NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5012 8.2893 120.3264 55.5806 33.3884 174.0983 2 R 4.4047 7.9544 115.8012 53.8673 32.3433 172.7021 3 L 4.3129 9.0829 122.3786 54.4104 43.6881 177.4136 4 L 4.4180 8.5998 126.7553 57.3682 42.8253 176.2618 5 H 5.4630 7.3981 109.8212 56.2875 31.3551 172.8013 6 T 4.5883 8.2409 114.6324 61.9166 71.4479 172.7878 7 M 4.8834 8.5832 126.0380 53.8145 34.2780 174.8826 8 L 4.5294 8.4334 124.9138 52.8339 45.8613 175.6425 9 R 4.7168 8.0482 122.3064 55.3700 30.9427 176.3790 10 V 4.7723 8.9131 116.8530 59.6543 34.4014 176.3285 11 G 3.8739 9.8286 110.6245 46.3466 0.0000 173.4413 12 D 4.1366 7.8326 119.2538 51.9778 43.4509 174.7753 13 L 3.9227 7.9160 129.4207 58.4882 42.1579 178.4779 14 Q 3.9871 7.9485 118.7948 59.1402 29.0238 177.8443 15 R 3.8819 8.4677 119.8140 59.7112 29.9812 178.7467 16 S 4.3275 8.1694 114.7920 61.5793 62.8536 176.6428 17 I 3.8123 8.3464 122.9251 64.5955 36.8429 177.8975 18 D 4.4392 8.8209 120.1064 57.5613 40.6823 178.9657 19 F 4.0264 8.2698 120.6291 61.6510 39.4248 176.7392 20 Y 3.9479 8.4696 116.8055 61.0963 37.6805 178.7286 21 T 4.7282 8.0850 111.9888 64.0714 69.1283 177.2644 22 K 3.9195 8.0692 121.5775 58.4258 32.4605 178.8057 23 V 3.6758 7.5138 116.6657 64.9252 31.6780 176.4902 24 L 4.1920 7.4166 116.5434 54.3929 41.8991 177.4978 25 G 3.9424 8.0392 106.8897 46.0214 0.0000 173.5638 26 M 4.2672 7.9970 120.5539 54.2241 34.3208 174.9977 27 K 4.9130 8.7687 118.4578 54.5721 36.0057 175.9372 28 L 4.5261 8.4170 124.9384 54.7956 41.7753 176.2253 29 L 4.4411 8.9401 128.3743 57.2148 42.6248 177.3584 30 R 4.5450 7.7220 112.0202 56.3639 31.9776 173.7005 31 T 5.4100 8.5046 115.3640 62.9319 72.9754 172.9948 32 S 4.7761 9.1145 116.8925 57.7278 66.7860 172.9614 33 E 5.1133 8.7583 119.3057 54.7747 33.1248 175.7150 34 N 4.5533 8.8316 121.5076 50.9269 39.7664 172.9555 35 P 4.1812 0.0000 0.0000 65.0591 32.0791 177.7312 36 E 3.7154 8.1367 117.7673 59.0983 29.3133 176.9904 37 Y 4.4789 7.7360 112.3399 56.7896 39.0118 175.8290 38 K 2.0000 7.0507 119.5863 55.8656 29.7637 173.2554 39 Y 4.8825 5.3700 115.9964 55.9670 42.0122 175.4557 40 S 5.4308 10.0497 116.2510 56.9868 67.4066 173.2171 41 L 5.5219 9.4644 121.5033 53.2214 45.9850 175.5009 42 A 5.1511 8.8232 122.2917 50.6309 23.0822 174.9473 43 F 4.9835 9.6528 121.3057 55.7973 41.4995 175.3713 44 V 4.8657 8.2126 116.6817 59.8018 35.4662 175.0375 45 G 4.1357 8.4110 109.4194 46.7764 0.0000 173.2899 46 Y 4.7100 8.7288 115.9486 58.3023 38.5818 175.4646 47 G 4.2807 7.3338 106.3081 44.6410 0.0000 170.9287 48 P 4.3972 0.0000 0.0000 62.1790 31.7503 177.8373 49 E 4.2359 9.1438 121.5004 58.9431 29.5797 178.8387 50 T 4.0330 7.9160 107.8035 63.7965 69.1206 174.9122 51 E 4.4281 8.2578 120.8178 56.9272 30.4741 175.0745 52 E 4.6494 7.5765 114.6166 54.5114 32.6499 173.5255 53 A 4.6036 8.3354 120.8846 52.3759 19.4714 177.2482 54 V 4.5694 8.5841 113.2886 59.9989 36.7430 173.8404 55 I 4.7455 8.2975 120.9972 59.9188 39.9121 174.6505 56 E 3.9975 8.8342 128.2595 54.3155 31.3100 174.2594 57 L 4.8794 8.6689 127.7197 53.3718 44.1807 175.5468 58 T 5.0090 8.5952 120.3183 61.8089 71.6280 172.4182 59 Y 5.1383 9.5432 127.5944 55.9400 41.7853 173.7946 60 N 4.8462 7.9608 121.8656 51.3371 40.2644 174.9589 61 W 4.4336 8.2055 124.2924 58.8846 29.4740 176.8204 62 G 3.9450 9.2825 111.8565 45.1949 0.0000 172.9096 63 V 4.1227 7.6676 120.2433 61.1708 32.1633 174.8406 64 D 5.0988 8.4110 125.2923 52.3118 40.3722 175.6159 65 K 4.4687 7.1670 119.5441 55.4028 35.1438 173.8007 66 Y 4.6618 8.1421 120.6118 56.3982 42.3514 174.2680 67 E 4.5495 8.5241 119.7056 54.6147 30.3629 177.1675 68 L 3.7022 8.5772 