NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3239 8.3349 116.7546 58.3285 64.1509 173.5248 -1 N 4.5176 8.5326 122.7528 51.4806 39.5200 173.3293 0 A 4.1578 8.4742 123.3451 54.2094 19.7593 177.6736 1 G 3.6773 8.7525 110.6196 46.0365 0.0000 173.7122 1 K 4.0373 8.7125 122.2196 57.1365 30.0058 175.4122 4 A 4.2219 9.0328 127.4387 51.4836 19.1509 177.1881 5 A 3.9973 7.9464 124.1012 52.3907 18.7897 177.2360 6 D 4.6971 8.6800 122.0106 53.6633 42.7188 174.9252 7 F 4.8476 7.5533 115.5405 56.7103 40.7289 172.4040 8 T 4.9202 8.8067 116.8940 62.3731 70.0853 173.5956 9 Y 5.1599 8.7312 123.1766 55.3369 42.2901 174.3716 10 V 5.0807 8.7469 113.3449 59.7869 34.9861 176.5776 11 T 5.1535 8.8343 115.2152 60.8903 70.0157 175.9626 12 V 3.7465 8.3515 114.0426 64.5674 31.4377 177.1611 13 H 4.5579 8.0853 114.6678 55.8118 28.6443 175.9642 14 G 4.0570 8.3084 107.7130 45.7634 0.0000 173.2609 15 D 4.7823 7.8838 120.9096 53.5848 41.9422 175.5400 16 N 5.7321 8.9079 120.8732 51.6865 39.5230 174.1013 17 S 4.3405 7.4332 113.6103 57.5454 66.8793 172.0100 18 R 5.1178 8.3536 119.1775 55.1227 30.2417 177.0301 *20 S 4.4494 8.5048 106.7333 58.0681 64.9515 176.3566 21 R 3.9651 7.8492 119.7745 58.6931 29.9820 177.4403 22 L 4.0206 7.1694 115.2978 54.6504 41.9311 176.1988 23 K 4.4757 8.2232 124.1463 54.5715 34.1737 174.6420 24 A 4.4210 8.1081 124.7504 51.0039 21.8272 176.2789 25 Q 3.8189 9.0743 121.5923 59.1848 29.6201 176.6889 26 Y 5.1091 8.2252 114.1114 56.8309 42.9342 175.1547 27 T 5.4053 8.5024 117.4729 60.8861 73.4703 172.1011 *29 L 4.1439 8.2901 120.1216 55.1355 43.5422 175.9776 30 F 4.8779 8.5435 126.2052 56.3689 41.6089 173.5016 31 F 5.2226 8.7133 126.9551 56.5109 40.2142 174.9666 32 Y 5.1241 8.6236 120.7630 55.3630 42.0842 173.2276 33 D 5.2701 8.6083 118.6277 51.6227 43.5830 175.1150 34 P 4.7047 0.0000 0.0000 65.0685 31.4332 176.2410 35 D 4.9692 8.5236 119.3015 53.8757 41.9376 175.2947 36 C 4.7244 7.8798 119.2623 57.9557 33.6289 173.5199 37 S 4.2420 8.6682 122.1666 61.3844 62.1968 175.7803 38 N 4.5449 8.2344 118.9945 56.0821 38.2514 177.0234 39 C 4.4644 8.1975 117.8744 63.1165 28.3603 175.8548 40 R 4.1218 8.0892 119.5853 59.3135 29.6321 178.9452 41 K 3.9337 8.1787 119.0989 59.5534 32.2442 178.3334 42 F 4.0896 8.4867 120.8263 61.6485 39.3640 176.9377 43 E 3.8560 8.8041 118.3096 59.1990 28.9700 179.3502 44 K 3.9080 8.0752 118.8048 59.5315 32.6118 178.6314 45 L 4.0621 8.0995 119.4221 57.5617 41.4687 179.2991 46 F 3.9440 8.3394 120.5511 61.1945 39.2312 176.9505 47 A 4.3137 7.9229 118.1313 54.1924 18.1331 178.2187 48 E 4.6469 7.5857 115.4975 55.1793 30.5696 176.3009 49 I 4.0261 7.2291 122.3400 58.4969 37.1728 174.1421 50 P 4.1880 0.0000 0.0000 65.5634 30.9594 178.1039 51 A 4.0334 7.7245 118.1167 55.0645 18.3869 179.3089 52 F 4.3847 7.7722 115.6475 60.6791 39.1990 177.6654 53 V 4.0277 7.7681 117.4476 65.9505 31.3080 178.3201 54 E 4.2483 8.2286 116.9327 56.5170 29.2292 178.6376 *56 V 4.5855 7.6387 117.0051 62.7548 33.3925 177.0509 57 E 4.0519 8.4450 117.8463 59.6321 29.2358 178.0876 58 N 4.5433 8.6653 112.8111 52.8769 37.5044 175.9379 59 G 3.9913 7.9936 107.0840 46.3149 0.0000 174.9110 60 T 4.1093 8.2466 118.1335 65.5097 69.9096 174.0266 61 L 5.1855 7.9390 123.4159 53.1812 44.9812 175.1678 62 R 4.6659 8.7232 127.3919 55.0596 32.1457 174.8802 63 V 4.0459 8.1386 125.5291 60.7618 34.1745 173.6002 64 L 4.7782 8.1862 129.5676 53.2589 44.4411 174.4479 65 A 5.1206 8.8861 129.8638 50.9140 20.8622 175.6909 66 I 5.0962 9.3093 123.8687 59.7112 40.9798 174.0539 67 Y 4.7944 9.2568 129.3242 55.3149 39.4258 174.0090 68 P 4.4336 0.0000 0.0000 62.9417 32.7903 175.4931 69 D 4.6871 6.0500 119.8840 53.6161 42.3871 175.3151 70 E 4.6247 8.6516 118.1121 57.5992 30.6167 176.3238 71 N 4.6300 8.3817 118.2740 51.7954 