NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 D 4.3577 8.3649 120.5011 54.2207 41.3541 174.1459 30 E 4.5677 8.0113 123.5844 53.8545 32.2926 174.9442 31 F 4.9668 8.7518 121.8988 54.7795 42.9528 172.7289 32 P 4.8366 0.0000 0.0000 63.1408 31.5446 176.4867 33 I 4.0639 8.4554 123.0500 63.0862 37.8120 176.0791 34 G 3.8096 6.6702 106.6749 45.5802 0.0000 171.7958 35 E 4.3091 9.0115 119.7228 55.7459 30.3314 176.8602 36 D 4.9949 8.6929 123.7252 54.9565 41.8482 175.8690 37 R 4.7360 9.3538 119.7440 54.4714 34.2625 174.4237 38 D 5.2775 8.5996 120.8813 52.6468 43.5005 176.0403 39 V 4.0907 8.4573 123.9851 61.3944 34.1784 175.2373 40 G 3.5613 8.1893 119.0338 46.6666 0.0000 171.4546 41 P 4.8469 0.0000 0.0000 62.3941 31.5588 174.6513 42 L 5.1093 7.7158 119.4333 53.4888 44.8325 174.7923 43 H 5.1771 9.4423 123.6672 54.7171 31.7667 173.3862 44 V 4.9683 9.0592 126.8608 61.1122 34.0070 174.5410 45 G 4.6915 9.6694 115.1263 44.4375 0.0000 171.8338 46 G 4.5737 8.4547 107.6854 44.3401 0.0000 171.9891 47 V 5.3662 8.8711 116.9662 59.9141 36.7754 173.7859 48 Y 5.2479 9.2519 119.6870 56.0725 42.0298 174.4874 49 F 4.9821 8.0057 113.7172 56.3498 41.7257 172.9729 50 Q 3.0278 7.9227 116.3348 55.4804 28.6376 175.0686 51 P 4.2925 0.0000 0.0000 63.0224 31.9739 175.8487 52 V 4.3897 8.1529 113.2473 59.6169 34.8625 174.4827 53 E 4.3369 8.1972 121.6854 54.6152 31.6454 174.0975 *55 H 4.4023 8.3372 119.0992 55.0452 30.4663 171.1261 56 P 4.1080 0.0000 0.0000 61.9887 31.8669 175.7001 57 A 4.1651 8.2043 123.5469 51.2364 19.0004 176.1770 58 P 4.3762 0.0000 0.0000 63.5661 33.5316 179.5646 59 G 3.6218 7.5924 107.5404 46.2135 0.0000 175.1560 60 A 4.7137 8.5188 127.0977 51.3725 19.3405 177.3176 61 Q 4.1043 7.7122 118.6999 56.4099 29.3227 175.1116 62 P 4.4909 0.0000 0.0000 62.3216 32.2309 176.7070 63 S 4.3628 8.8123 115.7891 57.8705 64.7808 175.2662 64 K 3.8961 8.4484 122.3818 59.8678 31.8719 178.0932 65 E 4.1807 8.0332 117.3826 59.3462 29.6067 178.5866 66 E 4.1529 8.1913 117.5754 57.9138 29.9033 177.5608 67 A 4.2460 7.3298 120.8478 52.1016 19.2348 177.0347 68 D 4.9528 8.7214 120.9714 57.3994 41.9271 176.0567 69 C 4.8306 7.4511 110.7116 58.0216 33.1674 171.6086 70 H 4.9409 8.7329 118.4688 54.3727 32.1851 172.7420 71 I 4.7874 8.0546 126.0804 59.3958 40.2956 174.3364 72 E 5.0004 9.0644 124.9605 54.4111 33.5210 174.6802 73 A 5.2811 9.5267 125.8025 50.6414 21.4249 175.2748 74 D 5.2620 9.6576 124.0462 53.3409 42.8279 175.8803 75 I 5.1134 8.7081 124.6855 59.9013 40.2051 174.5203 76 H 5.2823 9.2802 123.2241 53.5665 33.4696 172.9348 77 A 4.5540 8.9624 123.8019 52.4037 19.7527 177.1641 78 N 4.8201 8.4713 119.4237 51.3951 40.4808 175.0417 79 E 4.0496 9.0024 116.3172 59.9880 29.9301 179.1782 80 A 4.1571 8.3425 121.2116 52.7412 20.7691 180.9130 81 G 4.5253 8.7568 105.5354 47.1691 0.0000 176.2565 82 K 4.5973 5.8620 126.5710 58.7003 32.9685 178.6372 83 D 4.2953 7.8667 117.7848 56.6402 41.1487 177.2409 84 L 4.3182 7.7825 116.1126 54.3257 41.9772 177.2915 85 G 3.8406 8.1391 108.1034 45.1715 0.0000 173.7422 86 Y 4.4628 7.6074 117.3626 57.4578 39.1919 174.4631 87 G 4.3300 8.9321 110.3733 43.6722 0.0000 173.8793 88 V 3.9866 8.2018 121.9922 64.2615 31.9028 176.4975 89 G 4.0584 9.1095 116.3312 45.1697 0.0000 173.4760 90 D 4.6857 8.0262 120.5006 53.9948 41.9291 175.9133 91 F 4.5374 9.0479 125.0862 58.5672 40.3936 174.8039 92 V 3.8796 6.9900 126.1261 60.4524 31.7610 173.6694 93 P 4.2275 0.0000 0.0000 62.8663 32.6290 175.9285 94 Y 3.6831 8.1880 112.6809 58.4810 35.1008 169.5615 95 L 4.5788 7.8658 119.8371 54.3367 43.2656 176.6937 96 R 4.4858 8.6073 119.6152 54.6844 32.4585 175.0682 97 V 4.6410 8.2121 124.0898 60.8696 33.7696 174.9026 98 V 4.4223 8.4168 126.2574 60.8930 