NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4826 8.1749 117.3229 63.0767 69.8092 173.3999 3 F 3.9182 9.2032 126.2988 57.4932 39.8116 173.4336 4 T 4.6446 8.9598 119.9121 61.2890 72.8757 172.6842 5 K 4.3256 8.9862 127.2366 57.0438 31.7397 175.8850 6 A 4.4651 8.7531 130.9293 54.3226 19.7483 176.5591 7 C 4.7239 7.3530 108.7517 58.4213 33.4603 173.0836 8 S 5.1000 8.3296 112.3953 56.9286 65.9774 174.8785 9 V 4.0387 8.1485 112.5204 61.7241 30.9764 176.8129 10 D 4.8703 7.7630 120.6446 54.2010 41.2839 177.1280 11 E 3.9366 8.3753 119.0070 58.4107 29.4952 176.8643 12 V 4.1906 7.6176 117.9914 60.3532 31.8756 172.8646 13 P 4.7707 0.0000 0.0000 59.9779 33.1723 173.5514 14 P 4.5100 0.0000 0.0000 64.5257 31.4270 176.2153 15 G 4.0786 8.4519 108.1200 46.2589 0.0000 172.5172 16 E 4.8711 7.6858 119.2018 55.0890 32.5086 174.1178 17 A 4.8858 7.9255 117.0095 52.3421 22.0196 175.8113 18 L 4.5403 8.1102 124.3556 52.7333 44.6977 175.7423 19 Q 4.3045 8.6225 127.3665 57.0558 30.1755 176.0094 20 V 4.3224 8.7068 114.6255 59.4415 36.2068 176.0643 21 S 4.5318 8.0476 122.7452 57.0404 61.9541 174.2128 22 H 3.6692 7.3221 120.9377 57.2967 30.6220 174.3641 23 D 4.3415 8.9827 129.4967 54.8471 38.6129 174.5835 24 A 4.5415 8.2961 121.1700 52.8898 21.9583 178.5222 25 Q 4.2842 8.5619 119.8600 55.3161 27.4080 175.9493 26 K 4.1429 7.6694 119.2082 56.7558 33.8203 177.1980 27 V 4.4996 9.1612 124.4727 60.9184 35.0076 173.9539 28 A 4.4887 9.4525 130.3220 51.3259 20.1786 175.9801 29 I 5.0232 7.7537 122.0688 59.4983 40.1265 174.9336 30 F 5.3087 9.3980 124.7961 55.6896 43.6319 173.4288 31 N 4.8480 8.6932 119.8132 52.0777 40.9607 173.9380 32 V 4.0311 9.0660 127.6690 61.7950 31.5118 175.4378 33 D 4.4614 8.8821 123.7715 54.1533 38.5718 173.5992 34 G 3.2362 6.7100 110.3268 44.7581 0.0000 173.4673 35 E 4.4238 7.7525 122.5164 54.0593 31.7991 174.0444 36 F 5.3064 8.2851 123.2600 55.9584 41.1637 175.1722 37 F 4.9634 9.3093 121.2692 55.7852 42.6017 173.5239 38 A 5.4694 8.9699 126.1577 50.8116 21.1711 175.6781 39 T 5.4326 9.7619 113.8106 59.2554 72.7327 173.0294 40 Q 4.6184 8.8218 120.0454 56.4175 29.2271 177.0574 41 D 4.5044 8.7193 121.9472 56.5418 42.5726 175.4020 42 Q 4.8846 7.3420 118.4856 54.6293 29.8895 175.4918 43 C 4.2637 9.2848 126.2926 59.5279 32.1180 174.6868 44 T 3.9833 8.8814 116.4935 64.2636 68.3005 174.6215 45 H 4.6065 8.2078 122.4239 57.7897 30.4044 175.8335 46 G 4.0475 7.8483 106.7741 45.0502 0.0000 172.8790 47 E 3.8703 8.2191 116.1172 56.7272 27.4495 174.5039 48 W 4.8233 7.5179 129.7847 55.6577 33.0323 174.7480 49 S 4.7175 7.0795 117.5285 57.9168 61.9385 174.0499 50 L 4.3632 9.1845 129.4508 57.7372 41.8787 179.6884 51 S 3.6808 7.7509 111.9241 60.3273 63.1032 173.6835 52 E 4.2453 7.8302 122.9235 57.7856 29.1370 174.2703 53 G 4.2427 9.0596 116.1495 45.8227 0.0000 173.3477 54 G 4.0681 7.5767 108.2720 46.7054 0.0000 173.9978 *55 Y 4.6904 9.0406 120.6342 55.3582 39.5949 174.3435 56 L 4.7902 8.6485 128.5871 53.4410 42.8394 175.8960 57 D 4.7345 9.2332 128.4075 53.4373 42.3282 177.4227 58 G 4.0453 8.5591 120.6090 46.4237 0.0000 172.1308 59 D 4.8044 8.8647 122.7839 52.3654 41.1506 173.6060 60 V 4.8239 7.6040 120.0762 61.6758 33.7801 174.5286 61 V 4.7059 8.5224 128.5103 60.1834 33.3661 174.5219 62 E 5.0734 8.9289 126.8114 54.7784 31.9853 173.9967 63 C 5.0387 9.4005 127.1917 58.6691 32.4545 174.5972 64 S 4.2502 9.0994 120.6107 60.3110 63.2852 175.1528 65 L 3.5412 7.5586 122.7475 57.4657 40.9327 176.9065 66 H 4.8026 7.6929 112.4485 55.0895 30.1433 174.5810 67 M 3.7675 7.6734 117.0790 56.5059 28.8691 176.9986 68 G 4.0364 7.3329 102.9629 46.2018 0.0000 173.5801 69 K 5.2516 8.2746 118.4447 54.9917 37.0022 175.6812 70 F 5.2910 9.4586 122.1845 55.8970 44.1449 172.9507 71 C 4.9324 8.9372 