NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6836 8.3649 120.2677 53.2675 41.0243 173.9062 6 F 4.6470 8.2852 126.7817 56.4844 39.8460 173.2488 7 E 3.9491 9.3404 126.3957 60.1578 31.0253 175.7033 8 E 3.6577 8.0247 115.7674 56.6366 27.1195 173.9550 9 K 4.4374 8.0494 121.4363 54.9298 34.2076 175.4670 10 M 3.8977 8.5494 128.4531 56.0728 32.5349 174.6912 11 I 3.9483 8.8962 129.1776 62.2890 36.7079 176.1178 12 L 4.9822 8.3299 122.3922 54.4346 44.8598 176.4756 13 I 5.3569 8.2463 120.1331 60.0537 40.6851 174.9261 14 R 4.6123 8.8912 118.6548 55.3208 33.0982 173.8498 15 R 4.2562 8.3857 122.2753 55.1117 31.2039 175.5497 16 T 4.5486 8.2771 118.8205 61.4948 72.1634 172.4080 17 A 4.9802 7.4691 121.8561 52.6347 22.6978 176.0214 18 R 4.3358 7.5969 112.8209 56.7871 31.2216 174.9922 19 M 4.2823 8.5605 123.9567 56.3633 33.7561 174.2278 20 Q 4.9351 8.8708 127.3554 56.0247 30.9515 172.4221 21 A 3.7403 8.0904 129.0199 56.0652 17.7734 175.8466 22 G 4.1481 8.5960 113.6708 46.3410 0.0000 173.5463 23 G 4.0050 7.9025 109.0711 43.7019 0.0000 171.2904 24 R 4.6817 8.3671 115.3477 54.2824 32.1578 175.1624 25 R 4.5362 8.6334 121.8867 54.5551 33.2657 174.3587 26 F 5.3188 8.7178 120.9246 54.8391 42.3356 174.8177 27 R 4.9922 8.6381 120.3713 54.8253 33.4136 174.8694 28 F 5.3973 9.0698 118.5608 55.8380 42.7363 174.7195 29 G 4.6844 9.5680 108.0833 44.7288 0.0000 171.6486 30 A 5.4887 9.3276 122.7539 50.3018 23.1045 175.1261 31 L 4.9885 9.0534 122.8171 53.5372 43.9318 176.0839 32 V 4.7927 8.6456 122.1813 61.3351 35.6685 173.7359 33 V 4.8720 8.1982 125.3035 61.1614 34.5125 174.3958 34 V 4.8074 8.3030 125.6512 61.3275 35.5650 174.5501 35 G 4.6941 8.5970 110.0649 45.7473 0.0000 174.1406 36 D 4.7090 8.9252 125.3343 54.9371 39.7226 177.4747 37 R 4.1683 8.2270 116.6722 56.8432 26.8578 176.2005 38 Q 4.4684 9.0086 114.7965 55.7126 29.2589 176.0580 39 G 4.2529 7.8351 108.1041 45.2910 0.0000 173.4117 40 R 5.0019 8.0676 117.5278 54.1987 34.1414 174.7712 41 V 5.4105 7.7979 115.5218 59.5361 36.9839 174.1786 42 G 4.3610 8.3827 108.9836 44.0397 0.0000 170.8529 43 L 5.2922 8.5594 126.4622 53.1256 44.3185 175.6505 44 G 4.3339 9.0783 112.3118 44.5346 0.0000 170.7533 45 F 5.9028 8.9186 125.0717 56.1731 41.6636 174.6277 46 G 4.2381 9.8957 113.5238 44.3436 0.0000 171.7915 47 K 5.7401 8.9671 123.7899 53.6734 34.6838 175.2425 48 A 4.8826 8.4300 125.8885 48.8241 23.2467 174.6835 49 P 4.6119 0.0000 0.0000 63.0362 31.0592 175.6258 50 E 3.9253 8.0981 117.9458 54.3887 32.5325 175.8016 51 V 3.5562 6.9086 121.6487 65.1461 31.3414 176.1059 52 P 4.1225 0.0000 0.0000 65.9282 31.4043 178.0638 53 L 3.9027 7.9184 116.3425 58.1731 41.6171 179.2483 54 A 4.0448 8.1160 120.2205 55.5248 18.2932 179.7920 55 V 3.5910 8.1046 116.6163 66.2366 31.4634 177.5033 56 Q 3.9631 8.3402 119.4125 59.6489 28.3788 178.6505 57 K 4.0695 8.9142 119.1600 60.4270 32.0407 177.9788 58 A 4.3073 8.7304 120.7642 55.7222 18.0533 179.5291 59 G 3.7534 8.5760 101.9407 47.4895 0.0000 174.5875 60 Y 4.3595 7.7017 120.8528 61.3004 39.0109 177.9614 61 Y 3.8737 7.8372 116.4215 60.7061 37.9327 177.6902 62 A 3.9947 7.8940 121.5750 55.6368 18.3447 179.6421 63 R 4.1951 8.6944 114.5336 57.7291 30.1810 178.0004 64 R 4.6076 7.1557 117.8717 54.5321 30.2964 174.8753 65 N 4.3145 8.0927 112.5580 53.6305 42.3795 173.0190 66 M 5.1060 8.5117 125.5223 54.0121 36.9828 174.7757 67 V 4.4282 8.7132 118.6832 60.1803 34.9458 174.6732 68 E 4.3935 8.8894 123.2221 56.3788 29.1007 176.3141 69 V 3.8397 8.9532 127.8099 61.5499 31.4232 174.4795 70 P 4.6231 0.0000 0.0000 61.8949 29.4934 178.9067 71 L 5.1010 