NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 5.0802 7.9332 117.1412 63.6464 70.4144 172.7297 2 L 4.5144 8.3853 124.5055 53.5312 43.4738 175.4888 3 G 4.0168 8.5268 109.3054 44.9125 0.0000 172.0659 4 D 4.3442 8.7055 118.8483 55.2053 41.2704 176.9612 5 Q 4.4404 8.3041 124.5924 53.3283 31.4368 172.8356 *12 P 4.1647 0.0000 0.0000 61.8372 32.2300 174.9035 13 P 3.3290 0.0000 0.0000 61.4429 31.8931 174.1681 14 P 4.5216 0.0000 0.0000 61.6568 32.5365 175.6455 15 E 4.2051 8.3082 118.1043 55.3897 30.0380 175.1767 16 P 4.4084 0.0000 0.0000 63.0399 32.3182 175.3714 17 R 5.1801 8.8490 123.1370 54.5080 33.1726 175.2722 18 I 4.7806 8.6550 120.7259 60.0386 42.0490 173.5488 19 T 5.1672 9.1810 126.1350 62.0054 70.0066 173.9079 20 L 4.9854 9.0223 126.3237 52.5413 46.0939 176.0748 21 K 4.5856 8.6253 121.7058 56.3958 33.5665 176.0996 22 V 4.6346 8.8085 125.3913 61.2728 34.8301 175.6416 23 G 3.9544 10.1313 117.7833 46.6576 0.0000 174.9366 24 G 4.0235 8.7949 107.3877 44.7184 0.0000 174.0180 25 Q 4.8102 7.7706 118.4778 52.9885 32.8203 173.0387 26 P 4.8627 0.0000 0.0000 62.8109 32.4844 175.6819 27 V 4.1837 9.1980 123.3668 61.2638 34.5998 174.0774 28 T 4.7738 8.3705 124.7295 62.7276 69.4339 174.0938 29 F 5.0826 9.2293 125.9342 55.3463 42.2247 175.0247 30 L 4.4601 8.7458 124.9040 55.1189 43.2555 175.9334 31 V 4.4217 8.6669 127.3856 62.1554 32.2632 175.0222 32 D 4.9687 9.1397 129.5207 52.5290 42.5826 176.3439 33 T 4.1034 8.7894 116.4176 63.4794 69.2323 175.8258 34 G 3.7458 8.2552 110.0265 46.2555 0.0000 172.9929 35 A 4.6610 7.7416 123.3048 50.1560 21.0072 177.6830 36 Q 3.9346 8.9316 124.2801 58.8181 30.2623 175.4405 37 H 5.6910 7.8481 113.5759 53.0805 31.6597 174.6156 38 S 4.7512 8.9943 118.0100 58.6598 64.3984 173.4420 39 V 5.1080 9.3188 122.2130 61.2987 35.0215 174.1214 40 L 5.1180 9.0208 126.9864 53.3730 43.9874 177.2936 41 T 4.5455 8.4024 110.5266 61.0924 70.5690 174.3365 42 Q 4.4477 7.6454 119.3649 55.6570 32.6277 175.5534 43 N 3.9533 8.3222 114.8654 54.3287 35.3025 172.7478 44 P 4.4486 0.0000 0.0000 62.0360 32.6970 178.6376 45 G 4.2772 7.6668 107.2294 44.9683 0.0000 171.1643 46 P 4.3075 0.0000 0.0000 62.9485 31.8552 175.3912 47 L 4.8065 8.1755 122.0548 52.9963 43.4953 176.5423 48 S 4.4953 8.9759 117.6206 58.1140 63.2949 173.4281 49 D 4.7785 8.5066 119.1227 53.2303 39.9018 176.3402 50 K 4.7836 8.0164 120.7017 56.1905 34.0792 175.6685 51 S 5.1240 8.5957 115.5646 57.4867 66.3360 172.8180 52 A 4.9448 8.9276 121.3907 49.8337 22.5077 175.1907 53 W 4.6364 8.9871 130.8620 57.2970 31.4048 176.0082 54 V 3.9465 8.7479 125.3370 64.0603 33.2193 176.9332 *60 G 3.8150 7.9058 104.2883 45.2088 0.0000 172.6435 61 K 4.5222 7.6690 118.1640 54.5341 37.3099 174.9264 62 R 5.0943 7.9788 122.1565 55.1983 31.3490 174.9474 63 Y 4.8636 8.7187 123.0507 56.1743 42.5910 174.8660 64 R 4.8136 8.4825 120.0840 55.4301 32.2464 176.0817 65 W 4.9221 8.9024 122.6225 56.6518 30.4301 176.3589 66 T 4.6671 9.3441 114.5012 61.5101 69.4332 174.0115 67 T 4.3112 8.1567 112.9917 61.2331 69.8611 173.8120 68 D 4.7873 8.6680 121.5018 54.9977 41.7093 176.5257 69 R 4.8038 9.0042 120.0506 54.0719 34.4453 174.9798 70 K 4.5058 8.8863 123.1531 56.6590 33.4575 175.7894 71 V 4.8118 9.4321 126.3348 61.5240 33.8275 173.9084 72 H 4.9713 9.2457 126.4777 54.8382 29.6859 174.7667 73 L 4.9814 8.7621 122.6565 52.4072 45.3130 177.8847 74 A 4.0239 9.1077 123.6651 55.1481 18.3538 178.6841 75 T 4.1131 7.8397 108.2475 61.7569 67.9014 172.7118 76 G 3.7285 6.9420 105.7947 44.5465 0.0000 172.3743 77 K 4.9908 8.2789 119.7788 54.8357 34.4495 176.2133 78 V 4.6353 8.6928 117.5261 59.9821 36.4040 174.3500 79 T 5.0530 8.3681 118.8196 62.6781 69.9994 173.9197 80 H 4.8507 9.2801 125.2269 54.8877 33.7777 172.1488 81 S 5.1977 8.1794 119.4198 57.0538 65.0987 173.1489 82 F 5.1882 9.4309 120.2943 55.6534 42.7377 174.1345 83 L 4.2356 8.8634 123.6597 54.7280 43.3547 175.2655 84 H 5.0060 9.0045 127.3699 55.5372 30.2704 174.7901 85 V 3.5386 8.2297 127.6194 59.5781 31.7200 