NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 Q 4.2969 8.3331 119.1012 54.2279 29.8976 174.0330 8 G 3.5432 8.4002 104.7975 46.4668 0.0000 172.1773 9 T 3.8611 9.3174 121.6164 63.4520 68.5047 173.4697 10 K 4.1173 8.9502 118.1340 55.9371 29.5569 175.1371 11 F 5.2961 7.7044 115.5251 55.9425 43.4614 173.4344 12 R 4.4671 7.7748 120.1341 54.4304 32.6104 175.4009 13 I 4.5091 7.7013 122.0249 59.1818 41.4793 174.1586 14 S 4.7753 7.8218 122.9721 56.6639 64.4676 174.3089 15 L 4.1153 8.5740 124.7018 54.9235 41.7971 177.2457 16 G 3.7835 8.9738 113.3531 46.8953 0.0000 173.4938 17 L 4.6099 7.8384 120.5023 52.1100 43.2657 174.8818 18 P 4.9834 0.0000 0.0000 61.0033 32.7075 175.9185 19 V 3.5893 7.5005 113.5389 63.0541 31.6651 177.4537 20 G 3.2063 8.4639 111.8835 44.6708 0.0000 173.7176 21 A 4.1923 7.1947 120.9928 51.7734 19.8622 176.2906 22 I 4.8535 8.2062 120.1623 59.7061 39.6450 174.5098 23 M 4.9420 8.9020 128.1272 53.5117 36.5288 173.7722 24 N 4.7512 8.8006 121.7097 53.7123 40.7113 173.3071 25 C 5.0054 8.4324 124.4101 57.7028 32.4054 173.4473 26 A 4.2546 9.5261 129.8269 53.7301 19.1053 176.0834 27 D 5.0375 7.8346 113.8522 51.6387 42.4489 175.2200 28 N 5.0670 7.7301 113.2891 52.7469 38.3989 176.4414 29 S 3.8498 7.7129 112.1031 59.0868 64.1079 175.2219 30 G 3.9118 7.2429 107.4980 45.4195 0.0000 173.8786 31 A 4.2961 7.5603 123.7667 51.7352 19.1039 177.5634 32 R 4.3464 8.2310 121.0495 56.4138 31.2869 176.0440 33 N 4.4999 7.2939 112.9811 52.9359 42.2053 173.1848 34 L 4.9972 8.8688 125.9559 53.1393 45.9591 174.5729 35 Y 5.2613 8.9076 121.6853 55.9480 42.1191 173.9939 36 I 4.3216 7.9539 127.4332 60.3625 38.5961 175.9573 37 I 4.0022 8.3777 123.8961 63.3906 38.6948 175.5768 38 A 4.5739 7.6036 121.8941 50.7959 22.7198 174.8146 39 V 4.4892 8.1480 118.5032 61.0302 34.0672 176.2920 40 K 4.2327 8.8025 129.9588 53.5135 29.8710 176.1966 41 G 4.0302 8.6496 108.4136 44.7921 0.0000 171.7917 42 S 4.4382 7.9170 114.2274 57.7671 63.2661 173.2371 43 G 4.2204 8.2458 112.2292 44.0626 0.0000 172.0621 44 S 4.6350 8.3536 117.5436 57.1209 66.8322 172.5728 45 R 4.6465 8.1219 119.3449 54.2793 31.4204 175.7313 46 L 4.0394 8.1466 118.5085 56.2030 41.9762 177.7938 47 N 3.9312 8.8513 117.8684 53.7907 36.5070 173.8392 48 R 4.5855 7.2110 117.6268 54.0385 31.8237 176.0627 49 L 4.2163 8.3683 123.6417 53.6460 42.5388 175.0036 50 P 4.5629 0.0000 0.0000 62.8132 32.5264 174.9637 51 A 5.0638 8.6158 123.2814 50.1417 22.3668 174.7980 52 A 4.9850 9.0007 121.3865 50.5806 23.3606 175.5756 53 S 5.3434 8.1361 111.2458 57.0886 65.8141 172.8235 54 L 4.2041 8.7040 122.3530 57.1568 41.8344 176.9772 55 G 4.2382 8.9168 114.9842 45.3808 0.0000 173.4884 56 D 4.7528 8.1694 119.6981 54.4697 42.4736 174.9241 57 M 4.7021 8.6427 120.8531 54.4180 34.1229 174.9794 58 V 4.8872 8.6331 124.9468 61.3830 36.0400 173.5891 59 M 5.0990 8.5782 123.5997 53.6882 34.5082 175.1082 60 A 5.0712 8.7442 123.4354 51.0591 23.7499 174.4317 61 T 4.9246 8.5633 112.4794 59.4262 71.1019 173.2073 62 V 4.5290 8.1785 126.9106 61.3601 32.0882 176.3661 63 K 4.0661 8.5390 129.3209 58.8734 33.1438 176.8448 64 K 4.5069 8.8661 119.1524 53.8616 35.3226 174.1044 65 G 4.2737 8.6212 107.3805 42.3295 0.0000 172.8773 66 K 4.0417 8.2496 121.3779 55.6879 32.6029 175.6638 67 P 4.0878 0.0000 0.0000 65.5797 31.7083 177.7234 68 E 4.1025 8.1915 116.1527 59.1082 30.0420 178.1258 69 L 4.1507 7.7903 119.4112 56.8666 42.1488 177.6326 70 R 4.5417 8.2079 117.2096 56.8208 30.3579 176.7416 71 K 3.8334 8.7020 118.9200 56.8045 30.0819 175.2569 72 K 4.5480 7.6433 119.8279 54.5498 34.4168 174.4885 73 V 4.5716 8.0676 122.0092 61.4323 33.2404 174.4661 74 M 4.8986 8.9392 126.4781 53.3822 36.1296 172.4374 75 P 4.9947 0.0000 0.0000 62.7080 