NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 K 4.3331 8.2993 122.1404 54.2979 33.7110 176.4073 10 C 4.2737 8.0490 115.4775 55.5980 30.3677 171.8272 11 P 4.2849 0.0000 0.0000 65.2068 32.9192 176.7577 12 L 4.9422 7.2131 122.3282 53.9753 44.8518 174.6210 13 M 5.0318 9.2068 125.3714 53.9189 36.4829 173.7168 14 V 5.0344 8.6551 123.0429 59.9840 35.2832 174.2842 15 K 4.8612 8.4822 127.0547 54.7771 35.2791 174.4699 16 V 4.8200 8.5628 127.9519 61.0877 34.0474 174.4165 17 L 5.1833 8.5439 126.3868 52.9310 46.3517 174.7616 18 D 5.2696 9.8072 121.3737 52.8649 42.3976 176.6564 19 A 4.3322 9.0091 128.1969 53.8228 18.8420 178.9310 20 V 3.7921 8.3302 115.1139 65.7323 31.7688 177.1950 21 R 4.3851 8.3754 115.8202 55.6342 31.2634 176.2476 22 G 3.8147 9.4871 105.5081 45.6674 0.0000 172.7201 23 S 4.7539 7.6196 111.7422 55.9098 66.6140 171.8956 24 P 4.3156 0.0000 0.0000 63.1374 31.9820 175.7713 25 A 4.4505 8.4441 123.4484 50.6169 20.1467 176.1672 26 I 4.2416 8.4021 123.0229 61.4652 38.6578 175.9923 27 N 4.1505 8.8074 122.8786 54.3029 36.7531 174.5882 28 V 4.1149 8.0336 118.1577 61.8623 33.1915 175.0398 29 A 4.5137 8.5903 130.0335 51.9180 19.8540 176.1338 30 V 4.7899 8.8175 121.5726 61.3710 35.5811 174.0877 31 H 4.9004 9.3238 123.7063 54.0935 32.5536 172.2989 32 V 4.7274 8.7821 124.2201 61.3958 33.6002 174.6782 33 F 5.5789 9.1997 125.0998 55.7956 43.8464 173.5859 34 R 4.7601 9.3243 119.4041 54.3355 33.3718 174.0559 35 K 3.9644 8.5197 128.0209 55.9794 32.1890 176.5746 36 A 4.2251 9.9202 130.0582 51.2385 19.4775 178.3118 37 A 4.2988 8.4360 123.0155 55.4765 18.5928 179.1038 38 D 4.2126 7.7595 113.8652 55.7022 41.4438 176.3856 39 D 4.4269 9.3114 117.2803 54.1097 39.7798 173.1135 40 T 4.5105 7.1286 107.0244 59.4405 71.7887 173.4097 41 W 4.9945 8.6226 124.1484 56.5787 29.8169 175.3832 42 E 4.7193 9.4248 126.2604 53.9645 30.9680 173.1485 43 P 4.2846 0.0000 0.0000 63.6960 31.3758 175.3934 44 F 4.4985 8.8476 127.4477 59.6596 40.6955 175.3609 45 A 4.3586 7.6569 117.2662 52.1091 22.1099 175.0937 46 S 4.7259 8.4908 112.8850 58.1626 67.0165 174.5152 47 G 4.1072 8.2971 108.8721 45.7864 0.0000 171.7814 48 K 5.2632 8.3212 118.2351 54.4355 35.9445 176.8427 49 T 4.4642 8.5280 113.3025 61.4608 70.7951 174.8138 50 S 4.7428 8.4179 118.4667 56.8057 64.9255 174.7066 51 E 4.1445 8.7344 119.3600 59.1976 29.0234 178.4416 52 S 4.4112 8.1258 110.8853 58.0695 63.8357 175.0449 53 G 3.9998 8.8090 111.2166 44.4904 0.0000 172.7929 54 E 5.0029 7.4320 118.5797 54.8238 32.7035 175.3887 55 L 4.5546 8.5398 123.7503 54.5142 45.0323 174.4243 56 H 5.0399 8.5424 122.4689 54.4673 32.7261 174.2865 57 G 3.8892 8.9260 105.1488 46.0602 0.0000 174.8359 58 L 4.0937 7.8190 119.2340 57.3863 42.1371 177.2838 59 T 4.5380 7.2289 114.1383 62.6717 71.8113 172.8999 60 T 4.7144 8.1755 115.0031 60.7202 70.6855 175.1867 61 E 4.1331 9.0302 126.7808 59.2537 29.8026 178.0826 62 E 4.3243 8.2238 116.8492 58.6265 30.1523 177.3907 63 Q 4.1462 8.1076 118.1592 58.2936 29.9766 176.0047 64 F 5.0151 7.9806 122.1954 57.1622 37.8687 174.1660 65 V 3.9802 7.4495 116.1848 60.5306 33.0493 176.2058 66 E 4.7875 7.9107 119.5790 55.6660 29.9168 177.2342 67 G 3.8649 7.6066 107.5390 45.0509 0.0000 170.7214 68 I 4.7072 7.2743 120.1190 59.8051 39.0407 174.9375 69 Y 4.9890 8.7088 124.7233 55.8357 41.7408 174.7401 70 K 4.8842 8.9101 123.0084 54.7410 35.2329 174.8117 71 V 4.6302 9.1255 128.5663 61.4829 33.4636 173.8967 72 E 5.0437 9.0825 128.8779 54.4387 32.0236 174.3139 73 I 4.6720 8.9560 127.6617 59.3209 40.0741 175.5462 74 D 4.8589 9.1077 129.6321 52.7453 39.6842 175.6396 75 T 3.9163 7.9872 114.8436 64.5486 68.9023 176.6975 76 K 3.8455 7.2073 120.7175 59.2968 31.9959 177.9901 77 S 4.1268 8.6033 114.2516 62.2090 63.2916 176.5923 78 Y 3.7703 7.8808 121.6098 60.4123 38.3845 178.1810 79 W 4.4048 8.0471 119.3894 59.3449 29.2815 178.9658 80 K 4.2368 8.3394 119.2021 58.9539 31.4874 178.9464 81 A 4.0907 7.8778 121.1153 54.4451 18.3258 178.0865 82 L 4.4412 7.4456 112.2694 55.5032 40.5049 177.3848 83 G 4.0059 8.8935 107.1252 45.5650 0.0000 173.6692 84 I 4.4305 8.2091 120.9034 59.2709 39.6737 174.9659 85 S 4.7397 8.5249 119.6198 56.3388 61.5512 171.9296 86 P 4.3295 0.0000 0.0000 61.5148 32.2119 