.8622 8.7188 119.7971 54.3715 42.3166 172.4734 66 P 4.5279 0.0000 0.0000 62.8351 31.5632 175.9514 67 Y 4.4456 8.7670 122.8009 58.2297 39.1553 175.4787 68 I 4.1826 8.3057 127.3626 59.2051 39.0040 176.1602 69 R 3.8647 7.9259 124.3389 55.2836 30.7256 176.2398 70 D 4.4585 8.5072 120.2099 53.9452 41.3949 175.1149 71 P 4.2066 0.0000 0.0000 62.3158 31.9695 175.5116 72 L 3.9956 8.2248 123.4590 56.7032 42.4431 176.7484 73 N 4.1209 8.9849 121.3016 53.4375 36.5532 173.3271 74 G 4.4307 7.7206 106.9645 46.0654 0.0000 172.2038 75 Q 4.7189 8.3913 118.2996 55.3851 33.4932 174.0477 76 A 4.7077 9.2348 129.5812 50.5418 20.2969 175.9346 77 V 4.2950 7.9733 115.7276 59.4530 33.9529 174.4281 78 P 4.5274 0.0000 0.0000 62.9844 31.3505 175.9702 79 A 4.5973 8.6308 123.3519 52.1300 20.8008 176.9397 80 N 4.6338 8.2642 110.0079 54.9997 41.1488 175.2078 *83 Y 4.6920 7.6371 113.4866 57.6322 40.5552 175.3379 84 E 5.0081 8.2519 119.2576 55.5539 31.4309 175.7550 85 F 4.5086 8.1004 116.6850 58.1169 38.1097 175.8565 86 G 3.6357 9.2034 109.9957 45.2455 0.0000 173.0676 87 Y 4.8496 7.2327 116.5740 56.6108 41.4240 174.6231 88 Q 5.4330 8.7184 118.6193 54.6986 32.8115 174.2869 89 M 4.7843 8.7514 119.5656 54.0069 35.4932 173.5116 90 H 5.1077 8.8313 125.4974 54.3494 32.7786 172.8620 91 F 5.4124 8.6054 123.0455 55.7860 41.7454 174.7803 92 I 4.7631 8.8502 123.4581 59.8023 41.2711 173.5384 93 C 5.0110 8.8071 123.5413 55.2821 36.3099 173.3886 94 N 4.5717 8.6507 120.9107 53.0952 39.7434 174.2071 95 E 4.0823 8.6943 119.4855 58.1828 29.8586 177.9296 96 G 3.8192 9.2243 110.4752 45.6112 0.0000 172.4164 97 Y 5.2911 7.7537 115.4461 56.2412 41.9984 174.2886 98 Y 5.0088 8.8508 119.6545 55.1254 41.6605 174.2004 99 L 4.9218 8.6331 122.7565 54.1630 43.5547 175.5382 100 I 4.2502 8.2973 118.8545 60.2217 40.0509 172.0678 101 G 3.4981 9.0620 118.5674 45.7420 0.0000 167.5080 102 E 3.5649 8.3317 129.3127 55.9173 26.6290 173.9655 103 E 4.5977 8.3847 120.7131 56.4772 31.1313 175.7798 104 I 5.7498 7.3907 120.0035 59.3761 41.5094 174.2148 105 L 4.7910 8.5931 125.3952 53.1196 45.1521 175.0727 106 Y 5.0854 8.5038 120.9060 57.8483 39.9946 175.3329 107 C 4.6371 9.1749 124.8360 55.4727 43.7838 172.5900 108 E 4.7486 8.7172 125.5150 54.6116 32.2024 175.0225 109 L 4.4459 8.2594 122.5395 53.4722 42.2152 175.9304 110 K 4.3396 8.3858 127.5886 55.4698 33.5946 177.9185 111 G 3.9508 8.2018 116.9435 46.9884 0.0000 175.3733 112 S 4.4557 8.8811 121.3001 58.0845 63.9379 173.6857 113 V 4.8957 7.4812 119.5652 60.0015 33.4041 173.8615 114 A 4.8797 8.2175 128.1321 50.5967 20.5677 176.3327 115 I 4.6420 8.0630 115.4182 58.8885 41.9068 174.1376 116 W 5.1854 8.6094 122.5213 56.0535 29.5946 176.5945 117 S 4.3145 9.9211 121.1083 61.6199 62.3625 174.0638 118 G 4.3549 7.8119 106.0581 43.8782 0.0000 170.5939 119 K 4.5359 8.4463 120.4910 53.7328 33.6319 175.3509 120 P 3.5974 0.0000 0.0000 62.6040 31.6906 174.3043 121 P 4.4453 0.0000 0.0000 62.0134 33.0962 175.0031 122 I 4.4621 7.7965 119.9519 59.8654 40.6107 174.5476 123 C 5.2568 8.4831 121.3262 55.3344 43.4629 173.1283 124 E 4.7210 8.8942 127.7923 54.7248 31.8115 177.2064 125 K 3.9788 8.8255 123.8195 54.3445 32.1248 178.3888 126 V 3.8567 8.1257 123.5664 64.4966 32.3412 171.6543 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 1 C 8.41 4.44 0.00 2.22 2.48 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 2 E 8.09 4.47 0.00 2.07 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 2.21 1.96 0.00 3 E 9.56 4.36 0.00 2.16 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 2.45 2.45 0.00 4 P 0.00 3.89 0.00 1.82 1.21 0.00 3.72 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 1.79 1.76 0.00 5 P 0.00 4.32 0.00 2.15 1.85 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 6 T 7.92 4.60 4.22 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 1.22 0.00 0.00 7 F 8.31 4.66 0.00 2.93 2.93 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 8 E 8.76 4.25 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 2.21 2.12 0.00 9 A 7.88 3.75 0.77 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 10 M 7.77 5.16 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 11 E 9.18 5.02 0.00 2.02 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 2.32 2.24 0.00 12 L 8.41 4.65 0.00 1.62 1.55 0.33 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.92 3.86 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.85 0.00 0.00 14 G 8.90 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 15 K 8.14 4.16 0.00 1.79 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.46 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 17 K 8.34 4.57 0.00 1.73 1.75 