33.4584 174.7681 76 A 4.9143 8.5814 122.6540 50.7619 23.6543 174.9245 77 I 5.3559 8.4956 112.0958 57.9580 40.9591 175.0218 78 V 4.2440 8.2739 125.1850 61.1331 32.0048 176.6876 79 V 3.7710 8.6780 126.2349 64.8522 32.9801 175.7520 80 R 4.3830 7.5100 116.8024 54.8366 34.8967 173.8923 81 Q 4.8777 8.8076 119.6346 55.2064 32.0089 175.1815 82 A 4.4044 9.2300 127.6982 54.1943 18.7759 178.5021 83 K 4.3060 7.8532 115.8811 55.4842 31.9638 176.2780 84 S 4.7119 8.5887 119.7988 58.5337 63.8322 172.3665 85 W 4.9357 9.4213 135.0000 55.4605 33.8421 173.9016 86 R 4.7954 7.7148 125.8067 54.6512 31.9025 175.6939 87 R 3.5507 8.0790 125.5219 54.1261 31.8858 177.6049 88 R 4.0177 8.0573 119.2943 59.5728 30.2635 177.4121 89 D 4.3797 8.0204 116.3440 55.8976 39.4362 176.6981 90 G 3.7692 7.1738 105.0924 45.1312 0.0000 174.3765 91 V 3.6327 7.3831 120.2983 62.6330 32.1949 174.2499 92 F 5.3080 8.3475 123.5312 56.0511 40.5656 175.1659 93 L 4.6686 8.9184 122.9755 53.0057 44.9548 175.1241 94 Y 5.1706 7.0975 119.1014 55.6361 41.3557 173.4606 95 F 4.7322 8.6434 117.5498 55.3785 42.6163 176.7544 96 E 3.9587 9.3231 120.7380 58.8806 29.5196 175.5946 97 D 5.1675 7.9687 114.9209 51.5656 43.1510 174.3258 98 N 5.2089 8.5879 114.9814 51.7591 40.5817 174.4004 99 A 5.1091 8.6962 124.0225 50.7309 23.4739 174.8176 100 G 4.4548 8.7756 105.2042 44.8641 0.0000 171.8440 101 V 4.8192 8.2340 112.9272 59.1450 35.2646 175.8227 102 I 4.6006 8.4833 117.3476 59.2550 37.4571 175.2901 103 A 4.2796 8.1624 129.6426 51.4649 19.9650 176.0229 104 N 4.7631 8.2921 116.4441 51.0841 40.1746 175.2558 105 P 4.3623 0.0000 0.0000 65.2029 31.6149 177.7926 106 K 3.9781 8.0047 119.9498 57.9279 32.2183 177.4838 107 G 4.0491 8.0435 105.6814 44.9900 0.0000 173.4057 108 E 4.2375 7.8639 119.1434 55.7251 30.3406 176.0327 109 M 4.7116 8.1589 120.3062 55.6048 32.7201 176.4752 110 K 4.6205 8.2758 115.0406 56.5289 36.5513 176.8293 111 G 4.2736 7.6359 105.1213 43.5674 0.0000 172.7715 112 S 4.1579 8.7934 116.1289 60.8490 62.5805 174.1589 113 A 4.8031 7.5654 119.4453 50.3441 23.0762 174.4857 114 I 4.5930 7.8334 118.0532 59.8330 40.4742 174.6406 115 T 4.4517 8.6349 119.7975 61.3607 69.7919 174.7206 116 G 3.9740 9.0878 114.3488 44.2349 0.0000 170.5210 117 P 4.8920 0.0000 0.0000 62.2994 32.7961 175.9221 118 V 4.2487 8.1451 119.1018 59.5330 34.8690 175.1546 119 G 4.2022 7.7826 109.7797 45.1745 0.0000 175.0121 120 K 4.0845 8.8627 123.4378 59.1913 31.5956 179.3856 121 E 3.9125 8.0298 117.5026 59.7448 29.3121 179.0110 122 C 4.2637 7.8611 117.2990 62.3664 27.9518 175.8776 123 A 4.0277 7.7713 121.1020 55.1938 18.1245 178.9143 124 D 4.4009 7.9287 116.3224 57.3668 40.9845 178.5516 125 L 4.0490 7.3573 118.2901 56.4811 43.2247 177.2458 126 W 4.4829 7.9775 122.0739 53.2936 29.1346 174.1233 127 P 4.3554 0.0000 0.0000 65.7281 30.5462 178.6190 128 R 4.0040 8.0761 116.7331 58.8083 30.3409 178.5336 129 V 3.7429 7.9363 117.9070 65.8043 31.4348 177.8980 130 A 4.0423 8.0764 120.0926 55.2607 18.0371 179.4933 131 S 4.1600 7.7931 112.4511 60.9273 62.9253 174.8779 132 N 4.9254 8.0812 117.6880 52.8666 38.7886 173.7057 133 S 4.7683 7.6076 115.6587 56.8093 64.0790 174.8315 134 G 3.7219 8.8199 115.1895 47.9727 0.0000 173.7292 135 V 4.5556 7.5070 118.8655 60.7970 35.2313 174.5000 136 V 4.9703 8.4816 119.7313 59.4932 34.9197 175.9124 137 V 4.1182 8.4719 123.3960 62.0112 31.6540 175.0620 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 *7 Q 8.33 4.30 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 8 G 8.40 3.54 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 0.00 0.00 0.00 9 T 9.32 3.86 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 1.49 0.00 0.00 10 K 8.95 4.12 0.00 1.56 2.00 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.42 