176.9702 87 F 3.9067 7.6761 122.8581 61.4040 39.2663 175.6469 88 H 4.5053 7.6682 115.6420 54.8174 30.2507 175.4423 89 E 4.0677 8.6497 122.8121 59.3589 29.6999 176.0802 90 H 4.9730 7.6894 109.5770 53.8263 31.9950 171.2983 91 A 4.4359 8.2905 118.9405 49.2766 21.4960 174.9544 92 E 5.1121 9.0272 123.4425 54.6457 32.3704 175.1292 93 V 4.5042 9.2428 126.8840 61.1303 34.3149 174.0570 94 V 5.0585 8.6820 128.0836 61.1785 33.3914 174.3421 95 F 5.1313 9.0786 122.2598 55.9680 42.1476 173.1791 96 T 4.8969 8.7618 115.9676 62.5306 69.2937 174.4075 97 A 4.6381 9.0540 128.6028 50.0239 22.5609 175.4701 98 N 4.4173 8.9419 113.5486 52.8488 37.0535 176.9884 99 D 4.4055 8.3578 119.0424 55.7244 39.7819 176.7855 100 S 4.6485 8.2914 115.0225 57.8679 63.5924 174.8844 101 G 4.0205 8.1253 105.6716 44.0944 0.0000 171.7411 102 P 4.3914 0.0000 0.0000 63.1613 31.0654 175.3881 103 R 4.8471 10.0915 121.9795 54.3525 34.5142 174.4170 104 R 4.7439 9.2317 119.4186 55.0298 32.6802 174.9998 105 Y 4.8414 9.3160 122.4439 56.4952 40.7937 175.1573 106 T 4.8628 8.5191 119.6240 61.9278 71.9016 172.8184 107 I 4.6696 8.2438 128.5942 59.9476 38.7445 175.0451 108 A 5.2976 8.8550 128.8868 50.0748 22.4633 174.6850 109 A 5.0514 9.0530 121.8961 50.0326 22.5451 174.8576 110 L 4.5833 9.2398 125.6184 53.6652 43.7766 175.0702 111 L 5.4851 8.7480 126.8454 53.4585 44.6006 176.0203 112 S 5.0771 9.7150 117.9886 55.8902 67.1854 173.4515 113 P 3.2022 0.0000 0.0000 65.2921 30.9087 177.4010 114 Y 3.9290 7.6548 113.0538 56.7973 38.4998 174.9200 115 S 4.7289 7.8900 113.2304 57.5458 65.9770 173.0408 116 Y 5.6881 8.0206 123.4798 55.7296 41.5708 173.6398 117 S 5.0372 9.4849 115.3064 57.0223 66.8567 172.6400 118 T 5.6124 8.8000 114.8498 59.7201 70.4962 172.7350 119 T 4.9097 8.5612 116.2653 59.8439 72.8605 172.1050 120 A 5.1631 8.5346 123.1617 50.1304 22.3263 175.8285 121 V 4.2135 8.8459 121.2174 61.2367 34.2199 174.4061 122 V 4.5971 8.2853 127.6170 61.6904 33.6601 174.6353 123 T 4.6877 8.2468 121.3057 62.2662 73.6038 172.6162 124 N 4.9771 8.5062 120.9287 51.7644 39.6587 173.9115 125 P 4.3495 0.0000 0.0000 66.2843 31.7772 177.1346 126 K 4.1042 7.7206 122.6107 55.1561 32.3602 177.1622 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 *9 K 8.30 4.33 0.00 1.51 1.65 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 10 C 8.05 4.27 0.00 3.14 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 11 P 0.00 4.28 0.00 1.98 2.59 0.00 3.63 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 1.98 2.16 0.00 12 L 7.21 4.94 0.00 0.89 1.07 0.90 0.61 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 13 M 9.21 5.03 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 14 V 8.66 5.03 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 1.20 0.00 0.00 0.89 0.00 0.00 15 K 8.48 4.86 0.00 1.77 1.57 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 V 8.56 4.82 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 0.66 0.00 0.00 0.81 0.00 0.00 17 L 8.54 5.18 0.00 1.61 1.49 0.92 0.78 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 18 D 9.81 5.27 0.00 2.74 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 19 A 9.01 4.33 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 20 V 8.33 3.79 2.73 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 0.95 0.00 0.00 0.99 0.00 0.00 21 R 8.38 4.39 0.00 2.11 2.03 0.00 3.38 0.00 0.00 3.59 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 22 G 9.49 3.81 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 0.00 0.00 0.00 23 S 7.62 4.75 0.00 3.88 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 24 P 0.00 4.32 0.00 2.08 2.15 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 25 A 8.44 4.45 0.53 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 26 I 8.40 4.24 1.91 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 1.48 0.61 0.91 0.00 0.00 27 N 8.81 4.15 0.00 2.79 2.90 0.00 0.00 6.92 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 28 V 8.03 4.11 1.93 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 0.76 0.00 0.00 0.52 0.00 0.00 29 A 8.59 4.51 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 30 V 8.82 4.79 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 0.92 0.00 0.00 0.86 0.00 0.00 31 