38.3586 174.6717 72 R 3.3029 7.9723 127.4250 59.2086 29.9614 177.5997 73 E 3.9260 8.0663 116.8480 59.5340 29.5337 178.8989 74 E 4.0116 8.2884 117.0203 58.6801 29.6100 178.6231 75 W 4.1627 7.4478 126.9490 59.7435 30.7968 178.2066 76 A 2.8765 7.9140 120.0264 54.9222 17.9020 178.7920 77 T 3.9045 7.4848 105.4036 63.5856 69.7123 175.9274 78 K 4.1754 7.7597 120.7579 58.0162 32.6609 178.5009 79 A 3.8182 6.9732 121.9772 55.0933 18.2381 179.0221 80 V 3.4221 7.2979 113.9528 65.7811 31.7217 176.1525 81 Y 4.4019 6.8979 118.7220 55.7889 36.2684 172.7293 *83 P 3.6989 0.0000 0.0000 61.1166 32.8379 176.1037 84 Q 3.9240 8.3082 121.4407 58.0169 29.0499 177.5907 85 G 4.1012 8.9654 112.3778 45.4186 0.0000 173.3755 86 W 4.4495 7.8202 120.1068 56.4211 29.8901 176.3065 87 I 4.0583 8.6355 125.9823 61.3067 37.8257 174.9710 88 V 4.9187 8.7310 127.1273 61.3408 33.1026 174.7340 89 G 4.7916 9.9548 114.4933 44.3607 0.0000 170.7279 90 W 5.0326 9.0080 129.2008 55.0832 33.6193 174.9855 91 N 4.6731 8.4937 127.7908 51.9923 36.7169 175.0101 92 K 2.4800 6.9703 121.9884 58.1033 32.7443 177.7988 93 A 3.7824 7.4957 120.7619 53.1748 18.5829 178.4259 94 G 3.8264 8.0426 103.2464 46.1935 0.0000 175.1324 95 D 4.7867 7.5637 122.1415 55.4557 39.5332 178.4805 96 I 3.5564 7.4811 121.2649 64.2408 37.1535 178.3136 97 R 3.7573 7.6200 118.5031 59.5359 30.2427 179.1605 98 T 3.9226 7.9417 109.3608 63.8609 68.4979 175.5499 99 R 4.3718 7.7603 117.9841 54.4671 31.4450 175.6422 100 Q 3.3801 7.7538 116.8644 56.8055 26.9232 174.9437 101 L 3.9535 7.7110 117.7342 57.1320 42.2341 177.9779 102 Y 4.3669 7.2488 113.4019 55.8278 41.1673 175.3704 103 D 4.5652 9.1642 123.5523 53.6198 39.7543 175.5430 104 I 4.2199 7.5921 126.0828 59.5826 35.9168 175.8782 105 R 4.0714 8.1698 120.2911 57.6329 30.2556 176.7430 106 A 4.4846 7.3065 118.6595 51.5401 22.4161 174.8612 107 T 4.7029 8.2012 110.1402 59.4118 70.3876 172.9875 108 P 4.6266 0.0000 0.0000 62.7762 32.9505 175.3525 109 T 4.7086 8.6612 117.5894 61.8644 71.7540 173.1136 110 I 5.0608 8.3539 125.7815 59.7003 40.5434 173.9297 111 Y 5.0415 8.8951 123.9611 56.0442 41.1090 174.6523 112 L 4.8944 8.9051 125.7679 53.3754 44.4895 175.0582 113 L 5.4319 9.2132 126.1268 53.1167 45.5436 176.6028 114 D 5.1240 8.7077 121.5500 52.0032 41.6182 177.1400 115 G 3.6309 8.5198 106.9151 48.6266 0.0000 174.4845 116 R 4.4021 8.0740 116.1053 55.0902 30.5241 175.9267 117 K 3.9182 8.0687 116.9315 57.4460 30.3454 175.5158 118 R 4.4692 8.3351 117.2119 55.3850 30.9713 176.4329 119 V 4.0024 8.3370 122.0856 63.7726 31.4689 175.3962 120 I 4.1135 8.9639 129.7259 63.0375 38.1956 176.3223 121 L 4.7675 7.7342 121.6297 52.4713 44.7188 175.6280 122 K 3.9630 8.5557 122.9143 55.9215 34.8109 175.6484 123 D 3.9973 6.7431 121.9332 55.3099 39.3984 171.9151 124 T 4.5637 7.6644 113.5628 61.0359 71.0410 173.6452 125 S 4.8673 7.8744 117.4732 58.6511 62.4273 175.3280 *127 E 4.2912 9.1308 117.7085 56.3433 31.1582 177.3739 128 Q 4.0143 8.0184 119.0839 58.9015 29.0372 177.9219 129 L 4.0577 8.5017 121.8816 58.2541 41.9732 179.0332 130 I 3.9924 7.8835 117.7949 64.6285 37.4351 177.5623 131 D 4.5516 8.3747 119.8132 57.5699 40.4667 178.3866 132 Y 4.0258 8.3990 118.7008 60.8445 39.0236 177.8975 133 L 3.8204 7.7875 117.7088 57.0223 41.6968 177.1418 134 A 4.1373 7.5569 125.6701 52.3073 18.3179 176.9984 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 -2 S 8.33 4.32 0.00 3.77 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 -1 N 8.53 4.52 0.00 2.80 2.76 0.00 0.00 7.06 6.46 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 0 A 8.47 4.16 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 1 G 8.75 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 0.00 0.00 0.00 1 K 8.71 4.04 0.00 1.71 1.93 