7.81 11 F 7.70 5.30 0.00 3.12 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 12 R 7.77 4.47 0.00 1.66 1.63 0.00 3.18 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 13 I 7.70 4.51 1.10 0.00 0.00 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 1.40 1.07 0.85 0.00 0.00 14 S 7.82 4.78 0.00 3.90 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 15 L 8.57 4.12 0.00 1.64 1.64 0.93 0.92 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 16 G 8.97 3.78 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 0.00 0.00 0.00 17 L 7.84 4.61 0.00 1.82 1.54 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.98 0.00 2.14 1.95 0.00 3.57 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 2.07 2.08 0.00 19 V 7.50 3.59 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 0.70 0.00 0.00 0.90 0.00 0.00 20 G 8.46 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 0.00 0.00 0.00 21 A 7.19 4.19 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 22 I 8.21 4.85 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.96 0.00 0.00 23 M 8.90 4.94 0.00 2.09 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 2.50 2.45 0.00 24 N 8.80 4.75 0.00 2.93 2.89 0.00 0.00 6.99 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 25 C 8.43 5.01 0.00 3.00 2.95 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 26 A 9.53 4.25 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 27 D 7.83 5.04 0.00 2.90 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 28 N 7.73 5.07 0.00 2.91 2.77 0.00 0.00 7.22 7.45 0.00 0.00 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 S 7.71 3.85 0.00 3.96 4.09 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 30 G 7.24 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 31 A 7.56 4.30 1.22 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 0.00 0.00 0.00 32 R 8.23 4.35 0.00 1.81 1.98 0.00 3.26 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 33 N 7.29 4.50 0.00 2.72 2.61 0.00 0.00 7.03 6.66 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 34 L 8.87 5.00 0.00 1.57 1.55 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.91 5.26 0.00 2.88 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 36 I 7.95 4.32 1.80 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 1.19 1.36 0.86 0.00 0.00 37 I 8.38 4.00 1.91 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 1.28 0.77 1.02 0.00 0.00 38 A 7.60 4.57 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 39 V 8.15 4.49 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 0.98 0.00 0.00 40 K 8.80 4.23 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 41 G 8.65 4.03 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 0.00 0.00 0.00 42 S 7.92 4.44 0.00 3.86 3.78 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 43 G 8.25 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 0.00 0.00 0.00 0.00 44 S 8.35 4.64 0.00 3.81 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 45 R 8.12 4.65 0.00 1.77 1.85 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 46 L 8.15 4.04 0.00 1.67 1.59 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.85 3.93 0.00 2.87 2.92 0.00 0.00 6.88 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 48 R 7.21 4.59 0.00 2.12 1.84 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 49 L 8.37 4.22 0.00 1.63 1.59 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.56 0.00 2.11 2.17 0.00 3.62 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 2.06 1.97 0.00 51 A 8.62 5.06 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 52 A 9.00 4.99 1.22 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 0.00 0.00 0.00 53 S 8.14 5.34 0.00 4.12 