NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.3613 8.3044 120.3480 55.3052 33.4215 174.1303 17 E 4.3043 8.5838 125.6870 54.0632 30.9933 173.5514 18 L 4.6514 9.1291 126.8617 53.0061 44.6325 176.1370 19 R 4.2995 8.4641 122.4929 55.5427 31.2911 176.9512 20 A 4.4972 8.1889 123.5215 50.7031 17.7305 176.8515 21 A 4.8180 7.7915 126.3442 51.1372 20.1830 177.2314 22 T 4.6914 7.4650 113.5987 64.1042 72.5614 173.7080 23 K 4.5964 8.3623 122.7937 54.6455 35.9990 175.6875 24 L 4.9500 8.4474 122.7257 53.1772 43.9064 176.6300 25 T 4.3125 8.7145 117.6485 61.8618 71.1632 174.4605 *26 E 4.8369 8.4499 119.3116 54.1510 31.3785 172.8589 27 E 4.1250 9.0388 124.5810 55.5323 30.0473 175.6845 28 K 4.3424 8.7203 125.9273 57.3104 33.0603 174.9546 29 Y 4.7307 9.5664 129.0725 55.8874 41.2673 173.5227 30 E 5.1804 8.4264 127.5193 54.6246 32.1415 174.5769 31 L 4.6016 8.6399 124.5410 53.8017 47.3481 174.5213 32 K 4.9921 8.2229 118.6308 54.3075 34.9963 175.8660 33 E 4.1577 8.7470 124.0378 58.5877 29.1284 176.0061 34 G 4.4078 9.2859 113.7878 45.5177 0.0000 173.6534 35 Q 4.1727 7.8834 119.8165 56.2698 30.8624 174.9643 36 T 5.0655 8.2833 118.8946 61.6390 71.5861 173.2816 37 L 4.7609 9.0023 128.6774 54.5488 43.6142 174.8344 38 D 5.0682 8.6582 125.1760 52.5186 43.6887 174.7161 39 V 4.2993 8.4641 126.0094 60.8180 34.9158 174.1750 40 K 4.7904 8.6243 126.3495 55.1656 34.1625 176.9812 41 C 4.5355 9.4397 125.3822 55.0630 40.3234 171.3546 42 D 4.9592 8.7192 121.5725 54.5034 40.1254 174.8939 43 Y 4.5025 8.7969 122.9243 56.7432 38.9267 179.2887 44 T 2.9054 7.9948 111.2007 64.0990 69.2322 171.7264 45 L 3.9993 9.1238 126.1029 54.9469 41.8112 178.2138 46 E 4.2469 8.8668 122.7169 58.4946 29.5947 178.8489 47 K 4.0624 7.9096 116.2609 57.3408 31.6551 177.0861 48 F 5.0455 8.5921 115.9142 55.3864 41.2806 176.5812 49 A 4.2898 8.6121 123.7511 54.7336 18.1878 179.0588 50 S 4.4134 8.0079 108.3494 60.1121 64.3716 174.1868 51 S 4.6075 8.3350 118.8068 58.4423 64.0226 173.3900 52 Q 4.1097 8.6469 125.0359 56.0805 30.1084 174.8585 53 K 5.4487 8.7306 124.4487 55.0528 36.6854 174.6283 54 A 5.1065 9.0784 122.4552 51.0044 23.6326 174.7614 55 W 5.4404 9.6328 129.6379 55.7810 33.2720 174.4869 56 Q 4.8736 8.4820 124.1708 54.3796 32.3439 173.5191 57 I 4.0640 8.1114 120.6401 59.3545 40.0453 174.3451 58 I 4.3518 8.5663 131.8927 60.5495 37.9606 176.0426 59 R 4.3993 8.6659 126.9977 54.3026 32.4284 175.6955 60 D 4.4002 8.4159 120.0733 56.2106 41.5417 176.3474 61 G 3.8152 8.6218 113.1439 45.3685 0.0000 172.7941 62 E 3.5939 7.9319 115.5550 57.6350 26.7430 174.8732 63 M 4.5527 7.6762 119.7225 53.0970 33.2892 174.1056 64 P 4.8981 0.0000 0.0000 61.9351 33.3656 175.4101 65 K 4.5127 8.7933 123.4971 54.7307 34.5378 175.2150 66 T 4.3321 8.6272 124.9002 64.0021 68.3305 174.1841 67 L 4.5968 8.8819 126.6577 56.4460 43.5355 177.2336 68 A 4.7230 7.6658 117.5117 51.1012 22.3486 175.2329 69 C 5.3455 8.6515 116.1204 56.6120 33.4588 173.5202 70 T 4.3607 8.6669 111.2309 60.5164 70.3942 173.8139 71 E 4.1382 8.3852 121.6190 55.9624 30.4030 176.3810 72 R 4.4729 7.9831 119.2088 54.0678 32.1385 172.8644 73 P 4.6247 0.0000 0.0000 62.8216 32.8983 175.3846 74 S 4.7075 8.3775 115.3579 56.5813 62.9706 173.2616 75 K 4.5478 8.4322 127.0483 54.8087 34.0286 176.0093 76 N 4.2007 9.2178 120.7282 53.7903 39.7648 173.8654 77 S 3.7061 8.7176 115.6871 59.8982 62.6559 173.7145 78 H 4.7711 7.3856 114.0446 53.4758 29.6098 171.8434 79 P 4.4056 0.0000 0.0000 63.1474 32.7659 176.6902 80 V 4.3408 9.2458 123.5868 61.2579 33.9685 174.0462 81 Q 5.1021 8.7094 126.8097 54.1613 30.9505 175.5793 82 V 4.2012 8.5012 123.3563 61.6274 34.3664 175.1878 83 G 4.0811 8.3265 119.2957 47.4184 0.0000 173.3077 84 R 4.3409 8.5764 123.8149 56.1563 30.2226 174.9314 85 I 4.8708 8.0001 120.6807 59.8344 39.6994 174.8622 86 I 4.8855 8.7874 126.6647 59.5134 40.5714 173.9778 87 L 5.0368 8.9959 129.8303 53.1749 44.9717 174.8495 88 E 4.5964 8.8865 126.1093 54.9052 33.1530 173.2763 89 D 4.9464 8.5766 127.0801 53.1771 42.3233 174.4504 90 Y 4.5985 8.5250 124.9166 57.1767 37.7515 176.3705 91 H 4.4700 8.9204 123.3574 58.6680 29.4124 177.7260 92 D 4.3436 8.3998 117.8046 56.4458 38.7456 177.1231 93 H 4.5927 8.2449 112.7942 54.1685 29.7445 174.4501 94 G 3.6463 8.1567 109.2304 45.5460 0.0000 172.5386 95 L 4.8185 