35.3567 173.7239 99 A 5.2340 8.6256 127.7172 50.0619 22.2636 175.0601 100 F 5.1458 9.5728 119.7633 55.5952 42.2890 174.3365 101 L 5.4719 9.2341 123.7968 53.0551 44.7286 175.3571 102 Q 4.9197 9.3388 124.3942 54.0724 32.3479 173.9774 103 K 3.7153 8.6445 128.6526 55.9127 33.5652 175.8760 104 H 4.3402 8.9856 125.6854 57.6425 28.8944 175.8912 105 G 3.9796 9.1728 112.8666 44.9358 0.0000 172.8583 106 S 4.8008 7.6682 113.4409 56.5042 64.6398 173.5735 107 E 4.3658 8.5519 123.7899 57.1602 30.1093 177.1863 108 K 4.2439 7.8682 118.8652 56.1480 32.6950 176.3515 109 V 4.7594 8.2506 121.7512 61.2146 34.3169 174.0857 110 Q 4.6896 9.2590 129.1892 54.3689 31.1480 173.7530 111 K 4.5472 8.6092 127.4051 55.1571 33.9687 175.3903 112 V 4.5163 8.2308 127.9400 61.3235 35.0030 173.8636 *114 F 4.9965 8.5996 116.1382 57.7225 40.2167 174.4651 115 A 5.0517 8.6063 122.4975 49.3684 22.3222 174.0672 116 P 4.9095 0.0000 0.0000 61.9882 32.5676 175.6209 *118 N 4.3716 8.5545 117.1769 53.2250 39.8888 173.8581 119 A 4.8165 8.2408 124.4874 49.8688 21.8842 177.3382 120 G 3.6453 8.5836 106.3004 48.1662 0.0000 174.1606 121 D 4.6301 7.9721 118.0383 53.0619 39.8731 176.0641 122 G 3.6461 7.7925 107.1080 43.8068 0.0000 171.4427 123 P 4.2536 0.0000 0.0000 62.7408 31.9236 175.2649 124 H 4.7565 7.8992 116.8419 55.3627 34.1924 171.4761 125 Y 4.7973 8.8245 117.1405 56.6239 39.8018 175.7953 126 G 4.0590 9.2490 110.7160 44.9568 0.0000 170.8075 127 A 4.8071 7.3021 119.2312 50.5114 22.8194 175.9187 128 N 4.7590 9.0502 119.8978 53.1508 39.6708 175.0552 129 V 4.2142 8.8454 121.2950 60.8329 35.5231 173.9083 130 K 4.6232 8.1315 127.2883 54.3631 34.5945 175.5999 131 F 4.2495 9.4770 127.5678 57.0195 38.2533 175.8837 132 E 4.0257 9.2455 127.1884 59.4143 29.3676 178.5522 133 E 4.4521 8.5300 114.6993 55.7221 30.4167 178.3042 134 G 4.0803 8.1718 107.5379 45.3914 0.0000 173.7397 135 L 4.2295 8.6062 121.1911 54.4453 42.4430 177.5057 136 G 3.9572 7.5691 108.6142 44.9776 0.0000 171.0175 137 T 4.9065 7.6942 116.1176 62.3158 70.4411 173.9922 138 Y 5.2771 9.6568 124.0393 56.1208 42.2958 174.6857 139 K 5.0893 9.3443 122.3058 55.6848 34.1338 175.9493 140 V 5.0197 9.6031 125.0718 61.1395 34.6158 174.0098 141 R 5.0053 9.1998 128.2251 54.6562 33.0940 173.7831 142 F 5.4805 9.4636 125.8650 56.2686 41.2852 174.5389 143 E 5.1608 9.5351 123.5865 54.6413 32.1275 174.9782 144 I 4.8624 9.0950 125.4811 59.5767 40.0941 174.4960 145 A 5.1966 8.9938 129.7595 50.2289 21.0174 176.4034 146 A 3.6948 8.0654 122.2932 50.5640 19.2972 175.5814 147 P 4.6024 0.0000 0.0000 61.9128 32.0932 177.2662 148 S 4.1780 8.5233 117.7545 58.6266 63.6410 174.8282 149 H 3.8901 8.9765 123.5961 59.5191 29.3295 175.6592 150 D 4.7034 8.0477 114.3991 53.4672 39.5678 176.3030 151 E 4.4155 7.9098 119.1228 57.2023 30.5535 175.0819 152 Y 4.3774 7.1756 117.0813 56.7612 41.4440 172.9027 153 S 4.7746 7.3717 118.8862 56.9077 67.2467 173.3405 154 L 4.8004 8.0928 120.5146 53.1129 44.6897 176.4670 155 H 4.4593 8.6794 120.1036 55.7034 29.2992 175.7944 156 I 4.5657 8.1162 115.2840 60.0994 38.7148 175.4156 157 D 4.5314 7.7682 121.3247 53.0488 40.1868 176.7028 158 E 3.8749 8.8680 121.9223 59.6110 29.8524 178.0558 159 Q 4.1210 8.3074 118.1082 58.8033 29.0649 176.7554 160 T 4.4800 8.1356 103.5919 60.9850 69.5705 173.2422 161 G 4.3724 7.7188 110.3218 43.2876 0.0000 172.7155 162 V 4.5053 8.1115 111.9255 59.4650 34.4281 176.3589 163 S 4.4086 8.5311 116.2383 59.7171 63.9156 175.1408 164 G 3.8728 7.9381 109.4504 45.2247 0.0000 172.8122 165 R 4.6127 7.9247 117.3230 53.7585 34.1175 175.6768 166 F 4.3307 8.4463 119.1008 56.9670 39.5638 175.5069 167 W 4.5186 8.4278 120.2847 56.5936 28.8636 176.2733 168 S 4.2908 8.7090 115.6032 60.9972 62.4071 