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 54 L 8.70 4.20 0.00 1.95 2.22 1.04 0.63 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 55 G 8.92 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 56 D 8.17 4.75 0.00 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 57 M 8.64 4.70 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 58 V 8.63 4.89 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 0.96 0.00 0.00 0.93 0.00 0.00 59 M 8.58 5.10 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 60 A 8.74 5.07 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 61 T 8.56 4.92 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 1.40 0.00 0.00 62 V 8.18 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 1.05 0.00 0.00 0.96 0.00 0.00 63 K 8.54 4.07 0.00 1.71 1.85 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.60 1.38 7.81 64 K 8.87 4.51 0.00 1.66 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.44 7.81 65 G 8.62 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 0.00 0.00 0.00 66 K 8.25 4.04 0.00 1.79 1.78 0.00 1.71 0.00 0.00 2.00 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 67 P 0.00 4.09 0.00 2.21 2.16 0.00 3.82 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 1.98 1.94 0.00 68 E 8.19 4.10 0.00 2.09 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 2.27 2.33 0.00 69 L 7.79 4.15 0.00 1.77 1.74 0.91 0.95 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 70 R 8.21 4.54 0.00 1.92 1.85 0.00 3.42 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 71 K 8.70 3.83 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.33 7.81 72 K 7.64 4.55 0.00 1.95 1.66 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.38 7.81 73 V 8.07 4.57 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 0.88 0.00 0.00 0.95 0.00 0.00 74 M 8.94 4.90 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 75 P 0.00 4.99 0.00 2.08 1.99 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 76 A 8.58 4.91 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 77 I 8.50 5.36 1.67 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 0.36 1.28 0.14 0.00 0.00 78 V 8.27 4.24 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 0.81 0.00 0.00 1.06 0.00 0.00 79 V 8.68 3.77 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 0.78 0.00 0.00 0.89 0.00 0.00 80 R 7.51 4.38 0.00 1.66 1.73 0.00 3.12 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 81 Q 8.81 4.88 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 82 A 9.23 4.40 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 83 K 7.85 4.31 0.00 1.78 1.79 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 84 S 8.59 4.71 0.00 3.94 3.68 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 85 W 9.42 4.94 0.00 3.67 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 86 R 7.71 4.80 0.00 1.99 1.67 0.00 2.69 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 87 R 8.08 3.55 0.00 1.70 1.37 0.00 3.03 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 88 R 8.06 4.02 0.00 2.26 2.24 0.00 3.32 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 89 D 8.02 4.38 0.00 2.79 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 90 G 7.17 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 91 V 7.38 3.63 1.96 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 0.89 0.00 0.00 0.90 0.00 0.00 92 F 8.35 5.31 0.00 3.02 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 93 L 8.92 4.67 0.00 1.58 1.20 0.79 0.32 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 94 Y 7.10 5.17 0.00 2.81 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 95 F 8.64 4.73 0.00 3.49 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 96 E 9.32 3.96 0.00 2.03 