7.9671 117.0553 54.3972 45.1096 176.0418 96 L 5.0629 9.2369 123.4825 53.6185 44.1415 174.7906 97 R 4.9476 9.0868 127.4468 54.6510 32.1506 174.8421 98 V 4.5094 8.5042 126.1497 61.1697 34.8134 174.3888 99 R 5.4167 8.1729 123.7801 54.6212 35.2910 174.0873 100 M 5.0669 8.3420 121.3455 53.7154 35.1116 175.1307 101 V 4.4308 8.8298 117.9407 59.7758 33.3874 175.9723 102 N 4.2350 8.4091 118.9304 53.0819 37.1890 174.1164 103 L 4.4451 8.0659 119.2424 55.5100 43.0723 177.4637 104 Q 4.9624 9.7070 122.3400 53.7618 31.3842 177.3597 105 V 3.6990 8.9641 120.1824 64.8173 31.5085 178.2775 106 E 4.1865 8.1074 118.3996 58.4068 29.4010 177.3723 107 D 4.6489 8.0240 118.0321 55.8592 41.2489 176.8861 108 S 4.4229 7.7626 115.6634 58.8093 63.5131 174.5904 109 G 3.8285 8.1556 109.8514 46.5639 0.0000 170.6854 110 L 5.0418 7.3801 119.4096 53.6108 43.3120 176.0202 111 Y 4.8842 8.8292 121.3606 56.3017 42.3243 174.3701 112 Q 4.7477 7.6604 116.3840 55.6492 32.0875 173.0302 113 C 5.3308 8.7214 118.2464 56.5258 42.5001 173.1769 114 V 4.7136 8.7528 119.9476 61.5808 35.1489 173.6728 115 I 4.6733 8.2426 127.6852 59.4719 38.8560 174.9680 116 Y 4.1912 9.6893 127.2243 58.0848 37.9485 175.9395 117 Q 4.6877 8.4191 121.7270 53.0523 32.0663 173.2218 118 P 4.4773 0.0000 0.0000 62.1273 31.9212 175.6652 119 P 4.2589 0.0000 0.0000 65.8638 31.3022 177.2801 120 K 4.3352 8.0269 115.4476 56.2917 32.1928 175.8398 121 E 4.7594 7.6222 119.7600 53.1568 32.3337 173.7987 122 P 4.3598 0.0000 0.0000 63.2606 32.0017 175.3714 123 H 5.0460 8.5691 119.0203 54.6196 30.0845 174.6286 124 M 4.3333 8.7101 124.7795 54.4062 32.6060 175.7784 125 L 4.7020 8.1054 123.0780 52.7361 44.7785 176.2488 126 F 4.4997 8.4786 121.0269 56.9316 39.9943 175.3266 127 D 4.7881 8.5483 123.2797 54.2072 42.1205 176.0894 128 R 4.5834 8.5749 119.5845 55.8570 32.4544 175.7329 129 I 4.6901 8.8872 121.1027 59.8497 40.1338 175.3963 130 R 4.7120 8.5430 129.0029 54.9527 30.6616 174.3605 131 L 4.9163 9.1373 129.7307 54.5240 43.6205 175.4921 132 V 4.2785 9.3446 127.8414 61.3777 33.3149 174.1233 133 V 4.9035 8.3577 129.1351 61.7148 32.7566 175.0801 134 T 4.7263 8.9414 118.0421 59.9383 72.2641 172.6175 135 L 4.8728 8.2012 120.5895 53.0488 43.6348 177.2044 136 E 4.1191 8.5896 119.9520 56.8386 29.4707 176.9975 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 16 M 8.30 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 17 E 8.58 4.30 0.00 2.04 1.82 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 2.21 2.39 0.00 18 L 9.13 4.65 0.00 1.62 1.54 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.46 4.30 0.00 1.79 1.85 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 20 A 8.19 4.50 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 21 A 7.79 4.82 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 T 7.46 4.69 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 23 K 8.36 4.60 0.00 1.68 1.65 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 24 L 8.45 4.95 0.00 1.48 1.58 0.92 0.94 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 25 T 8.71 4.31 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 1.23 0.00 0.00 *26 E 8.45 4.84 0.00 1.72 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 2.11 1.87 0.00 27 E 9.04 4.13 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 2.40 2.37 0.00 28 K 8.72 4.34 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 29 Y 9.57 4.73 0.00 3.07 2.85 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 30 E 8.43 5.18 0.00 1.94 1.68 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 2.13 2.46 0.00 31 L 8.64 4.60 0.00 1.59 1.46 1.13 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.22 4.99 0.00 1.96 1.68 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.33 7.81 33 E 8.75 4.16 0.00 2.10 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 2.34 2.47 0.00 34 G 9.29 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 35 Q 7.88 4.17 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 36 T 8.28 5.07 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 1.20 0.00 0.00 37 L 9.00 4.76 0.00 1.72 1.65 0.48 0.50 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 38 D 8.66 5.07 0.00 2.64 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 39 V 8.46 4.30 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 