127.0716 56.0328 42.4541 177.9268 69 G 3.9481 7.4288 104.6628 44.9480 0.0000 172.6980 70 T 4.5165 8.2693 105.5942 61.1468 69.8860 174.8972 71 A 4.1495 8.1151 125.2162 55.2282 19.0618 177.4988 72 Y 4.2078 8.0579 115.8090 57.8880 38.7312 174.8934 73 G 3.4557 6.9999 116.2629 45.1610 0.0000 174.6585 74 H 4.4332 6.2598 115.5941 54.5930 31.7577 172.8542 75 I 4.7449 8.0427 117.4997 59.5359 40.0148 174.8729 76 A 5.1810 8.7356 127.4949 50.1996 21.1585 175.7169 77 L 5.0351 8.8592 121.7247 52.5642 45.7583 176.3066 78 S 4.8493 8.6622 116.9460 58.2597 63.7021 173.6843 79 V 4.3802 8.3755 121.7704 60.0337 33.8189 176.5393 80 D 4.2197 8.8200 123.3530 57.0307 41.1280 176.7579 81 N 4.8344 7.7504 118.1572 50.6648 40.6599 174.0447 82 A 3.9483 9.0514 130.2061 55.0697 18.5572 178.7732 83 A 3.9126 8.0179 118.4696 55.4609 18.4260 179.2482 84 E 3.8326 8.4568 117.4725 59.3172 29.5817 178.7986 85 A 3.9212 8.1124 120.7574 55.4298 18.4069 179.2356 86 C 3.9808 8.2562 115.2594 63.0572 28.1663 176.3746 87 E 3.9311 8.2847 120.0219 59.2538 29.1271 179.1409 88 K 3.8600 8.6935 120.4688 59.6742 32.3453 178.6324 89 I 3.7401 8.5403 121.0527 64.4024 37.0529 178.3356 90 R 3.9056 8.4033 119.9536 59.5843 29.8406 178.6507 91 Q 4.1799 8.0920 115.6649 58.5741 28.5228 176.6510 92 N 4.8441 7.8840 117.9348 53.3806 39.3548 176.2352 93 G 4.0316 8.2244 111.8737 45.6057 0.0000 174.6594 94 G 4.0299 7.5551 105.7576 46.6789 0.0000 172.2173 95 N 5.1930 8.3313 116.5653 51.2777 41.7955 174.2494 96 V 4.6687 8.5059 123.5308 61.7485 32.3437 175.2448 97 T 4.3800 8.9115 118.7298 62.7000 70.3683 175.0279 98 R 4.4975 7.8778 122.6101 54.6358 32.7209 174.0298 99 E 4.5362 8.9957 125.9970 56.1455 30.3966 177.0958 100 A 4.2915 8.8061 124.2225 51.9818 19.1166 177.3350 101 G 4.2395 8.5814 110.7999 44.9618 0.0000 170.4060 102 P 5.0051 0.0000 0.0000 63.1426 31.6624 176.5427 103 V 3.9330 8.7693 122.5208 60.8261 33.1698 175.3016 104 K 3.8403 8.6714 123.3020 58.6843 31.9429 176.9323 105 G 4.0214 9.1894 115.1977 45.1942 0.0000 172.4101 106 G 4.4719 7.8837 109.1878 44.1444 0.0000 172.2109 107 T 4.5889 8.2682 106.2757 62.0582 71.2467 175.0983 108 T 3.9782 7.9149 119.5912 63.6239 69.7656 173.5785 109 V 4.4123 8.4213 126.6296 62.5850 32.9707 174.7502 110 I 5.2827 8.8151 120.1575 59.6665 41.7522 173.5705 111 A 5.1039 8.6156 122.8550 51.0142 23.2912 175.0975 112 F 5.1553 9.1828 117.0697 56.0352 43.1316 175.0401 113 V 5.1733 9.0060 114.8770 60.2182 36.4788 173.5154 114 E 5.3674 9.0451 120.2944 54.8000 32.9635 176.8272 115 D 3.8830 8.7281 123.3918 51.2674 41.0354 175.3830 116 P 4.0356 0.0000 0.0000 65.3673 31.1620 177.2567 117 D 4.5244 8.3737 115.7177 54.1530 41.0022 177.2887 118 G 3.9167 8.1814 108.2350 45.0157 0.0000 173.5634 119 Y 4.5327 7.8478 117.5403 57.9204 38.8820 175.0995 120 K 5.0652 8.9917 122.0878 55.9656 34.3602 175.7475 121 I 5.0775 9.0390 124.3976 59.5893 41.0580 173.8374 122 E 3.8048 8.9711 128.3692 54.4329 31.3989 174.3636 123 L 5.0831 8.7646 127.1607 52.9768 44.5578 175.3600 124 I 4.7607 8.7000 124.8441 59.4367 40.2638 174.4422 125 E 4.6576 8.9591 129.7417 54.4318 29.1277 175.4743 126 E 4.4772 8.4221 133.9123 55.7851 29.9419 177.3966 *134 G 4.0314 8.6066 109.6047 46.2335 0.0000 172.1162 135 N 4.5122 7.8634 120.7052 53.0692 37.2878 174.0316 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 M 8.29 4.50 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.95 4.40 0.00 1.94 1.85 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 3 L 9.08 4.31 0.00 1.63 1.63 0.93 0.98 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 4 L 8.60 4.42 0.00 1.59 1.74 0.92 0.99 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 