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.46 7.81 18 P 0.00 4.61 0.00 2.10 2.11 0.00 3.75 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 *19 Y 7.72 5.35 0.00 2.03 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 0.00 0.00 0.00 *20 Y 8.75 4.96 0.00 2.07 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 0.00 0.00 0.00 0.00 21 E 8.68 4.51 0.00 2.04 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 0.00 2.23 2.27 0.00 22 I 8.03 4.16 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 1.01 0.00 0.00 23 G 7.79 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 24 E 7.87 4.22 0.00 2.36 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 2.34 2.28 0.00 25 R 8.44 4.83 0.00 1.59 1.75 0.00 3.25 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 26 V 8.40 4.03 1.89 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 -0.04 0.00 0.00 0.61 0.00 0.00 27 D 8.27 5.07 0.00 2.46 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 28 Y 8.05 5.24 0.00 2.58 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 29 K 8.56 4.75 0.00 1.78 1.83 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.72 4.91 0.00 3.00 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 31 K 8.94 4.36 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.42 7.81 32 K 8.68 3.98 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 33 G 9.41 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 34 Y 7.94 5.60 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.32 5.24 0.00 3.25 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 36 Y 8.83 5.01 0.00 3.13 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 37 I 7.53 4.35 1.83 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.77 0.00 0.00 38 P 0.00 4.30 0.00 2.02 2.05 0.00 3.59 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 39 P 0.00 4.72 0.00 2.16 2.15 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 40 L 8.01 3.72 0.00 1.58 1.64 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.47 4.47 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 42 T 8.09 4.51 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 1.06 0.00 0.00 43 H 8.34 4.57 0.00 3.10 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.85 4.13 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 1.14 0.00 0.00 45 I 8.10 4.84 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 1.23 0.65 0.91 0.00 0.00 46 C 8.63 4.81 0.00 2.81 2.98 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 47 D 8.31 4.71 0.00 3.07 2.85 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 48 R 8.59 3.77 0.00 1.85 1.92 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 49 N 7.54 4.80 0.00 2.83 2.66 0.00 0.00 6.66 8.04 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 *50 H 8.47 4.84 0.00 2.87 2.84 0.00 7.14 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 51 T 7.55 4.59 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 1.16 0.00 0.00 52 W 8.35 5.07 0.00 3.27 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 53 L 8.39 4.35 0.00 1.71 1.74 1.06 1.09 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 54 P 0.00 4.67 0.00 1.98 2.03 0.00 3.78 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 2.07 2.13 0.00 55 V 8.21 4.42 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 0.76 0.00 0.00 0.73 0.00 0.00 56 S 8.22 4.90 0.00 3.92 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 57 D 8.34 4.29 0.00 2.57 2.48 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 58 D 7.52 4.41 0.00 2.53 2.59 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 59 A 7.61 3.99 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 60 C 7.78 5.05 0.00 2.68 3.02 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 61 Y 8.74 4.91 0.00 2.19 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 62 R 8.67 4.15 0.00 1.67 1.66 0.00 3.10 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.60 0.00 63 E 9.08 4.30 0.00 2.32 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 64 T 8.53 4.72 4.35 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 1.35 0.00 0.00 65 C 8.72 4.86 0.00 2.36 2.26 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 66 P 0.00 4.53 0.00 2.30 2.15 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 67 Y 8.77 4.45 0.00 2.72 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 68 I 8.31 4.18 1.60 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.96 0.80 0.00 0.00 69 R 7.93 3.86 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 70 D 8.51 4.46 0.00 2.65 2.62 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 71 P 0.00 4.21 0.00 2.12 2.04 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 72 L 