174.0379 86 P 4.6771 0.0000 0.0000 64.7090 31.5811 177.4908 87 D 4.5187 7.7058 117.5216 54.7625 41.0677 175.2840 88 C 4.7116 7.4606 118.7400 56.6470 33.9057 172.2068 89 P 4.2328 0.0000 0.0000 65.1933 31.3417 175.3365 90 Y 4.8832 6.5120 114.6526 54.8118 40.9701 172.8889 91 P 4.6585 0.0000 0.0000 62.9771 32.8415 175.3420 92 L 5.4003 9.1342 122.2456 53.0211 45.5007 175.3140 93 L 4.5080 9.5406 126.4742 53.8485 43.6173 175.6306 94 G 4.4087 8.6214 115.9461 44.7490 0.0000 173.3544 95 R 4.1134 9.0741 118.4750 58.8669 29.5201 178.9655 96 D 4.3206 7.9156 118.8685 56.6620 39.2410 178.6606 97 L 3.7669 7.6805 121.9242 57.2596 42.1361 178.5309 98 L 3.9216 7.8149 118.9352 57.9653 41.5533 179.7724 99 T 3.8901 7.9280 115.6842 66.5015 68.3052 176.8235 100 K 3.8121 7.5999 119.0446 59.6739 32.2286 178.5695 101 L 4.1937 8.0673 116.5874 54.1471 42.3185 176.6995 102 K 3.7477 7.7545 116.9813 57.2163 30.0844 175.2472 103 A 4.4925 7.9321 118.7761 52.1120 19.6324 178.1989 104 Q 4.6530 9.0980 117.5674 54.1520 33.1992 174.6662 105 I 4.7797 8.5190 122.9987 59.9212 39.7496 174.4466 106 H 4.9491 9.0541 125.0369 53.9876 31.1724 173.4442 107 F 4.6618 8.9226 122.2918 56.5189 38.8196 175.4001 108 E 4.6773 8.5674 125.1843 54.4053 31.8917 176.0399 109 G 4.0016 8.8095 106.7379 48.2311 0.0000 174.4563 110 S 4.7636 8.1794 110.5813 56.2787 64.1451 174.8682 111 G 3.9180 7.5113 107.2437 47.6544 0.0000 171.3695 112 A 4.6806 7.7834 119.9618 51.2599 22.1817 176.3504 113 Q 4.4770 8.8333 117.9558 54.0363 33.3633 174.6752 114 V 4.6360 8.2171 122.5137 61.3128 33.7216 174.5825 115 V 4.8078 8.8026 126.9483 61.2396 35.9167 174.6353 116 G 4.4076 9.2043 113.0227 44.0227 0.0000 172.8710 117 P 4.5290 0.0000 0.0000 65.0555 31.0591 176.7103 118 M 4.6911 7.9319 117.2838 55.0085 33.1956 176.3419 119 G 3.9757 8.5911 109.4197 45.0502 0.0000 174.6976 120 Q 4.1520 7.6837 118.3663 54.8220 29.5343 173.8843 121 P 4.6549 0.0000 0.0000 63.1062 32.1528 176.5843 122 L 4.1839 8.3805 121.5658 56.9825 42.1317 177.4642 123 Q 4.3190 7.9058 118.9988 56.0380 29.6707 175.3885 124 V 4.0867 8.2287 123.3943 64.3205 32.9092 175.5511 125 L 4.1777 7.8514 122.7975 55.0313 41.4126 176.6704 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 7.93 5.08 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 1.25 0.00 0.00 2 L 8.39 4.51 0.00 1.56 1.64 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.53 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 4 D 8.71 4.34 0.00 2.62 2.60 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 5 Q 8.30 4.44 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.28 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 *12 P 0.00 4.16 0.00 2.16 2.08 0.00 3.81 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 1.89 1.96 0.00 13 P 0.00 3.33 0.00 1.83 1.22 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 14 P 0.00 4.52 0.00 2.19 2.09 0.00 3.07 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 15 E 8.31 4.21 0.00 2.00 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 0.00 2.30 2.23 0.00 16 P 0.00 4.41 0.00 2.06 2.02 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 17 R 8.85 5.18 0.00 1.76 1.84 0.00 3.14 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 18 I 8.66 4.78 1.89 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 1.29 1.58 1.00 0.00 0.00 19 T 9.18 5.17 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 1.21 0.00 0.00 20 L 9.02 4.99 0.00 1.82 1.65 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.63 4.59 0.00 1.71 1.68 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.45 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.49 1.40 7.81 22 V 8.81 4.63 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 0.79 0.00 0.00 1.19 0.00 0.00 23 G 10.