121.1180 58.5478 32.4791 174.5090 72 V 3.6862 8.5494 119.2126 62.6402 31.0215 177.3228 73 R 4.0186 7.7022 119.0872 57.0175 30.7064 177.0760 74 T 4.4051 7.7508 104.8077 60.4322 70.1956 174.9796 75 G 3.9325 8.5594 110.3037 46.1689 0.0000 172.2365 76 K 4.4408 7.8516 121.9162 55.2404 33.2645 176.4045 77 V 3.7249 8.6845 127.1761 64.1268 31.3666 175.6298 78 K 4.3913 8.5965 126.1379 56.2716 33.3983 176.4443 79 S 4.3952 7.1299 111.1736 56.9662 65.7391 174.5738 80 P 4.7186 0.0000 0.0000 61.5773 31.9224 175.1778 81 P 4.0800 0.0000 0.0000 64.9534 31.2317 175.9187 82 P 4.2229 0.0000 0.0000 63.6163 31.5306 175.5769 83 C 4.4092 8.7505 119.5139 60.4098 29.2464 173.7368 84 E 4.7760 7.8609 117.6452 53.4740 31.3536 174.0945 85 P 4.7629 0.0000 0.0000 62.6176 31.8220 175.9131 86 L 4.3840 9.6987 121.7531 54.2858 42.8839 176.9532 87 K 4.3797 9.6474 123.3589 57.0236 34.4150 176.2931 88 V 4.9508 9.3450 115.2009 59.9868 35.8413 174.1845 89 Y 4.8173 8.8715 121.1676 55.7625 39.5334 174.1822 90 P 4.5451 0.0000 0.0000 63.3256 32.9880 175.2670 91 I 4.9717 8.3103 121.9142 60.1573 40.8547 174.0110 92 R 4.7042 9.5809 128.6853 54.4654 33.1399 174.8236 93 I 4.7085 8.1981 123.1075 59.6063 38.7502 176.2086 94 E 4.5633 9.0530 126.7198 53.3216 31.0955 176.0553 95 G 3.7847 8.9460 114.3995 44.9125 0.0000 171.7148 96 R 4.5975 9.1539 122.5078 55.7755 32.2712 174.1100 97 D 5.2733 7.8533 117.4409 51.9956 42.7424 175.4525 98 V 4.4584 8.5886 121.4732 60.8895 33.6067 174.3159 99 L 4.7499 9.4376 130.5339 54.6964 42.8382 176.6710 100 V 4.5892 8.5157 122.5534 59.9086 35.2549 173.6335 101 D 4.5155 7.5716 126.9706 52.0610 41.2442 175.8680 102 F 4.7220 8.1282 124.6085 59.4131 40.1161 177.7749 103 S 4.3949 8.4651 122.4454 60.5266 62.7376 176.3837 104 R 3.1012 7.9502 119.7434 57.1403 28.0959 177.1223 105 A 4.1707 7.4408 123.4303 50.5903 18.1440 178.4724 106 A 4.1911 8.6010 123.7069 52.9111 20.1963 177.2342 107 L 4.1082 8.0230 120.1682 55.5503 41.8279 175.3674 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 T 8.17 4.48 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 1.26 0.00 0.00 3 F 9.20 3.92 0.00 2.92 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 4 T 8.96 4.64 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 1.37 0.00 0.00 5 K 8.99 4.33 0.00 1.79 1.78 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.39 7.81 6 A 8.75 4.47 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 7 C 7.35 4.72 0.00 2.91 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 8 S 8.33 5.10 0.00 3.93 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 9 V 8.15 4.04 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 0.47 0.00 0.00 0.98 0.00 0.00 10 D 7.76 4.87 0.00 2.77 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 11 E 8.38 3.94 0.00 1.96 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 2.34 2.32 0.00 12 V 7.62 4.19 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 1.00 0.00 0.00 0.95 0.00 0.00 13 P 0.00 4.77 0.00 2.29 2.21 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 14 P 0.00 4.51 0.00 2.07 2.05 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 G 8.45 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 16 E 7.69 4.87 0.00 2.02 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 2.46 2.38 0.00 17 A 7.93 4.89 0.77 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 0.00 0.00 18 L 8.11 4.54 0.00 1.66 1.46 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.62 4.30 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 20 V 8.71 4.32 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 0.67 0.00 0.00 1.04 0.00 0.00 21 S 8.05 4.53 0.00 3.70 3.69 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 22 H 7.32 3.67 0.00 1.87 1.73 0.00 5.83 