NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.4668 8.1227 122.4622 52.0089 20.4907 175.2799 4 S 4.8962 8.6384 115.9764 56.3444 66.0064 171.3196 5 I 4.5944 9.5400 129.1669 59.4540 40.5803 173.6459 6 A 4.9619 8.5974 128.5716 49.9854 21.4942 175.6678 7 V 4.0896 8.2075 121.2848 60.7075 34.8123 174.7159 8 E 4.3098 8.6527 127.4733 55.7144 30.5006 177.6217 9 A 4.4789 9.1245 126.8736 54.6837 18.6136 178.8884 10 E 4.5445 8.3004 111.2504 57.9804 30.0287 176.6583 11 N 4.7606 7.9264 117.5410 52.7182 39.2064 175.3104 12 F 4.0095 7.1164 112.0364 57.2113 38.2325 174.8042 13 N 4.7447 8.9882 119.6385 54.3518 38.0878 174.7134 14 A 4.6049 7.5107 118.7851 51.6490 22.2523 175.4300 15 V 4.4075 8.2251 112.0730 59.8369 36.0863 174.6787 16 G 3.7255 6.5577 108.2081 45.6335 0.0000 171.5262 17 G 5.1068 7.7470 104.8598 44.4801 0.0000 173.1882 18 T 4.3636 7.8018 113.7972 62.0792 69.1841 175.2798 19 F 3.8534 8.1934 122.9429 60.3961 39.4080 173.9713 *26 P 4.3026 0.0000 0.0000 61.7942 32.8966 176.1449 27 V 4.4642 7.2863 117.7060 61.2400 34.5485 174.3551 28 S 4.9648 8.8925 121.7234 56.8070 67.1806 172.8386 29 V 5.2095 8.4930 121.1281 61.8619 33.3930 174.2210 30 Y 5.1358 9.2459 123.7421 56.1972 41.9179 173.5287 31 T 5.0877 8.3158 116.1109 61.8995 72.1589 174.3468 32 V 4.2576 9.0632 123.7017 61.9615 34.4478 173.7038 33 N 3.9130 9.7296 121.5135 54.4753 35.7934 175.0177 34 G 3.9405 8.6194 103.2080 45.8260 0.0000 173.5404 35 N 4.9903 7.9981 117.0776 51.3536 41.1392 173.4957 36 T 4.9809 8.2140 118.8414 62.4292 70.5474 173.6062 37 A 4.7522 8.7393 125.8621 51.3611 23.6402 174.6965 38 I 5.2731 9.0010 113.0908 60.0081 40.5700 175.0467 39 N 5.4066 8.8763 120.2106 52.0366 41.0808 173.5704 40 Y 3.2858 7.7829 113.5944 59.2552 35.6486 170.5451 41 V 3.7667 7.3770 120.0526 62.2433 32.5029 174.9656 42 N 4.4011 9.8263 126.4511 52.1937 40.9864 174.8850 43 Q 3.2988 7.8676 120.3425 56.4006 27.6098 177.6314 44 G 4.0281 8.9440 115.5391 45.5568 0.0000 172.4972 45 D 4.8002 7.6223 120.1569 54.7272 41.9294 174.7271 46 Y 5.3711 7.8086 116.4705 56.1736 41.8738 173.2655 47 A 4.7748 9.2039 122.1929 50.3020 22.5864 174.6420 48 D 5.4316 8.9225 122.2444 52.7993 43.6905 175.2409 49 Y 5.1444 9.3847 119.4749 56.6337 42.5333 174.2677 50 T 5.0111 8.8039 118.5135 62.0802 70.9784 173.9062 51 I 4.8314 9.0058 125.5680 59.4053 41.4877 174.1206 52 A 5.1154 8.6316 126.1185 50.0999 21.8541 175.8103 53 V 4.1219 9.0726 121.8816 61.0190 33.3195 176.2642 54 A 3.9694 8.9228 132.0715 54.3426 18.6256 176.8418 55 Q 4.7142 7.8802 116.4715 53.8596 30.6525 175.5655 56 A 4.3439 9.0355 128.5571 51.8373 19.3948 176.6138 57 G 3.9265 7.5584 108.7673 45.8629 0.0000 170.9333 58 N 5.1412 8.4034 119.3534 53.4361 39.5907 173.5099 59 Y 4.6479 9.2450 124.9038 56.4435 40.6047 175.3084 60 T 4.4945 8.7501 121.8891 63.4106 70.1948 173.6878 61 I 4.5647 8.7292 127.6169 60.0717 39.1294 174.6788 62 S 4.9122 8.7947 121.4979 56.6991 65.1725 172.3541 63 Y 4.9265 8.8436 125.4171 57.3760 40.0610 175.1863 64 Q 5.0346 9.3279 122.9090 54.4705 29.0061 174.1385 65 A 5.4932 9.2003 125.2654 49.9314 22.9492 174.9629 66 G 4.6526 9.6985 106.5517 44.9022 0.0000 171.4886 67 S 4.3734 8.3475 113.6782 56.2127 66.1692 174.2742 68 G 3.0846 5.3800 111.8988 43.6026 0.0000 172.8945 69 V 4.4043 6.4798 111.4423 59.4788 35.7479 174.9384 70 T 4.2943 8.2499 117.6219 63.9693 69.7814 175.4845 71 G 3.9777 9.0438 113.1269 45.0784 0.0000 172.5778 72 G 4.5369 7.8295 107.0308 44.9883 0.0000 173.5082 73 S 5.2010 8.7525 118.9689 56.9639 67.9917 172.8314 74 I 4.4694 8.3645 124.8602 59.9411 38.6417 174.1404 75 E 4.9671 9.2892 129.3561 54.5491 31.6730 174.0727 76 F 5.1280 9.3151 130.0800 56.7253 41.2724 174.4035 