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.79 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 25 Q 7.77 4.81 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 26 P 0.00 4.86 0.00 2.04 2.03 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 27 V 9.20 4.18 1.70 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 0.08 0.00 0.00 0.72 0.00 0.00 28 T 8.37 4.77 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 29 F 9.23 5.08 0.00 2.92 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 30 L 8.75 4.46 0.00 1.51 1.67 1.01 0.91 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 31 V 8.67 4.42 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 0.77 0.00 0.00 0.93 0.00 0.00 32 D 9.14 4.97 0.00 2.81 2.58 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 33 T 8.79 4.10 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 1.27 0.00 0.00 34 G 8.26 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 35 A 7.74 4.66 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 36 Q 8.93 3.93 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 37 H 7.85 5.69 0.00 3.07 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.99 4.75 0.00 3.60 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 39 V 9.32 5.11 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 0.92 0.00 0.00 0.89 0.00 0.00 40 L 9.02 5.12 0.00 1.62 1.43 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.40 4.55 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 42 Q 7.65 4.45 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 43 N 8.32 3.95 0.00 2.88 2.99 0.00 0.00 6.83 8.03 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 44 P 0.00 4.45 0.00 2.13 2.02 0.00 3.68 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.37 0.00 45 G 7.67 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 0.00 0.00 0.00 0.00 46 P 0.00 4.31 0.00 2.22 2.02 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 47 L 8.18 4.81 0.00 1.68 1.66 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.98 4.50 0.00 3.87 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 0.00 49 D 8.51 4.78 0.00 2.84 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 50 K 8.02 4.78 0.00 1.92 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 51 S 8.60 5.12 0.00 4.00 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 52 A 8.93 4.94 1.17 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 0.00 0.00 53 W 8.99 4.64 0.00 3.33 3.23 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 54 V 8.75 3.95 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 0.82 0.00 0.00 0.94 0.00 0.00 *60 G 7.91 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 61 K 7.67 4.52 0.00 1.35 0.82 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.46 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 1.24 7.81 62 R 7.98 5.09 0.00 1.87 1.71 0.00 3.20 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 63 Y 8.72 4.86 0.00 2.68 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 64 R 8.48 4.81 0.00 1.84 1.93 0.00 3.16 0.00 0.00 3.59 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 65 W 8.90 4.92 0.00 3.38 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 66 T 9.34 4.67 4.39 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 1.42 0.00 0.00 67 T 8.16 4.31 4.29 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 1.26 0.00 0.00 68 D 8.67 4.79 0.00 2.61 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 69 R 9.00 4.80 0.00 2.19 1.95 0.00 3.34 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 70 K 8.89 4.51 0.00 1.80 1.78 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.48 7.81 71 V 9.43 4.81 2.25 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 1.17 0.00 0.00 1.32 0.00 0.00 72 H 9.25 4.97 0.00 3.16 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.76 4.98 0.00 1.73 1.52 1.01 0.86 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 74 A 9.11 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.84 4.11 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 1.20 0.00 0.00 76 G 6.94 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 0.00 0.00 0.00 77 K 8.28 4.99 0.00 1.60 1.62 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 78 