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.98 4.34 0.00 2.72 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 0.00 0.00 0.00 0.00 24 A 8.30 4.54 1.15 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 0.00 0.00 25 Q 8.56 4.28 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 26 K 7.67 4.14 0.00 1.62 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.32 7.81 27 V 9.16 4.50 2.14 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 0.94 0.00 0.00 0.42 0.00 0.00 28 A 9.45 4.49 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.75 5.02 1.93 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 1.24 1.40 1.03 0.00 0.00 30 F 9.40 5.31 0.00 3.06 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 31 N 8.69 4.85 0.00 2.77 2.87 0.00 0.00 6.72 7.59 0.00 0.00 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 V 9.07 4.03 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 0.99 0.00 0.00 1.11 0.00 0.00 33 D 8.88 4.46 0.00 2.89 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 34 G 6.71 3.24 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 35 E 7.75 4.42 0.00 1.93 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 2.04 2.23 0.00 36 F 8.29 5.31 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 37 F 9.31 4.96 0.00 3.07 3.09 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 38 A 8.97 5.47 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 39 T 9.76 5.43 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 1.39 0.00 0.00 40 Q 8.82 4.62 0.00 2.37 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 41 D 8.72 4.50 0.00 2.93 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 42 Q 7.34 4.88 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 43 C 9.28 4.26 0.00 3.15 3.02 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 44 T 8.88 3.98 4.36 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 1.30 0.00 0.00 45 H 8.21 4.61 0.00 3.23 3.47 0.00 5.68 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 46 G 7.85 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 0.00 0.00 0.00 47 E 8.22 3.87 0.00 2.11 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 2.29 0.00 48 W 7.52 4.82 0.00 3.31 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 S 7.08 4.72 0.00 3.48 3.31 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 50 L 9.18 4.36 0.00 1.93 1.94 0.66 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.75 3.68 0.00 3.92 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.25 0.00 1.85 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 0.00 2.04 2.15 0.00 53 G 9.06 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 54 G 7.58 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 0.00 0.00 0.00 *55 Y 9.04 4.69 0.00 1.94 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 0.00 0.00 0.00 0.00 56 L 8.65 4.79 0.00 1.84 1.77 0.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.23 4.73 0.00 2.77 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 58 G 8.56 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 0.00 0.00 0.00 59 D 8.86 4.80 0.00 2.39 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 60 V 7.60 4.82 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 1.06 0.00 0.00 0.88 0.00 0.00 61 V 8.52 4.71 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 0.85 0.00 0.00 1.14 0.00 0.00 62 E 8.93 5.07 0.00 2.11 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 2.40 2.25 0.00 63 C 9.40 5.04 0.00 3.31 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 64 S 9.10 4.25 0.00 4.07 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 65 L 7.56 3.54 0.00 0.69 1.20 -0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.69 4.80 0.00 3.26 3.24 0.00 5.78 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 