7.7471 126.4646 56.4867 41.6252 177.4719 72 Q 5.4716 9.1293 130.1760 57.8620 29.3617 172.3218 73 N 4.4538 8.1938 118.2578 53.1806 35.7999 174.7169 74 G 3.8706 8.7297 104.5270 46.5484 0.0000 173.6898 75 T 4.6324 7.3699 113.9970 61.0004 69.8221 171.3906 76 I 4.6612 8.0211 120.0251 58.7305 39.6209 174.4416 77 P 4.3832 0.0000 0.0000 65.5133 31.1067 175.7307 78 H 4.9977 7.6954 111.5672 52.8850 31.8545 171.6432 79 E 4.8040 8.5277 118.7629 55.6807 30.5448 176.3310 80 I 4.7444 8.7697 116.0171 59.4644 41.4912 173.6094 81 E 5.2065 8.7389 122.2781 54.8109 32.8573 175.7228 82 V 4.3989 8.8574 122.3412 61.5874 35.3026 173.4954 83 E 4.9835 8.9895 127.8230 55.0173 30.7391 175.4238 84 F 4.7212 9.3431 128.8493 56.9069 41.6737 175.4946 85 G 3.3806 7.6292 119.0527 47.0452 0.0000 173.8958 86 A 4.4075 8.4756 128.5179 51.7691 19.4109 176.4013 87 S 5.1559 7.9243 113.7453 55.8082 65.4187 173.1385 88 K 5.0859 8.6529 125.3319 54.5655 34.8353 174.3429 89 I 4.9421 9.1115 127.8469 59.2195 40.6412 174.0800 90 V 4.7240 8.6966 128.7529 61.4412 34.1367 174.8032 91 L 4.8540 9.2323 126.3187 52.9800 44.8822 174.5050 92 K 4.8333 9.1209 126.3781 53.2710 34.5690 173.4751 93 P 4.6721 0.0000 0.0000 63.0340 31.8496 175.3698 94 A 4.8895 8.3967 123.8941 49.5671 21.4542 176.1694 95 A 4.0426 8.6885 123.5745 51.4316 19.1187 175.7723 96 P 4.8854 0.0000 0.0000 63.6446 32.1509 175.6471 97 G 3.7560 9.0596 110.3387 46.4413 0.0000 171.9426 98 T 4.3878 8.9189 116.9796 64.6236 72.7824 173.7746 99 G 4.2043 7.1149 106.3345 43.5390 0.0000 173.0221 100 V 4.2236 7.8079 122.6566 61.3286 30.3808 173.2329 101 I 4.1472 8.3824 117.6959 60.3226 38.8662 175.2783 102 A 4.6177 7.6872 127.2188 52.4044 22.2980 175.0209 103 G 3.8600 8.4048 107.8295 44.4125 0.0000 174.9968 104 A 3.6143 7.6875 119.8298 54.7152 18.7474 179.6258 105 V 3.4786 7.2932 112.7551 66.3186 31.0603 176.2722 106 P 4.1844 0.0000 0.0000 66.6432 31.7945 177.6635 107 R 3.6881 8.6659 117.5266 59.3589 29.6227 177.7397 108 A 3.9332 8.8431 119.7465 55.7251 18.7572 179.5305 109 I 3.5514 7.9673 117.3456 64.7891 37.2759 178.3391 110 L 4.1593 8.1907 119.2808 56.9076 41.4980 179.0464 111 E 4.0812 7.9065 118.6469 59.7302 29.3786 179.4833 112 L 4.0002 7.8783 117.7814 57.2747 40.3742 178.9160 113 A 4.1044 7.7079 120.2270 53.4798 18.0034 178.8271 114 G 3.5269 8.0129 105.5166 44.9461 0.0000 174.1586 115 V 3.9243 7.4695 119.1373 63.1516 31.5219 175.9052 116 T 4.6171 8.4165 117.4273 63.2801 72.5807 173.0479 117 D 5.0235 7.8114 120.0817 52.8483 44.1216 174.0098 118 I 4.5694 8.3652 122.0125 59.7940 42.3178 173.0706 119 L 4.8910 9.2272 130.1282 54.1026 43.5768 175.8220 120 T 5.1246 8.2927 110.8053 60.1815 72.8498 172.5966 121 K 4.8548 8.4589 123.2137 54.8894 35.8468 174.8208 122 E 4.5857 8.8727 126.8200 56.1864 30.7076 175.7843 123 L 4.7686 9.1789 124.7793 53.7507 45.9870 177.8761 124 G 3.7589 8.9298 110.1786 47.4666 0.0000 175.1993 125 S 4.3510 10.1222 120.9752 57.7960 62.6142 174.2541 126 R 4.0750 8.3088 128.1544 56.5553 30.5763 177.0653 127 N 4.4996 8.2114 117.7244 54.2523 39.6447 171.9753 128 P 3.7634 0.0000 0.0000 64.7817 31.6174 178.2759 129 I 3.4583 7.5005 118.5470 64.9494 37.6440 177.8019 130 N 4.6975 8.4139 116.6026 55.9991 38.5014 177.6700 131 I 3.7360 8.5378 121.6085 65.0630 37.0925 177.3187 132 A 3.9162 8.7822 121.4856 54.8911 18.0405 178.7603 133 Y 3.5896 8.9138 113.8696 60.6525 38.1677 179.5255 134 A 4.0506 8.1105 121.4805 55.4734 18.5997 179.4154 135 T 3.7853 7.8569 114.1433 67.9122 68.4587 175.7415 136 M 3.6941 7.6303 118.9101 59.2775 31.7145 178.3567 137 E 3.5333 7.8939 118.6749 