174.1262 169 E 4.3665 7.9876 119.1506 54.9434 30.1608 174.8856 170 P 4.8209 0.0000 0.0000 63.3729 32.2076 176.1350 171 L 4.1634 8.9984 123.9071 54.5198 42.9859 176.0005 172 V 4.9129 8.1866 121.3826 60.9990 34.2645 174.4082 173 A 4.3990 8.6448 128.5895 49.9288 21.6180 174.4875 174 E 4.7067 7.8203 122.3942 54.0381 33.3642 174.4828 175 W 4.8589 9.1995 125.2414 55.2755 32.1176 176.0511 176 D 4.6525 9.2211 123.7327 55.5580 41.6287 176.0855 177 D 5.1284 7.9436 117.5027 53.2198 40.5605 176.3574 178 F 4.5507 9.1441 122.7451 57.9975 41.1368 174.7397 179 E 4.5585 8.2310 126.3008 54.7050 30.5002 175.5044 180 W 4.2414 8.6347 135.0000 55.6775 31.6440 176.3543 181 K 3.9734 7.7827 125.3741 55.5379 32.3941 175.5622 182 G 2.7324 5.3800 104.4402 42.7605 0.0000 171.7620 183 P 2.9700 0.0000 0.0000 62.7922 31.3539 176.9846 184 Q 4.3155 5.7400 121.2387 54.3555 29.5359 175.6923 185 W 4.7872 6.9104 120.3701 57.0576 27.8562 174.0368 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 29 D 8.36 4.36 0.00 2.73 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 30 E 8.01 4.57 0.00 1.72 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 1.97 2.01 0.00 31 F 8.75 4.97 0.00 2.12 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 P 0.00 4.84 0.00 2.12 2.10 0.00 3.96 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 2.13 2.08 0.00 33 I 8.46 4.06 0.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.45 0.04 0.00 0.00 34 G 6.67 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 35 E 9.01 4.31 0.00 2.09 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 2.38 2.49 0.00 36 D 8.69 4.99 0.00 2.68 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 37 R 9.35 4.74 0.00 1.50 1.61 0.00 3.00 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.06 0.00 38 D 8.60 5.28 0.00 2.51 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 39 V 8.46 4.09 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 0.84 0.00 0.00 0.81 0.00 0.00 40 G 8.19 3.56 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 0.00 0.00 0.00 41 P 0.00 4.85 0.00 2.30 2.29 0.00 3.28 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 42 L 7.72 5.11 0.00 1.52 1.48 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.44 5.18 0.00 3.24 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.06 4.97 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 1.05 0.00 0.00 0.92 0.00 0.00 45 G 9.67 4.69 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 0.00 0.00 0.00 46 G 8.45 4.57 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 0.00 0.00 0.00 47 V 8.87 5.37 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 1.22 0.00 0.00 48 Y 9.25 5.25 0.00 3.03 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 49 F 8.01 4.98 0.00 2.91 3.21 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 0.00 50 Q 7.92 3.03 0.00 1.56 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 51 P 0.00 4.29 0.00 2.16 2.03 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 52 V 8.15 4.39 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 0.69 0.00 0.00 0.67 0.00 0.00 53 E 8.20 4.34 0.00 1.89 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 2.19 2.25 0.00 *55 H 8.34 4.40 0.00 3.14 3.25 0.00 5.98 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.11 0.00 1.98 1.84 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 57 A 8.20 4.17 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 58 P 0.00 4.38 0.00 2.14 1.94 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 59 G 7.59 3.62 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 0.00 0.00 0.00 60 A 8.52 4.71 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 61 Q 7.71 4.10 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 