67 M 7.67 3.77 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 68 G 7.33 4.04 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 0.00 0.00 0.00 69 K 8.27 5.25 0.00 1.56 1.58 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.38 7.81 70 F 9.46 5.29 0.00 2.86 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 71 C 8.94 4.93 0.00 3.00 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 72 V 8.55 3.69 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 -0.49 0.00 0.00 0.65 0.00 0.00 73 R 7.70 4.02 0.00 1.56 1.58 0.00 2.53 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 74 T 7.75 4.41 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 1.19 0.00 0.00 75 G 8.56 3.93 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 0.00 0.00 0.00 76 K 7.85 4.44 0.00 1.87 1.70 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.53 7.81 77 V 8.68 3.72 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 0.65 0.00 0.00 0.77 0.00 0.00 78 K 8.60 4.39 0.00 1.51 1.75 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.36 7.81 79 S 7.13 4.40 0.00 3.75 3.55 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 0.00 0.00 0.00 0.00 80 P 0.00 4.72 0.00 2.14 1.91 0.00 3.58 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 2.04 0.00 81 P 0.00 4.08 0.00 1.75 1.84 0.00 3.69 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 2.02 2.05 0.00 82 P 0.00 4.22 0.00 1.71 2.14 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.22 0.00 83 C 8.75 4.41 0.00 2.98 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 84 E 7.86 4.78 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 2.25 2.33 0.00 85 P 0.00 4.76 0.00 2.08 2.05 0.00 3.72 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 2.06 2.16 0.00 86 L 9.70 4.38 0.00 1.62 1.51 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.65 4.38 0.00 1.62 1.93 0.00 1.15 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.37 1.59 7.81 88 V 9.34 4.95 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 0.84 0.00 0.00 0.96 0.00 0.00 89 Y 8.87 4.82 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 1.98 2.14 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 91 I 8.31 4.97 1.94 0.00 0.00 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 1.36 0.97 1.01 0.00 0.00 92 R 9.58 4.70 0.00 1.56 1.60 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.12 0.00 93 I 8.20 4.71 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.25 0.85 0.00 0.00 94 E 9.05 4.56 0.00 2.10 1.80 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 2.14 2.11 0.00 95 G 8.95 3.78 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 0.00 0.00 0.00 96 R 9.15 4.60 0.00 1.86 1.84 0.00 3.13 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 97 D 7.85 5.27 0.00 2.76 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 98 V 8.59 4.46 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 0.77 0.00 0.00 0.22 0.00 0.00 99 L 9.44 4.75 0.00 1.87 1.98 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.52 4.59 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 0.00 0.00 1.03 0.00 0.00 0.83 0.00 0.00 101 D 7.57 4.52 0.00 1.58 1.54 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 0.00 102 F 8.13 4.72 0.00 3.04 3.10 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 0.00 103 S 8.47 4.39 0.00 4.08 3.69 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 0.00 104 R 7.95 3.10 0.00 1.80 2.19 0.00 3.40 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 105 A 7.44 4.17 0.23 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 0.00 106 A 8.60 4.19 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 0.00 107 L 8.02 4.11 0.00 1.56 1.45 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.