H 9.32 4.90 0.00 3.11 2.67 0.00 5.84 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.78 4.73 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 1.06 0.00 0.00 0.93 0.00 0.00 33 F 9.20 5.58 0.00 2.90 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 34 R 9.32 4.76 0.00 1.72 1.75 0.00 2.90 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 35 K 8.52 3.96 0.00 0.91 1.26 0.00 1.38 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.55 7.81 36 A 9.92 4.23 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 37 A 8.44 4.30 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 38 D 7.76 4.21 0.00 2.57 2.64 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 39 D 9.31 4.43 0.00 2.73 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 40 T 7.13 4.51 4.21 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 1.30 0.00 0.00 41 W 8.62 4.99 0.00 2.99 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 42 E 9.42 4.72 0.00 2.11 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 2.35 2.38 0.00 43 P 0.00 4.28 0.00 1.99 2.09 0.00 3.82 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 44 F 8.85 4.50 0.00 3.22 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 45 A 7.66 4.36 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 46 S 8.49 4.73 0.00 3.57 3.61 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 47 G 8.30 4.11 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 0.00 0.00 0.00 48 K 8.32 5.26 0.00 1.56 1.64 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.36 7.81 49 T 8.53 4.46 4.16 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 1.17 0.00 0.00 50 S 8.42 4.74 0.00 4.03 4.19 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 0.00 0.00 0.00 51 E 8.73 4.14 0.00 1.97 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 2.31 2.26 0.00 52 S 8.13 4.41 0.00 3.97 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 53 G 8.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.43 5.00 0.00 1.97 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 55 L 8.54 4.55 0.00 1.63 1.39 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.54 5.04 0.00 2.96 3.14 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.93 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 58 L 7.82 4.09 0.00 1.71 1.71 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.23 4.54 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 1.47 0.00 0.00 60 T 8.18 4.71 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 1.31 0.00 0.00 61 E 9.03 4.13 0.00 2.01 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 2.36 2.52 0.00 62 E 8.22 4.32 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 2.32 2.26 0.00 63 Q 8.11 4.15 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.58 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 F 7.98 5.02 0.00 3.18 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 65 V 7.45 3.98 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 0.85 0.00 0.00 1.06 0.00 0.00 66 E 7.91 4.79 0.00 1.92 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 0.00 2.53 2.25 0.00 67 G 7.61 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 68 I 7.27 4.71 1.66 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 1.32 0.68 1.05 0.00 0.00 69 Y 8.71 4.99 0.00 1.94 2.56 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 70 K 8.91 4.88 0.00 0.79 0.74 0.00 1.13 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.07 7.81 71 V 9.13 4.63 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 0.88 0.00 0.00 1.07 0.00 0.00 72 E 9.08 5.04 0.00 2.18 1.94 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 2.09 1.88 0.00 73 I 8.96 4.67 1.73 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 0.79 0.78 0.00 0.00 74 D 9.11 4.86 0.00 2.61 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 75 T 7.99 3.92 4.44 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 0.00 0.00 0.00 1.06 0.00 0.00 76 K 7.21 3.85 0.00 2.24 1.94 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 77 S 8.60 4.13 0.00 4.30 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 78 Y 7.88 3.77 0.00 2.91 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 79 W 8.05 4.40 0.00 3.48 