5 H 7.40 5.46 0.00 3.23 3.33 0.00 5.08 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.24 4.59 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 1.15 0.00 0.00 7 M 8.58 4.88 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 8 L 8.43 4.53 0.00 1.17 0.76 0.20 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.05 4.72 0.00 0.79 0.86 0.00 2.50 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.00 10 V 8.91 4.77 2.39 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 0.83 0.00 0.00 1.10 0.00 0.00 11 G 9.83 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 12 D 7.83 4.14 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.92 3.92 0.00 1.78 1.56 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.95 3.99 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 15 R 8.47 3.88 0.00 1.98 2.10 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 16 S 8.17 4.33 0.00 4.18 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 0.00 17 I 8.35 3.81 2.05 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 1.57 0.87 0.96 0.00 0.00 18 D 8.82 4.44 0.00 2.91 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 19 F 8.27 4.03 0.00 3.08 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 20 Y 8.47 3.95 0.00 3.11 2.99 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 21 T 8.09 4.73 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 1.27 0.00 0.00 22 K 8.07 3.92 0.00 1.80 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.59 7.81 23 V 7.51 3.68 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 0.50 0.00 0.00 0.81 0.00 0.00 24 L 7.42 4.19 0.00 1.75 1.74 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.04 3.94 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 0.00 0.00 0.00 26 M 8.00 4.27 0.00 1.79 1.94 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.95 0.00 27 K 8.77 4.91 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.54 7.81 28 L 8.42 4.53 0.00 1.67 1.62 1.06 1.01 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 29 L 8.94 4.44 0.00 1.59 1.70 1.00 0.98 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 30 R 7.72 4.55 0.00 1.81 1.93 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 31 T 8.50 5.41 4.31 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 1.40 0.00 0.00 32 S 9.11 4.78 0.00 3.91 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 33 E 8.76 5.11 0.00 1.91 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 2.47 2.74 0.00 34 N 8.83 4.55 0.00 1.94 1.42 0.00 0.00 7.26 7.54 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 35 P 0.00 4.18 0.00 2.08 2.28 0.00 3.68 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 2.06 2.22 0.00 36 E 8.14 3.72 0.00 1.62 1.65 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 0.00 1.47 1.90 0.00 37 Y 7.74 4.48 0.00 3.20 3.05 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 38 K 7.05 2.00 0.00 1.69 1.39 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.12 7.81 39 Y 5.37 4.88 0.00 3.09 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 40 S 10.05 5.43 0.00 4.18 4.07 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 41 L 9.46 5.52 0.00 1.69 1.56 1.23 0.83 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 42 A 8.82 5.15 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 43 F 9.65 4.98 0.00 2.92 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 44 V 8.21 4.87 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 0.74 0.00 0.00 0.69 0.00 0.00 45 G 8.41 4.14 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 0.00 0.00 0.00 46 Y 8.73 4.71 0.00 3.19 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 