60.0496 30.1202 179.2629 138 A 4.0591 8.1137 120.7513 54.9181 18.3549 179.2525 139 L 3.8483 8.4982 116.6235 58.0173 41.8130 179.9705 140 R 3.9118 8.4913 117.8962 58.2373 30.2594 176.3123 141 Q 4.6959 8.1399 117.1319 56.1354 29.6224 175.0927 142 L 4.8386 8.0546 117.7014 53.3015 43.4573 176.4710 143 R 4.7978 8.3900 120.1566 54.0820 34.2967 175.1525 144 T 4.7009 9.4280 109.8708 58.8447 73.0699 174.7899 145 K 3.8507 8.6311 123.3099 60.5064 32.2016 177.6425 146 A 3.9773 8.4633 119.0439 55.5407 17.7535 177.7791 147 D 4.4093 7.1704 120.1472 54.6265 40.2695 178.7414 148 V 3.8438 7.8117 121.0428 65.6232 31.6557 176.9239 149 E 4.1993 8.6927 116.4915 57.7987 29.4139 178.7284 150 R 3.8796 8.2663 120.7950 59.4764 30.2848 177.6415 151 L 4.2659 7.8094 116.7767 55.6198 42.4728 177.3932 152 R 4.7688 7.2598 119.0278 55.6176 31.4162 177.1536 153 K 4.7022 7.3477 130.4929 54.9883 31.0611 179.6210 154 G 3.2629 9.1190 113.5897 46.7277 0.0000 173.8411 *155 E 4.1319 8.1312 120.7617 56.3903 30.4399 176.1253 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 5 D 8.36 4.68 0.00 2.71 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 6 F 8.29 4.65 0.00 3.06 2.63 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 7 E 9.34 3.95 0.00 2.26 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 2.34 2.32 0.00 8 E 8.02 3.66 0.00 2.21 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 2.23 2.34 0.00 9 K 8.05 4.44 0.00 1.92 1.68 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 M 8.55 3.90 0.00 2.11 2.00 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 2.63 2.67 0.00 11 I 8.90 3.95 1.98 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 1.27 0.88 0.89 0.00 0.00 12 L 8.33 4.98 0.00 1.65 1.72 0.88 0.53 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 13 I 8.25 5.36 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 1.07 0.00 0.00 14 R 8.89 4.61 0.00 1.87 2.03 0.00 2.80 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 R 8.39 4.26 0.00 0.71 1.50 0.00 2.21 0.00 0.00 2.49 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.00 16 T 8.28 4.55 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 1.22 0.00 0.00 17 A 7.47 4.98 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 18 R 7.60 4.34 0.00 1.81 1.95 0.00 2.91 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 19 M 8.56 4.28 0.00 1.98 1.98 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 2.55 2.41 0.00 20 Q 8.87 4.94 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 21 A 8.09 3.74 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 22 G 8.60 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 0.00 0.00 0.00 23 G 7.90 4.01 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 0.00 0.00 0.00 24 R 8.37 4.68 0.00 1.51 1.72 0.00 3.06 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.00 25 R 8.63 4.54 0.00 1.77 1.70 0.00 3.03 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 1.57 1.62 0.00 26 F 8.72 5.32 0.00 2.90 2.90 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 27 R 8.64 4.99 0.00 1.80 1.90 0.00 3.07 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 28 F 9.07 5.40 0.00 2.91 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 29 G 9.57 4.68 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 0.00 0.00 0.00 30 A 9.33 5.49 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 31 L 9.05 4.99 0.00 1.54 1.51 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.65 4.79 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 1.04 0.00 0.00 1.00 0.00 0.00 33 V 8.20 4.87 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 