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 80 K 8.34 4.24 0.00 1.84 1.88 0.00 2.00 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.44 7.81 81 A 7.88 4.09 1.24 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 82 L 7.45 4.44 0.00 1.65 1.45 1.02 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.89 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 84 I 8.21 4.43 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.90 0.00 0.00 85 S 8.52 4.74 0.00 3.86 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 86 P 0.00 4.33 0.00 2.11 1.85 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 87 F 7.68 3.91 0.00 1.51 2.44 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 0.00 0.00 0.00 0.00 88 H 7.67 4.51 0.00 3.23 3.40 0.00 5.95 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 89 E 8.65 4.07 0.00 1.84 1.94 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 2.27 2.17 0.00 90 H 7.69 4.97 0.00 3.14 3.29 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.29 4.44 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.03 5.11 0.00 2.03 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 2.14 2.13 0.00 93 V 9.24 4.50 2.24 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 0.95 0.00 0.00 1.00 0.00 0.00 94 V 8.68 5.06 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 1.11 0.00 0.00 0.91 0.00 0.00 95 F 9.08 5.13 0.00 3.20 3.19 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 0.00 0.00 0.00 96 T 8.76 4.90 4.34 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 1.28 0.00 0.00 97 A 9.05 4.64 0.63 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 98 N 8.94 4.42 0.00 2.71 2.82 0.00 0.00 6.67 8.17 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 99 D 8.36 4.41 0.00 2.80 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 0.00 100 S 8.29 4.65 0.00 3.88 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 0.00 101 G 8.13 4.02 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 0.00 0.00 0.00 102 P 0.00 4.39 0.00 2.26 2.22 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 103 R 10.09 4.85 0.00 1.00 1.68 0.00 3.12 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 104 R 9.23 4.74 0.00 1.54 1.82 0.00 3.32 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 105 Y 9.32 4.84 0.00 2.86 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 0.00 106 T 8.52 4.86 4.21 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 1.18 0.00 0.00 107 I 8.24 4.67 1.84 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 1.02 0.94 0.90 0.00 0.00 108 A 8.86 5.30 1.20 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 0.00 109 A 9.05 5.05 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 0.00 110 L 9.24 4.58 0.00 1.77 1.62 0.97 0.50 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 0.00 111 L 8.75 5.49 0.00 2.04 2.03 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.72 5.08 0.00 3.89 3.66 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 0.00 113 P 0.00 3.20 0.00 2.05 1.57 0.00 3.36 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.47 0.00 114 Y 7.65 3.93 0.00 2.89 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 0.00 115 S 7.89 4.73 0.00 3.89 3.70 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 0.00 116 Y 8.02 5.69 0.00 3.09 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 0.00 117 S 9.48 5.04 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 5.61 4.38 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 1.35 0.00 0.00 119 T 8.56 4.91 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 1.23 0.00 0.00 120 A 8.53 5.16 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 0.00 121 V 8.85 4.21 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 0.89 0.00 0.00 0.91 0.00 0.00 122 V 8.29 4.60 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 0.12 0.00 0.00 0.82 0.00 0.00 123 T 8.25 4.69 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 1.17 0.00 0.00 124 N 8.51 4.98 0.00 2.68 2.68 0.00 0.00 6.95 8.02 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 0.00 125 P 0.00 4.35 0.00 2.06 2.16 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 126 K 7.72 4.10 0.00 1.72 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.