77 L 5.5747 8.7547 125.7078 53.0160 45.9873 175.5979 78 V 5.1455 8.7757 120.1341 61.2019 35.1258 173.9512 79 N 4.3960 8.7830 126.8360 52.9922 39.4764 174.1110 80 E 4.4071 9.1528 126.3326 55.0516 31.7625 175.8380 81 N 4.2127 9.6389 123.8731 53.9769 35.7952 175.2331 82 G 3.7989 8.3002 102.8531 46.4939 0.0000 173.1956 83 S 4.5533 7.5036 113.4661 55.6999 66.1611 173.2155 84 W 4.6073 8.7709 126.1412 56.6686 29.9457 175.2483 85 A 4.7734 9.2640 126.9863 49.8864 20.7871 175.5358 86 S 4.5258 8.9468 118.2340 59.2717 62.6882 172.9583 87 K 4.7107 9.4388 126.5754 57.8429 33.4696 176.5852 88 T 4.8455 7.8382 108.4276 60.0121 72.6765 172.2309 89 V 4.9002 8.4014 121.8669 61.5860 34.6846 174.6478 90 T 4.6696 8.9167 123.7265 61.3230 71.7237 173.3517 91 A 4.4488 8.7832 128.6695 51.6567 19.3273 176.4423 92 V 4.1827 8.3845 122.4208 60.3310 32.7221 174.1358 93 P 4.0955 0.0000 0.0000 63.0775 31.7873 175.9783 94 N 4.5815 8.5230 121.0464 53.2859 37.7692 174.7861 95 Q 4.5255 8.3662 122.4219 55.9005 31.4161 175.3239 96 G 3.9746 8.0861 107.4101 44.6328 0.0000 175.6505 97 W 4.3313 8.7727 123.4247 59.6541 29.1340 176.8362 98 D 4.2065 7.9533 114.1654 54.1229 41.2109 176.6694 99 N 4.4923 7.2400 120.3074 51.8929 37.4178 174.8044 100 F 4.8079 7.1002 117.8337 58.3771 40.1839 176.3569 101 Q 4.7542 9.2608 121.3111 53.4319 33.4431 172.7726 102 P 5.0241 0.0000 0.0000 62.6448 32.4917 175.6996 103 L 4.7139 8.9628 125.4080 53.1436 45.4148 174.7164 104 N 4.7182 9.0909 125.9309 53.3664 39.3494 174.2023 105 G 4.1319 8.8989 114.4509 46.0988 0.0000 175.5033 106 G 3.9476 8.4541 109.7624 44.7182 0.0000 173.0447 107 S 5.2470 8.3199 114.9322 56.6909 67.1269 174.1595 108 V 4.5034 8.7079 121.8069 60.0328 34.6622 173.8197 109 Y 4.6492 8.7951 125.4645 57.2039 39.7034 174.1880 110 L 4.7254 8.2012 127.1121 52.4943 44.6203 176.6119 111 S 4.7213 8.8815 118.4758 57.7638 64.1396 173.9025 112 A 4.0869 8.6094 123.0491 52.6473 18.6314 177.0648 113 G 3.7170 8.2691 108.5102 44.8968 0.0000 172.3740 114 T 5.1008 8.1160 119.8434 62.2578 71.0224 173.9424 115 H 4.9874 9.1255 121.1881 54.3107 33.8828 172.1651 116 Q 5.0456 8.6937 120.3877 54.5956 30.8758 174.5508 117 V 4.9841 9.1782 124.4029 61.0661 34.4913 174.1269 118 R 4.9301 8.9331 127.6506 54.3333 33.2204 173.8680 119 L 5.1080 9.0183 125.8323 53.2374 44.4526 174.8593 120 H 5.3136 9.2390 123.7616 54.2773 33.4686 173.1410 121 G 4.1158 9.2702 113.2829 46.2153 0.0000 173.3979 122 A 4.4564 9.2084 127.7044 52.0772 19.9083 177.3015 123 G 3.9963 7.4175 103.9744 45.4841 0.0000 174.1637 124 S 4.4938 8.6144 113.7527 60.5443 63.8568 174.9050 125 N 4.5905 8.1465 118.6664 52.9018 39.7005 174.2761 126 N 4.1540 8.8735 121.5728 55.5710 39.6762 174.6130 127 W 4.1510 8.7641 117.7176 55.3022 30.7737 174.8862 128 Q 4.6334 8.8644 120.9281 55.2239 30.0032 175.1255 129 W 5.2141 7.1223 116.1982 56.4405 31.0193 172.9139 130 N 5.6988 9.9213 118.6002 51.9643 41.7888 173.7912 131 L 4.8382 8.8471 122.2427 54.4262 45.5601 175.7843 132 D 4.2210 9.2310 127.5640 56.0249 42.1628 175.8337 133 K 4.9812 7.5098 114.9501 56.3608 35.9650 173.0448 134 F 5.5096 8.8885 114.8117 55.7045 41.8518 173.6763 135 T 5.0277 9.0418 115.4985 61.8045 72.8833 172.9178 136 L 5.2036 9.2133 125.2953 53.1129 44.7629 175.5687 137 S 5.1044 8.9665 120.0269 57.7827 66.1918 174.2898 138 N 4.0271 10.1023 121.8157 53.1279 39.1538 173.8833 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 3 A 8.12 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.64 4.90 0.00 3.93 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 5 I 9.54 4.59 1.78 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 1.11 0.53 0.81 0.00 0.00 6 A 8.60 4.96 1.09 