0.82 0.00 0.00 0.53 0.00 0.00 40 K 8.62 4.79 0.00 1.64 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 41 C 9.44 4.54 0.00 2.70 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 0.00 0.00 0.00 42 D 8.72 4.96 0.00 2.76 2.76 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 43 Y 8.80 4.50 0.00 3.27 3.36 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 44 T 7.99 2.91 4.40 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 0.00 0.00 1.29 0.00 0.00 45 L 9.12 4.00 0.00 1.95 1.56 0.92 0.87 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 46 E 8.87 4.25 0.00 2.18 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 0.00 2.37 2.33 0.00 47 K 7.91 4.06 0.00 1.29 1.52 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.35 7.81 48 F 8.59 5.05 0.00 3.44 2.70 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 49 A 8.61 4.29 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 50 S 8.01 4.41 0.00 3.92 4.12 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 51 S 8.34 4.61 0.00 4.04 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 52 Q 8.65 4.11 0.00 1.90 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.65 2.35 0.00 53 K 8.73 5.45 0.00 1.71 1.72 0.00 1.69 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.47 7.81 54 A 9.08 5.11 1.45 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 55 W 9.63 5.44 0.00 3.22 2.92 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 56 Q 8.48 4.87 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 57 I 8.11 4.06 1.61 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.18 0.84 0.00 0.00 58 I 8.57 4.35 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.82 0.81 0.00 0.00 59 R 8.67 4.40 0.00 1.87 1.78 0.00 3.24 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 60 D 8.42 4.40 0.00 2.57 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 61 G 8.62 3.82 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 0.00 62 E 7.93 3.59 0.00 2.10 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 2.18 2.23 0.00 63 M 7.68 4.55 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 64 P 0.00 4.90 0.00 2.07 1.93 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 65 K 8.79 4.51 0.00 1.73 1.61 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.36 7.81 66 T 8.63 4.33 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 1.31 0.00 0.00 67 L 8.88 4.60 0.00 1.89 1.90 1.18 1.05 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 68 A 7.67 4.72 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 69 C 8.65 5.35 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 70 T 8.67 4.36 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 1.25 0.00 0.00 71 E 8.39 4.14 0.00 2.02 1.91 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 2.27 2.25 0.00 72 R 7.98 4.47 0.00 1.60 1.70 0.00 3.26 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 73 P 0.00 4.62 0.00 2.11 2.06 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 74 S 8.38 4.71 0.00 3.96 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 75 K 8.43 4.55 0.00 1.89 1.78 0.00 1.49 0.00 0.00 1.55 0.00 0.00 3.08 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 1.09 7.81 76 N 9.22 4.20 0.00 2.76 2.85 0.00 0.00 7.55 7.63 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 77 S 8.72 3.71 0.00 4.06 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 78 H 7.39 4.77 0.00 3.18 3.21 0.00 5.93 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.41 0.00 1.87 1.93 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.22 0.00 80 V 9.25 4.34 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 0.89 0.00 0.00 0.95 0.00 0.00 81 Q 8.71 5.10 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 82 V 8.50 4.20 2.11 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 1.14 0.00 0.00 0.95 0.00 0.00 83 G 8.33 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.58 4.34 0.00 1.90 2.14 0.00 3.34 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 85 I 8.00 4.87 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.85 0.00 0.00 86 I 8.79 4.89 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.96 0.83 0.00 0.00 87 L 9.00 5.04 0.00 1.61 1.42 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.89 4.60 0.00 1.77 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 