47 G 7.33 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 48 P 0.00 4.40 0.00 2.19 1.98 0.00 3.76 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 2.43 2.11 0.00 49 E 9.14 4.24 0.00 1.89 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 2.24 0.00 50 T 7.92 4.03 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 1.19 0.00 0.00 51 E 8.26 4.43 0.00 1.97 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 2.27 2.23 0.00 52 E 7.58 4.65 0.00 2.13 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 0.00 2.49 2.36 0.00 53 A 8.34 4.60 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 54 V 8.58 4.57 2.34 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 0.92 0.00 0.00 1.12 0.00 0.00 55 I 8.30 4.75 1.52 0.00 0.00 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 0.97 0.58 0.53 0.00 0.00 56 E 8.83 4.00 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 57 L 8.67 4.88 0.00 1.50 1.51 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.60 5.01 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 1.03 0.00 0.00 59 Y 9.54 5.14 0.00 3.12 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 60 N 7.96 4.85 0.00 2.69 2.66 0.00 0.00 6.54 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 61 W 8.21 4.43 0.00 3.35 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 62 G 9.28 3.94 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 0.00 0.00 0.00 63 V 7.67 4.12 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 0.27 0.00 0.00 0.85 0.00 0.00 64 D 8.41 5.10 0.00 2.90 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 65 K 7.17 4.47 0.00 1.59 1.52 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.45 7.81 66 Y 8.14 4.66 0.00 2.92 2.83 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 67 E 8.52 4.55 0.00 2.05 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 2.32 2.29 0.00 68 L 8.58 3.70 0.00 1.52 1.70 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.43 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 70 T 8.27 4.52 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 1.22 0.00 0.00 71 A 8.12 4.15 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 72 Y 8.06 4.21 0.00 2.94 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 73 G 7.00 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 0.00 0.00 0.00 74 H 6.26 4.43 0.00 3.30 3.31 0.00 5.47 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.04 4.74 2.02 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 1.25 0.99 1.00 0.00 0.00 76 A 8.74 5.18 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 77 L 8.86 5.04 0.00 1.61 1.67 1.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.66 4.85 0.00 3.80 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 79 V 8.38 4.38 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 0.80 0.00 0.00 0.89 0.00 0.00 80 D 8.82 4.22 0.00 2.64 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 81 N 7.75 4.83 0.00 2.67 2.62 0.00 0.00 7.05 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 82 A 9.05 3.95 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 83 A 8.02 3.91 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 84 E 8.46 3.83 0.00 2.14 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 0.00 2.30 2.47 0.00 85 A 8.11 3.92 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 86 C 8.26 3.98 0.00 3.15 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 87 E 8.28 3.93 0.00 2.10 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 2.48 2.46 0.00 88 K 8.69 3.86 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.46 7.81 89 I 8.54 3.74 2.12 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 