8.22 4.00 0.00 1.50 1.47 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.12 0.00 2.25 1.42 0.00 0.00 6.78 7.61 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 74 G 7.72 4.43 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 0.00 75 Q 8.39 4.72 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 76 A 9.23 4.71 1.04 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 0.00 0.00 77 V 7.97 4.30 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 0.68 0.00 0.00 0.84 0.00 0.00 78 P 0.00 4.53 0.00 1.94 1.91 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 79 A 8.63 4.60 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 80 N 8.26 4.63 0.00 2.85 3.11 0.00 0.00 6.91 7.46 0.00 0.00 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 Y 7.64 4.69 0.00 3.12 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 84 E 8.25 5.01 0.00 2.12 1.87 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 2.51 2.43 0.00 85 F 8.10 4.51 0.00 2.86 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 86 G 9.20 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 0.00 0.00 0.00 87 Y 7.23 4.85 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.72 5.43 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 89 M 8.75 4.78 0.00 1.50 1.17 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.50 0.00 90 H 8.83 5.11 0.00 3.13 3.02 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.61 5.41 0.00 2.86 2.83 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 0.00 0.00 0.00 92 I 8.85 4.76 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.95 0.00 0.00 93 C 8.81 5.01 0.00 2.93 3.17 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 94 N 8.65 4.57 0.00 2.91 2.89 0.00 0.00 6.75 7.70 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 95 E 8.69 4.08 0.00 2.00 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 2.35 2.36 0.00 96 G 9.22 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 97 Y 7.75 5.29 0.00 2.92 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 98 Y 8.85 5.01 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 4.92 0.00 1.69 1.63 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.30 4.25 1.86 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 1.05 0.54 0.83 0.00 0.00 101 G 9.06 3.50 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 0.00 0.00 0.00 102 E 8.33 3.56 0.00 2.01 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 2.11 2.20 0.00 103 E 8.38 4.60 0.00 2.25 2.19 0.00 0.00 0.00 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 2.29 0.00 104 I 7.39 5.75 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.99 0.00 0.00 105 L 8.59 4.79 0.00 1.52 1.70 0.79 0.84 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 0.00 106 Y 8.50 5.09 0.00 3.01 2.84 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 0.00 107 C 9.17 4.64 0.00 1.41 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 0.00 108 E 8.72 4.75 0.00 2.02 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 2.30 2.33 0.00 109 L 8.26 4.45 0.00 0.62 1.16 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.39 4.34 0.00 1.79 1.69 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.48 7.81 111 G 8.20 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 0.00 112 S 8.88 4.46 0.00 3.83 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 0.00 113 V 7.48 4.90 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 1.16 0.00 0.00 0.89 0.00 0.00 114 A 8.22 4.88 1.23 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 0.00 0.00 115 I 8.06 4.64 1.88 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 1.17 0.67 0.88 0.00 0.00 116 W 8.61 5.19 0.00 3.24 3.16 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 0.00 117 S 9.92 4.31 0.00 3.88 4.30 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 0.00 118 G 7.81 4.35 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 0.00 119 K 8.45 4.54 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.38 7.81 120 P 0.00 3.60 0.00 1.85 1.71 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 121 P 0.00 4.45 0.00 1.60 2.00 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.64 0.00 122 I 7.80 4.46 1.72 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 1.09 1.20 0.78 0.00 0.00 123 C 8.48 5.26 0.00 2.83 2.85 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 0.00 124 E 8.89 4.72 0.00 1.48 1.12 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 2.22 2.31 0.00 125 K 8.83 3.98 0.00 1.82 1.69 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.13 3.86 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 0.82 0.00 0.00 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.