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.37 7.81 4 A 9.03 4.22 1.42 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 0.00 0.00 5 A 7.95 4.00 1.03 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 6 D 8.68 4.70 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.55 4.85 0.00 3.18 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 8 T 8.81 4.92 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 1.17 0.00 0.00 9 Y 8.73 5.16 0.00 3.26 3.28 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 10 V 8.75 5.08 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 0.74 0.00 0.00 1.17 0.00 0.00 11 T 8.83 5.15 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 1.45 0.00 0.00 12 V 8.35 3.75 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 0.07 0.00 0.00 0.59 0.00 0.00 13 H 8.09 4.56 0.00 3.37 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.31 4.06 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 0.00 0.00 0.00 15 D 7.88 4.78 0.00 2.65 2.61 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 16 N 8.91 5.73 0.00 2.58 2.71 0.00 0.00 6.17 7.64 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 17 S 7.43 4.34 0.00 3.64 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 18 R 8.35 5.12 0.00 1.78 1.62 0.00 3.31 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 *20 S 8.50 4.45 0.00 4.04 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 21 R 7.85 3.97 0.00 1.94 2.03 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 22 L 7.17 4.02 0.00 1.69 1.62 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.22 4.48 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 24 A 8.11 4.42 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 25 Q 9.07 3.82 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 26 Y 8.23 5.11 0.00 2.93 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 0.00 0.00 0.00 0.00 27 T 8.50 5.41 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 1.17 0.00 0.00 *29 L 8.29 4.14 0.00 1.36 0.76 0.72 0.75 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 30 F 8.54 4.88 0.00 2.60 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 31 F 8.71 5.22 0.00 2.87 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 32 Y 8.62 5.12 0.00 3.08 2.52 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 33 D 8.61 5.27 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 34 P 0.00 4.70 0.00 2.27 2.24 0.00 3.64 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 35 D 8.52 4.97 0.00 2.67 2.69 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 36 C 7.88 4.72 0.00 3.06 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 37 S 8.67 4.24 0.00 3.97 3.88 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 0.00 0.00 0.00 38 N 8.23 4.54 0.00 2.86 2.96 0.00 0.00 7.18 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 39 C 8.20 4.46 0.00 3.42 3.46 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 0.00 0.00 0.00 0.00 40 R 8.09 4.12 0.00 2.04 2.03 0.00 3.33 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 41 K 8.18 3.93 0.00 2.00 2.14 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.51 7.81 42 F 8.49 4.09 0.00 3.54 3.60 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 0.00 0.00 0.00 43 E 8.80 3.86 0.00 2.12 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 1.65 2.36 0.00 44 K 8.08 3.91 0.00 1.81 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.45 7.81 45 L 8.10 4.06 0.00 1.72 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.34 3.94 0.00 3.11 3.22 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 47 A 7.92 4.31 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 48 E 7.59 4.65 0.00 2.02 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 2.22 2.46 0.00 49 I 7.23 4.03 1.04 0.00 0.00 0.51 