0.83 0.00 0.00 0.89 0.00 0.00 34 V 8.30 4.81 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 1.05 0.00 0.00 0.97 0.00 0.00 35 G 8.60 4.69 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 0.00 0.00 0.00 36 D 8.93 4.71 0.00 2.97 3.31 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 37 R 8.23 4.17 0.00 2.03 2.19 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 38 Q 9.01 4.47 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 39 G 7.84 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 0.00 0.00 0.00 0.00 40 R 8.07 5.00 0.00 1.68 1.52 0.00 3.12 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 V 7.80 5.41 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 0.76 0.00 0.00 0.85 0.00 0.00 42 G 8.38 4.36 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 0.00 43 L 8.56 5.29 0.00 1.46 1.31 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.08 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 0.00 0.00 0.00 0.00 45 F 8.92 5.90 0.00 3.00 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 46 G 9.90 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 0.00 0.00 0.00 0.00 47 K 8.97 5.74 0.00 1.44 1.64 0.00 0.61 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.98 0.89 7.81 48 A 8.43 4.88 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 49 P 0.00 4.61 0.00 2.22 2.21 0.00 3.83 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 1.99 1.97 0.00 50 E 8.10 3.93 0.00 1.83 1.63 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 1.95 1.98 0.00 51 V 6.91 3.56 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 1.15 0.00 0.00 0.60 0.00 0.00 52 P 0.00 4.12 0.00 2.14 2.06 0.00 3.61 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 2.06 2.17 0.00 53 L 7.92 3.90 0.00 1.81 1.76 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.12 4.04 1.56 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 55 V 8.10 3.59 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 1.04 0.00 0.00 1.03 0.00 0.00 56 Q 8.34 3.96 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 K 8.91 4.07 0.00 2.18 2.26 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.72 7.81 58 A 8.73 4.31 1.49 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 0.00 0.00 0.00 59 G 8.58 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.70 4.36 0.00 2.75 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 61 Y 7.84 3.87 0.00 3.17 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 62 A 7.89 3.99 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 63 R 8.69 4.20 0.00 1.93 2.10 0.00 3.29 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 64 R 7.16 4.61 0.00 1.45 1.76 0.00 2.92 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 65 N 8.09 4.31 0.00 2.75 2.74 0.00 0.00 6.95 7.55 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 66 M 8.51 5.11 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 67 V 8.71 4.43 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 0.79 0.00 0.00 0.89 0.00 0.00 68 E 8.89 4.39 0.00 1.97 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 0.00 2.25 2.29 0.00 69 V 8.95 3.84 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 0.75 0.00 0.00 0.91 0.00 0.00 70 P 0.00 4.62 0.00 2.22 2.07 0.00 3.82 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 1.99 1.99 0.00 71 L 7.75 5.10 0.00 1.65 1.71 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.13 5.47 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.22 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 73 N 8.19 4.45 0.00 2.82 3.13 0.00 0.00 7.22 7.65 