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 0.00 0.00 7 V 8.21 4.09 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 0.65 0.00 0.00 0.56 0.00 0.00 8 E 8.65 4.31 0.00 2.02 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 0.00 2.33 2.21 0.00 9 A 9.12 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.30 4.54 0.00 2.13 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 0.00 2.27 2.28 0.00 11 N 7.93 4.76 0.00 2.96 2.88 0.00 0.00 6.95 6.75 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 12 F 7.12 4.01 0.00 3.11 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 13 N 8.99 4.74 0.00 2.73 3.04 0.00 0.00 6.74 7.17 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 14 A 7.51 4.60 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.23 4.41 1.51 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 -0.74 0.00 0.00 0.53 0.00 0.00 16 G 6.56 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 17 G 7.75 5.11 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 0.00 0.00 0.00 18 T 7.80 4.36 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 19 F 8.19 3.85 0.00 2.80 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 *26 P 0.00 4.30 0.00 2.02 2.23 0.00 3.60 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 27 V 7.29 4.46 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 0.68 0.00 0.00 0.64 0.00 0.00 28 S 8.89 4.96 0.00 4.10 3.77 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 29 V 8.49 5.21 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 0.93 0.00 0.00 1.18 0.00 0.00 30 Y 9.25 5.14 0.00 3.19 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 31 T 8.32 5.09 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 1.23 0.00 0.00 32 V 9.06 4.26 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 0.60 0.00 0.00 1.06 0.00 0.00 33 N 9.73 3.91 0.00 2.96 2.99 0.00 0.00 7.14 7.65 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 34 G 8.62 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 35 N 8.00 4.99 0.00 3.03 2.67 0.00 0.00 6.94 7.20 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 36 T 8.21 4.98 4.38 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 1.28 0.00 0.00 37 A 8.74 4.75 1.09 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 0.00 0.00 38 I 9.00 5.27 2.06 0.00 0.00 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 1.77 1.09 1.31 0.00 0.00 39 N 8.88 5.41 0.00 2.24 2.53 0.00 0.00 6.92 8.10 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 40 Y 7.78 3.29 0.00 3.11 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 41 V 7.38 3.77 1.53 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 -0.21 0.00 0.00 0.58 0.00 0.00 42 N 9.83 4.40 0.00 2.35 1.72 0.00 0.00 6.28 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 43 Q 7.87 3.30 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.71 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 44 G 8.94 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 45 D 7.62 4.80 0.00 2.49 2.31 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 46 Y 7.81 5.37 0.00 3.04 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 47 A 9.20 4.77 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 48 D 8.92 5.43 0.00 2.71 2.72 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 0.00 0.00 0.00 0.00 49 Y 9.38 5.14 0.00 3.10 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 50 T 8.80 5.01 4.33 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 1.27 0.00 0.00 51 I 9.01 4.83 1.98 0.00 0.00 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 1.24 0.90 0.90 0.00 0.00 52 A 8.63 5.12 1.18 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 0.00 0.00 53 V 9.07 4.12 2.29 