1.42 0.89 1.10 0.00 0.00 90 R 8.40 3.91 0.00 1.89 2.19 0.00 3.11 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 91 Q 8.09 4.18 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.29 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 92 N 7.88 4.84 0.00 2.94 2.93 0.00 0.00 7.06 7.36 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 93 G 8.22 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 94 G 7.56 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 95 N 8.33 5.19 0.00 2.81 2.71 0.00 0.00 6.96 7.56 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 96 V 8.51 4.67 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 0.92 0.00 0.00 0.98 0.00 0.00 97 T 8.91 4.38 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 98 R 7.88 4.50 0.00 1.93 2.14 0.00 3.39 0.00 0.00 3.56 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 99 E 9.00 4.54 0.00 1.92 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 2.34 2.29 0.00 100 A 8.81 4.29 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 0.00 101 G 8.58 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 0.00 102 P 0.00 5.01 0.00 2.09 2.09 0.00 3.78 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 2.00 1.99 0.00 103 V 8.77 3.93 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 0.83 0.00 0.00 0.98 0.00 0.00 104 K 8.67 3.84 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 G 9.19 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 0.00 106 G 7.88 4.47 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 0.00 107 T 8.27 4.59 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 0.00 108 T 7.91 3.98 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 1.25 0.00 0.00 109 V 8.42 4.41 2.18 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 1.11 0.00 0.00 0.93 0.00 0.00 110 I 8.82 5.28 1.86 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.89 0.00 0.00 111 A 8.62 5.10 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 0.00 112 F 9.18 5.16 0.00 2.99 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 0.00 113 V 9.01 5.17 2.30 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 0.81 0.00 0.00 1.12 0.00 0.00 114 E 9.05 5.37 0.00 1.90 1.79 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 2.39 2.28 0.00 115 D 8.73 3.88 0.00 1.94 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 0.00 116 P 0.00 4.04 0.00 1.98 2.06 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 117 D 8.37 4.52 0.00 2.85 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 0.00 118 G 8.18 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 0.00 119 Y 7.85 4.53 0.00 3.35 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 0.00 120 K 8.99 5.07 0.00 1.98 1.96 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.49 7.81 121 I 9.04 5.08 2.00 0.00 0.00 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 1.35 0.94 1.05 0.00 0.00 122 E 8.97 3.80 0.00 1.20 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 1.85 1.47 0.00 123 L 8.76 5.08 0.00 1.49 1.48 0.91 0.80 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 0.00 124 I 8.70 4.76 1.83 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 1.02 0.64 0.88 0.00 0.00 125 E 8.96 4.66 0.00 1.93 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 2.25 2.24 0.00 126 E 8.42 4.48 0.00 1.96 1.75 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 2.22 2.25 0.00 *134 G 8.61 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 0.00 135 N 7.86 4.51 0.00 2.78 2.72 0.00 0.00 5.87 7.56 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 * Residues marked with a * may have inaccurate shift predictions.