62 P 0.00 4.49 0.00 2.22 2.01 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 63 S 8.81 4.36 0.00 4.07 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 64 K 8.45 3.90 0.00 1.89 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.58 7.81 65 E 8.03 4.18 0.00 2.00 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 2.33 2.36 0.00 66 E 8.19 4.15 0.00 1.96 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 0.00 2.35 2.33 0.00 67 A 7.33 4.25 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 68 D 8.72 4.95 0.00 2.65 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 69 C 7.45 4.83 0.00 3.47 3.52 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 H 8.73 4.94 0.00 3.00 2.22 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.05 4.79 1.64 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.28 1.19 0.00 0.00 72 E 9.06 5.00 0.00 1.95 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 2.17 2.15 0.00 73 A 9.53 5.28 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 74 D 9.66 5.26 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 75 I 8.71 5.11 2.04 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.86 0.00 0.00 76 H 9.28 5.28 0.00 3.18 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.96 4.55 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 78 N 8.47 4.82 0.00 2.89 3.11 0.00 0.00 6.86 7.72 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 79 E 9.00 4.05 0.00 2.03 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 2.42 2.28 0.00 80 A 8.34 4.16 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 81 G 8.76 4.53 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 0.00 82 K 5.86 4.60 0.00 1.88 1.91 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.47 7.81 83 D 7.87 4.30 0.00 2.99 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 84 L 7.78 4.32 0.00 1.83 1.45 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 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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 2.25 2.16 0.00 94 Y 8.19 3.68 0.00 2.96 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 95 L 7.87 4.58 0.00 1.09 1.51 0.92 0.83 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 96 R 8.61 4.49 0.00 1.75 1.80 0.00 3.06 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 97 V 8.21 4.64 1.77 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 0.20 0.00 0.00 0.13 0.00 0.00 98 V 8.42 4.42 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 0.35 0.00 0.00 0.83 0.00 0.00 99 A 8.63 5.23 0.95 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 0.00 100 F 9.57 5.15 0.00 3.05 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 0.00 101 L 9.23 5.47 0.00 1.73 1.81 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 9.34 4.92 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 103 K 8.64 3.72 0.00 1.17 1.44 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 0.89 7.81 104 H 8.99 4.34 0.00 3.09 3.20 0.00 5.69 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 0.00 105 G 9.17 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 0.00 106 S 7.67 4.80 0.00 3.80 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 0.00 107 E 8.55 4.37 0.00 2.01 1.99 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 2.27 2.27 0.00 108 K 7.87 4.24 0.00 1.82 1.80 0.00 1.99 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.41 7.81 109 V 8.25 4.76 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 1.05 0.00 0.00 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8.05 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 0.00 129 V 8.85 4.21 1.46 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 0.10 0.00 0.00 0.58 