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 0.35 -0.21 0.00 0.00 50 P 0.00 4.19 0.00 2.09 2.07 0.00 3.45 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 2.04 2.10 0.00 51 A 7.72 4.03 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 52 F 7.77 4.38 0.00 2.38 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 0.00 0.00 0.00 0.00 53 V 7.77 4.03 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 1.11 0.00 0.00 1.06 0.00 0.00 54 E 8.23 4.25 0.00 2.16 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 0.00 2.34 2.40 0.00 *56 V 7.64 4.59 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 1.50 0.00 0.00 1.31 0.00 0.00 57 E 8.45 4.05 0.00 2.21 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 2.41 2.34 0.00 58 N 8.67 4.54 0.00 2.79 2.96 0.00 0.00 7.14 6.99 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 59 G 7.99 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 0.00 0.00 0.00 60 T 8.25 4.11 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 1.37 0.00 0.00 61 L 7.94 5.19 0.00 1.77 1.54 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.72 4.67 0.00 2.00 1.75 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 63 V 8.14 4.05 1.09 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 -1.06 0.00 0.00 0.16 0.00 0.00 64 L 8.19 4.78 0.00 1.60 1.32 0.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.89 5.12 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 66 I 9.31 5.10 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.36 0.94 0.00 0.00 67 Y 9.26 4.79 0.00 2.48 2.27 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 68 P 0.00 4.43 0.00 1.94 1.89 0.00 3.55 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 1.72 1.85 0.00 69 D 6.05 4.69 0.00 2.32 2.52 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 70 E 8.65 4.62 0.00 1.99 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 0.00 2.31 2.27 0.00 71 N 8.38 4.63 0.00 2.82 2.76 0.00 0.00 6.64 7.25 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 72 R 7.97 3.30 0.00 1.28 1.77 0.00 3.51 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.22 0.00 73 E 8.07 3.93 0.00 2.03 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 0.00 2.33 2.44 0.00 74 E 8.29 4.01 0.00 1.97 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 2.29 2.34 0.00 75 W 7.45 4.16 0.00 2.38 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 76 A 7.91 2.88 1.11 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 77 T 7.48 3.90 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 1.13 0.00 0.00 78 K 7.76 4.18 0.00 1.79 1.96 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.51 7.81 79 A 6.97 3.82 0.82 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 80 V 7.30 3.42 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 0.53 0.00 0.00 0.67 0.00 0.00 81 Y 6.90 4.40 0.00 3.01 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 *83 P 0.00 3.70 0.00 0.49 1.00 0.00 2.47 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.17 0.00 84 Q 8.31 3.92 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.83 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 85 G 8.97 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.82 4.45 0.00 3.09 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 87 I 8.64 4.06 1.86 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 1.20 0.69 1.04 0.00 0.00 88 V 8.73 4.92 2.22 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 1.14 0.00 0.00 1.04 0.00 0.00 89 G 9.95 4.79 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 0.00 0.00 0.00 90 W 9.01 5.03 0.00 1.78 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 0.00 0.00 0.00 91 N 8.49 4.67 0.00 2.73 2.48 0.00 0.00 6.41 6.37 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 92 K 6.97 2.48 