V 8.69 4.64 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 0.76 0.00 0.00 0.92 0.00 0.00 79 T 8.37 5.05 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 1.27 0.00 0.00 80 H 9.28 4.85 0.00 3.12 2.95 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.18 5.20 0.00 4.25 3.79 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 82 F 9.43 5.19 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.86 4.24 0.00 1.38 1.26 -0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 84 H 9.00 5.01 0.00 3.19 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.23 3.54 1.70 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 0.11 0.00 0.00 0.29 0.00 0.00 86 P 0.00 4.68 0.00 2.22 2.26 0.00 3.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 87 D 7.71 4.52 0.00 2.70 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 88 C 7.46 4.71 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.23 0.00 1.67 1.90 0.00 3.44 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.54 0.00 90 Y 6.51 4.88 0.00 2.91 2.96 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 91 P 0.00 4.66 0.00 1.56 1.72 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 92 L 9.13 5.40 0.00 1.73 1.66 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93 L 9.54 4.51 0.00 1.32 1.44 0.59 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.62 4.41 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 0.00 95 R 9.07 4.11 0.00 1.81 2.00 0.00 3.15 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 96 D 7.92 4.32 0.00 2.95 3.01 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 97 L 7.68 3.77 0.00 1.50 1.51 0.75 0.42 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 98 L 7.81 3.92 0.00 1.88 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.93 3.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 100 K 7.60 3.81 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 L 8.07 4.19 0.00 1.56 1.68 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.75 3.75 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 103 A 7.93 4.49 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 0.00 104 Q 9.10 4.65 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 105 I 8.52 4.78 1.93 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 1.31 0.61 0.61 0.00 0.00 106 H 9.05 4.95 0.00 2.94 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.92 4.66 0.00 3.01 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 0.00 108 E 8.57 4.68 0.00 2.07 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 2.24 2.30 0.00 109 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 0.00 110 S 8.18 4.76 0.00 3.95 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 0.00 111 G 7.51 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.78 4.68 0.47 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 0.00 113 Q 8.83 4.48 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 114 V 8.22 4.64 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 0.92 0.00 0.00 0.85 0.00 0.00 115 V 8.80 4.81 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 0.87 0.00 0.00 0.88 0.00 0.00 116 G 9.20 4.41 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 0.00 117 P 0.00 4.53 0.00 2.18 2.20 0.00 3.70 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 1.98 1.99 0.00 118 M 7.93 4.69 0.00 1.96 2.03 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 2.48 2.49 0.00 119 G 8.59 3.98 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 0.00 0.00 0.00 120 Q 7.68 4.15 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 121 P 0.00 4.65 0.00 2.04 2.00 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 122 L 8.38 4.18 0.00 1.72 1.69 0.92 0.60 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 0.00 123 Q 7.91 4.32 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 124 V 8.23 4.09 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 0.97 0.00 0.00 125 L 7.85 4.18 0.00 1.68 1.57 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.