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 0.71 0.00 0.00 0.76 0.00 0.00 54 A 8.92 3.97 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 55 Q 7.88 4.71 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 56 A 9.04 4.34 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 57 G 7.56 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 58 N 8.40 5.14 0.00 2.85 2.73 0.00 0.00 6.84 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 59 Y 9.24 4.65 0.00 2.90 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 60 T 8.75 4.49 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 61 I 8.73 4.56 1.61 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.18 0.09 0.00 0.00 62 S 8.79 4.91 0.00 3.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.84 4.93 0.00 2.91 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 64 Q 9.33 5.03 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 65 A 9.20 5.49 1.24 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 66 G 9.70 4.65 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 67 S 8.35 4.37 0.00 3.86 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 68 G 5.38 3.08 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 69 V 6.48 4.40 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 0.95 0.00 0.00 1.01 0.00 0.00 70 T 8.25 4.29 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 71 G 9.04 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 72 G 7.83 4.54 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 0.00 0.00 0.00 73 S 8.75 5.20 0.00 3.87 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 74 I 8.36 4.47 0.94 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.01 0.00 0.00 75 E 9.29 4.97 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 2.30 2.32 0.00 76 F 9.32 5.13 0.00 3.31 2.91 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 77 L 8.75 5.57 0.00 1.66 1.90 0.85 0.52 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 78 V 8.78 5.15 2.27 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 1.10 0.00 0.00 1.26 0.00 0.00 79 N 8.78 4.40 0.00 1.44 2.21 0.00 0.00 6.98 7.19 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 80 E 9.15 4.41 0.00 1.95 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 2.23 2.38 0.00 81 N 9.64 4.21 0.00 2.93 2.91 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.30 3.80 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 0.00 0.00 0.00 83 S 7.50 4.55 0.00 3.76 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 84 W 8.77 4.61 0.00 3.24 3.14 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 85 A 9.26 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.95 4.53 0.00 4.03 3.86 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 0.00 0.00 0.00 87 K 9.44 4.71 0.00 1.96 1.90 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.80 1.75 7.81 88 T 7.84 4.85 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 1.17 0.00 0.00 89 V 8.40 4.90 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 0.88 0.00 0.00 0.99 0.00 0.00 90 T 8.92 4.67 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 1.30 0.00 0.00 91 A 8.78 4.45 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 92 V 8.38 4.18 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 0.84 0.00 0.00 0.71 0.00 0.00 93 P 0.00 4.10 0.00 2.06 1.97 0.00 3.73 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 2.04 2.09 0.00 94 N 8.52 4.58 0.00 2.75 2.63 0.00 0.00 6.96 6.69 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 95 Q 8.37 4.53 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 96 G 8.09 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 0.00 0.00 0.00 97 W 8.77 4.33 