0.00 0.79 1.11 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.41 0.21 7.81 93 A 7.50 3.78 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 94 G 8.04 3.83 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 0.00 0.00 0.00 95 D 7.56 4.79 0.00 2.83 2.88 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 0.00 0.00 0.00 96 I 7.48 3.56 1.54 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.45 0.00 0.00 97 R 7.62 3.76 0.00 1.70 1.86 0.00 3.07 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 98 T 7.94 3.92 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 1.17 0.00 0.00 99 R 7.76 4.37 0.00 1.81 1.92 0.00 3.27 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 100 Q 7.75 3.38 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 101 L 7.71 3.95 0.00 1.61 1.55 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.25 4.37 0.00 2.27 2.32 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 0.00 103 D 9.16 4.57 0.00 2.64 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 0.00 104 I 7.59 4.22 1.69 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.43 0.86 0.00 0.00 105 R 8.17 4.07 0.00 1.92 2.05 0.00 3.08 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 106 A 7.31 4.48 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 0.00 107 T 8.20 4.70 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 1.20 0.00 0.00 108 P 0.00 4.63 0.00 1.61 1.54 0.00 3.76 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 2.00 2.16 0.00 109 T 8.66 4.71 4.42 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 1.58 0.00 0.00 110 I 8.35 5.06 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.94 0.00 0.00 111 Y 8.90 5.04 0.00 2.77 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 0.00 112 L 8.91 4.89 0.00 1.73 1.44 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 L 9.21 5.43 0.00 1.62 1.59 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.71 5.12 0.00 2.79 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 0.00 115 G 8.52 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 0.00 116 R 8.07 4.40 0.00 1.80 1.94 0.00 3.52 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 117 K 8.07 3.92 0.00 1.95 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 118 R 8.34 4.47 0.00 2.19 1.86 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 119 V 8.34 4.00 2.35 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 0.97 0.00 0.00 1.18 0.00 0.00 120 I 8.96 4.11 1.76 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.24 0.00 0.00 121 L 7.73 4.77 0.00 1.46 1.43 0.90 0.75 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 0.00 122 K 8.56 3.96 0.00 1.76 1.72 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.34 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.26 7.81 123 D 6.74 4.00 0.00 2.53 2.54 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 0.00 124 T 7.66 4.56 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 1.27 0.00 0.00 125 S 7.87 4.87 0.00 4.12 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 *127 E 9.13 4.29 0.00 2.14 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 2.32 2.35 0.00 128 Q 8.02 4.01 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 129 L 8.50 4.06 0.00 2.24 1.93 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.88 3.99 2.07 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.86 0.00 0.00 131 D 8.37 4.55 0.00 2.91 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 0.00 132 Y 8.40 4.03 0.00 2.93 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 0.00 133 L 7.79 3.82 0.00 1.77 1.66 0.43 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.56 4.14 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 * Residues marked with a * may have inaccurate shift predictions.