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 74 G 8.73 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.37 4.63 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 1.25 0.00 0.00 76 I 8.02 4.66 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 1.45 0.98 0.97 0.00 0.00 77 P 0.00 4.38 0.00 2.43 2.18 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 78 H 7.70 5.00 0.00 3.23 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.53 4.80 0.00 1.84 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 0.00 2.28 2.36 0.00 80 I 8.77 4.74 1.84 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 1.15 0.91 0.75 0.00 0.00 81 E 8.74 5.21 0.00 1.84 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 2.19 2.26 0.00 82 V 8.86 4.40 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 0.89 0.00 0.00 0.95 0.00 0.00 83 E 8.99 4.98 0.00 1.91 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 2.26 2.30 0.00 84 F 9.34 4.72 0.00 3.05 2.97 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 85 G 7.63 3.38 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 0.00 86 A 8.48 4.41 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 87 S 7.92 5.16 0.00 3.98 3.93 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 88 K 8.65 5.09 0.00 1.79 1.63 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 89 I 9.11 4.94 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.71 0.92 0.00 0.00 90 V 8.70 4.72 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 0.90 0.00 0.00 1.00 0.00 0.00 91 L 9.23 4.85 0.00 1.66 1.50 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.12 4.83 0.00 1.74 1.63 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 93 P 0.00 4.67 0.00 2.11 2.21 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 A 8.40 4.89 1.21 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 95 A 8.69 4.04 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 96 P 0.00 4.89 0.00 2.05 2.04 0.00 3.84 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 9.06 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 98 T 8.92 4.39 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 99 G 7.11 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 0.00 0.00 0.00 0.00 100 V 7.81 4.22 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 0.84 0.00 0.00 1.00 0.00 0.00 101 I 8.38 4.15 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 1.16 0.93 0.91 0.00 0.00 102 A 7.69 4.62 1.21 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 0.00 103 G 8.40 3.86 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 0.00 0.00 0.00 104 A 7.69 3.61 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 0.00 105 V 7.29 3.48 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 1.14 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.18 0.00 2.24 2.16 0.00 3.95 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 2.17 2.02 0.00 107 R 8.67 3.69 0.00 1.87 2.15 0.00 3.12 0.00 0.00 3.17 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 A 8.84 3.93 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 0.00 109 I 7.97 3.55 1.97 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 1.46 1.02 0.85 0.00 0.00 110 L 8.19 4.16 0.00 1.82 1.68 0.90 0.93 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 0.00 111 E 7.91 4.08 0.00 2.14 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 2.33 2.35 0.00 112 L 7.88 4.00 0.00 1.65 1.77 0.96 0.74 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 0.00 113 A 7.71 4.10 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 0.00 114 G 8.01 