0.00 3.20 3.08 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 98 D 7.95 4.21 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.24 4.49 0.00 2.61 2.88 0.00 0.00 7.12 6.68 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 0.00 100 F 7.10 4.81 0.00 3.08 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 Q 9.26 4.75 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 102 P 0.00 5.02 0.00 1.96 2.01 0.00 3.66 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 2.05 2.12 0.00 103 L 8.96 4.71 0.00 1.79 1.64 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.09 4.72 0.00 2.77 2.73 0.00 0.00 7.12 7.98 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 0.00 105 G 8.90 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.45 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 0.00 107 S 8.32 5.25 0.00 3.69 3.86 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 0.00 0.00 0.00 108 V 8.71 4.50 1.85 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 0.54 0.00 0.00 1.01 0.00 0.00 109 Y 8.80 4.65 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 0.00 110 L 8.20 4.73 0.00 1.34 1.22 0.49 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.88 4.72 0.00 3.99 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 0.00 112 A 8.61 4.09 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 0.00 113 G 8.27 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.12 5.10 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 1.24 0.00 0.00 115 H 9.13 4.99 0.00 3.13 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.69 5.05 0.00 1.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 117 V 9.18 4.98 2.31 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 0.19 0.00 0.00 1.12 0.00 0.00 118 R 8.93 4.93 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.28 0.00 119 L 9.02 5.11 0.00 1.81 1.51 0.59 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.24 5.31 0.00 3.12 3.24 0.00 5.78 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 0.00 121 G 9.27 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 0.00 0.00 0.00 122 A 9.21 4.46 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.42 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 0.00 124 S 8.61 4.49 0.00 3.90 4.01 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 0.00 125 N 8.15 4.59 0.00 2.89 3.04 0.00 0.00 7.21 7.07 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 0.00 126 N 8.87 4.15 0.00 2.57 2.17 0.00 0.00 6.94 7.68 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 0.00 127 W 8.76 4.15 0.00 3.44 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 0.00 128 Q 8.86 4.63 0.00 1.36 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 129 W 7.12 5.21 0.00 3.48 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 0.00 130 N 9.92 5.70 0.00 3.36 3.52 0.00 0.00 6.72 6.78 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 0.00 131 L 8.85 4.84 0.00 2.07 1.84 1.06 1.70 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 0.00 132 D 9.23 4.22 0.00 1.58 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 0.00 133 K 7.51 4.98 0.00 1.89 1.99 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.37 7.81 134 F 8.89 5.51 0.00 3.03 3.17 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 0.00 135 T 9.04 5.03 4.21 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 1.19 0.00 0.00 136 L 9.21 5.20 0.00 1.48 1.57 1.01 0.76 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 0.00 137 S 8.97 5.10 0.00 3.73 3.70 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 0.00 138 N 10.10 4.03 0.00 2.72 2.76 0.00 0.00 6.90 7.44 0.00 0.00 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.