0.00 0.00 130 K 8.13 4.62 0.00 1.70 1.57 0.00 2.07 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.60 7.81 131 F 9.48 4.25 0.00 2.98 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 0.00 132 E 9.25 4.03 0.00 2.14 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 0.00 2.38 2.31 0.00 133 E 8.53 4.45 0.00 2.16 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 2.44 2.33 0.00 134 G 8.17 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 0.00 135 L 8.61 4.23 0.00 1.60 1.45 0.79 0.33 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 0.00 136 G 7.57 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 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0.00 3.65 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 0.00 154 L 8.09 4.80 0.00 1.57 1.48 0.69 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 155 H 8.68 4.46 0.00 3.13 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.12 4.57 1.86 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 1.45 0.65 0.94 0.00 0.00 157 D 7.77 4.53 0.00 2.83 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 0.00 158 E 8.87 3.87 0.00 1.94 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 2.29 2.31 0.00 159 Q 8.31 4.12 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 160 T 8.14 4.48 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 1.26 0.00 0.00 161 G 7.72 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.11 4.51 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 0.68 0.00 0.00 0.97 0.00 0.00 163 S 8.53 4.41 0.00 3.96 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 0.00 164 G 7.94 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 0.00 165 R 7.92 4.61 0.00 1.77 1.80 0.00 3.39 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 166 F 8.45 4.33 0.00 2.89 2.41 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 0.00 167 W 8.43 4.52 0.00 3.43 3.25 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 0.00 168 S 8.71 4.29 0.00 3.91 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 0.00 169 E 7.99 4.37 0.00 2.08 1.92 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 2.36 2.31 0.00 170 P 0.00 4.82 0.00 2.00 2.10 0.00 3.74 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 2.10 2.23 0.00 171 L 9.00 4.16 0.00 1.20 1.24 -0.36 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.19 4.91 1.99 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 0.70 0.00 0.00 0.94 0.00 0.00 173 A 8.64 4.40 0.88 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 0.00 0.00 174 E 7.82 4.71 0.00 1.70 1.50 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 2.25 2.45 0.00 175 W 9.20 4.86 0.00 3.35 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 0.00 176 D 9.22 4.65 0.00 2.75 2.81 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 0.00 177 D 7.94 5.13 0.00 2.62 2.66 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 0.00 178 F 9.14 4.55 0.00 3.22 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 0.00 179 E 8.23 4.56 0.00 1.68 1.67 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 2.12 2.19 0.00 180 W 8.63 4.24 0.00 2.49 2.65 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 0.00 181 K 7.78 3.97 0.00 1.33 1.43 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 1.09 7.81 182 G 5.38 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 0.00 0.00 0.00 183 P 0.00 2.97 0.00 1.54 1.00 0.00 3.34 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 2.00 2.29 0.00 184 Q 5.74 4.32 0.00 1.37 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 1.88 1.48 0.00 185 W 6.91 4.79 0.00 3.47 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 * Residues marked with a * may have inaccurate shift predictions.