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 2.29 0.00 97 D 7.97 5.17 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 98 N 8.59 5.21 0.00 2.68 2.79 0.00 0.00 6.46 7.73 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 99 A 8.70 5.11 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 0.00 100 G 8.78 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.23 4.82 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 0.68 0.00 0.00 0.82 0.00 0.00 102 I 8.48 4.60 1.82 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 1.19 1.48 0.92 0.00 0.00 103 A 8.16 4.28 0.91 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 0.00 104 N 8.29 4.76 0.00 2.98 2.81 0.00 0.00 7.17 8.88 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 0.00 105 P 0.00 4.36 0.00 2.20 2.20 0.00 3.76 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 2.00 1.96 0.00 106 K 8.00 3.98 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 107 G 8.04 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 0.00 108 E 7.86 4.24 0.00 2.04 1.88 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 2.40 2.33 0.00 109 M 8.16 4.71 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 110 K 8.28 4.62 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.35 7.81 111 G 7.64 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 0.00 0.00 0.00 112 S 8.79 4.16 0.00 3.86 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 0.00 113 A 7.57 4.80 1.18 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 0.00 114 I 7.83 4.59 1.94 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 1.15 0.90 0.97 0.00 0.00 115 T 8.63 4.45 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 1.28 0.00 0.00 116 G 9.09 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 0.00 117 P 0.00 4.89 0.00 2.20 2.14 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 118 V 8.15 4.25 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 0.75 0.00 0.00 0.85 0.00 0.00 119 G 7.78 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 0.00 120 K 8.86 4.08 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.57 7.81 121 E 8.03 3.91 0.00 2.09 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 1.88 1.47 0.00 122 C 7.86 4.26 0.00 2.93 3.06 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 0.00 123 A 7.77 4.03 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 0.00 124 D 7.93 4.40 0.00 2.58 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 0.00 125 L 7.36 4.05 0.00 1.79 1.56 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 126 W 7.98 4.48 0.00 3.61 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 0.00 127 P 0.00 4.36 0.00 2.27 2.31 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 128 R 8.08 4.00 0.00 1.96 2.10 0.00 3.41 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 129 V 7.94 3.74 2.33 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 0.99 0.00 0.00 0.88 0.00 0.00 130 A 8.08 4.04 1.47 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 0.00 0.00 0.00 131 S 7.79 4.16 0.00 3.86 3.96 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 0.00 132 N 8.08 4.93 0.00 2.88 2.76 0.00 0.00 6.74 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 0.00 133 S 7.61 4.77 0.00 3.96 3.78 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 0.00 134 G 8.82 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 0.00 0.00 0.00 135 V 7.51 4.56 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 1.03 0.00 0.00 0.94 0.00 0.00 136 V 8.48 4.97 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 0.80 0.00 0.00 0.93 0.00 0.00 137 V 8.47 4.12 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 1.09 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.