1.47 1.78 0.00 89 D 8.58 4.95 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.60 0.00 3.04 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 91 H 8.92 4.47 0.00 3.27 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.40 4.34 0.00 2.64 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 93 H 8.24 4.59 0.00 3.09 3.30 0.00 6.05 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 94 G 8.16 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.97 4.82 0.00 1.78 1.73 0.97 0.77 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 96 L 9.24 5.06 0.00 1.87 1.56 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.09 4.95 0.00 1.99 1.65 0.00 3.30 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 98 V 8.50 4.51 1.04 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 -0.73 0.00 0.00 0.56 0.00 0.00 99 R 8.17 5.42 0.00 1.61 1.60 0.00 3.10 0.00 0.00 3.19 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 0.00 100 M 8.34 5.07 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 101 V 8.83 4.43 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 0.90 0.00 0.00 0.95 0.00 0.00 102 N 8.41 4.24 0.00 2.91 2.76 0.00 0.00 7.68 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 0.00 103 L 8.07 4.45 0.00 1.84 1.63 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 9.71 4.96 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 105 V 8.96 3.70 2.20 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 0.73 0.00 0.00 1.04 0.00 0.00 106 E 8.11 4.19 0.00 2.00 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 2.33 2.41 0.00 107 D 8.02 4.65 0.00 2.92 2.87 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 0.00 108 S 7.76 4.42 0.00 3.83 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 0.00 109 G 8.16 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 0.00 110 L 7.38 5.04 0.00 1.46 1.42 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.83 4.88 0.00 2.48 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 0.00 112 Q 7.66 4.75 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 113 C 8.72 5.33 0.00 2.16 2.75 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 0.00 114 V 8.75 4.71 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 0.88 0.00 0.00 1.00 0.00 0.00 115 I 8.24 4.67 1.56 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.62 0.00 0.00 116 Y 9.69 4.19 0.00 2.84 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 0.00 117 Q 8.42 4.69 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.19 1.78 0.00 118 P 0.00 4.48 0.00 2.28 2.26 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 119 P 0.00 4.26 0.00 2.21 2.25 0.00 3.80 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 2.01 2.02 0.00 120 K 8.03 4.34 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 121 E 7.62 4.76 0.00 1.87 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 0.00 2.23 2.31 0.00 122 P 0.00 4.36 0.00 2.12 2.00 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 123 H 8.57 5.05 0.00 3.08 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.71 4.33 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.84 0.00 125 L 8.11 4.70 0.00 1.55 1.52 0.91 0.89 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 0.00 126 F 8.48 4.50 0.00 3.23 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 0.00 127 D 8.55 4.79 0.00 2.66 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 0.00 128 R 8.57 4.58 0.00 2.02 1.88 0.00 3.12 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 129 I 8.89 4.69 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 1.01 0.00 0.00 130 R 8.54 4.71 0.00 1.94 1.91 0.00 3.10 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 131 L 9.14 4.92 0.00 2.08 2.04 1.28 0.78 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 0.00 132 V 9.34 4.28 2.11 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 0.90 0.00 0.00 0.98 0.00 0.00 133 V 8.36 4.90 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 0.88 0.00 0.00 1.04 0.00 0.00 134 T 8.94 4.73 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 0.00 135 L 8.20 4.87 0.00 1.55 1.63 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 4.12 0.00 1.95 1.86 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 2.31 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.