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.92 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 0.78 0.00 0.00 0.91 0.00 0.00 116 T 8.42 4.62 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 0.00 117 D 7.81 5.02 0.00 2.53 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 0.00 118 I 8.37 4.57 1.86 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 1.21 0.95 0.90 0.00 0.00 119 L 9.23 4.89 0.00 1.72 1.55 0.92 0.42 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 0.00 120 T 8.29 5.12 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 1.23 0.00 0.00 121 K 8.46 4.85 0.00 1.85 1.62 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.44 7.81 122 E 8.87 4.59 0.00 1.90 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 2.30 2.34 0.00 123 L 9.18 4.77 0.00 1.58 1.56 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.93 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 0.00 125 S 10.12 4.35 0.00 3.87 3.73 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 0.00 0.00 0.00 0.00 126 R 8.31 4.08 0.00 1.84 1.93 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 127 N 8.21 4.50 0.00 2.71 2.73 0.00 0.00 7.26 8.62 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 0.00 128 P 0.00 3.76 0.00 2.17 1.90 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 129 I 7.50 3.46 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.76 0.00 0.00 130 N 8.41 4.70 0.00 2.85 3.07 0.00 0.00 7.13 6.77 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 0.00 131 I 8.54 3.74 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.95 0.00 0.00 132 A 8.78 3.92 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 0.00 133 Y 8.91 3.59 0.00 2.72 1.76 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 0.00 134 A 8.11 4.05 1.48 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 0.00 0.00 135 T 7.86 3.79 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 1.17 0.00 0.00 136 M 7.63 3.69 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 137 E 7.89 3.53 0.00 2.07 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 2.31 2.53 0.00 138 A 8.11 4.06 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 0.00 139 L 8.50 3.85 0.00 1.73 1.70 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.49 3.91 0.00 1.71 2.13 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 141 Q 8.14 4.70 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 142 L 8.05 4.84 0.00 1.67 1.61 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.39 4.80 0.00 1.61 1.73 0.00 3.30 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 144 T 9.43 4.70 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 0.00 145 K 8.63 3.85 0.00 1.83 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.55 7.81 146 A 8.46 3.98 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 0.00 147 D 7.17 4.41 0.00 2.91 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 0.00 148 V 7.81 3.84 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 1.03 0.00 0.00 0.95 0.00 0.00 149 E 8.69 4.20 0.00 2.21 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 2.71 2.31 0.00 150 R 8.27 3.88 0.00 1.89 2.07 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.81 4.27 0.00 1.67 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.26 4.77 0.00 1.73 1.90 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 153 K 7.35 4.70 0.00 1.74 0.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.37 7.81 154 G 9.12 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 0.00 0.00 0.00 *155 E 8.13 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.