NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8901 8.3549 109.7289 44.4214 0.0000 174.6022 4 P 4.0098 0.0000 0.0000 61.7600 32.7157 172.9789 5 E 3.8939 9.5865 125.8373 58.9136 31.1104 175.4739 6 Y 5.0123 7.3800 116.9864 56.6850 39.8082 174.6291 7 K 4.8833 9.9619 124.7953 55.1974 34.0204 175.8107 8 V 4.8463 8.7955 124.8641 60.9756 34.6926 174.0865 9 A 4.8885 8.9072 128.0651 50.0199 22.7418 174.8086 10 I 5.0450 8.4400 120.7857 59.4217 41.0306 174.2242 11 L 5.1938 8.9063 129.3961 53.7434 44.4096 175.0473 12 T 4.7054 8.9774 124.3213 62.5409 70.2910 173.9935 13 V 4.6859 8.2797 126.8926 61.4122 33.5748 174.8557 14 S 4.6446 8.9796 118.3343 57.1016 66.3198 176.5708 15 D 4.4228 9.3531 129.3877 58.5131 40.7132 178.9208 16 T 3.7965 8.0245 114.9167 67.0905 68.5224 176.2193 17 V 3.8567 8.4180 119.8932 66.5063 31.4071 178.3645 18 S 4.1843 8.2830 111.5322 60.6017 62.3353 175.0144 19 A 4.3171 7.8772 121.4401 51.9846 18.7373 178.2219 20 G 3.8392 8.0802 105.9939 45.3590 0.0000 175.0261 21 A 4.2586 7.6445 119.8877 52.5041 18.3061 177.0654 22 G 3.8953 7.0589 103.0386 44.9991 0.0000 170.8856 23 P 4.6228 0.0000 0.0000 61.0736 33.4001 174.1086 24 D 4.7318 8.3049 117.3709 52.9143 41.1508 176.3843 25 R 4.3466 8.4518 126.5870 57.4820 31.2164 178.8174 26 S 4.5172 8.1919 112.7718 60.2064 63.6148 175.9388 27 G 3.9856 10.0792 111.7331 46.9582 0.0000 173.7600 28 P 4.3474 0.0000 0.0000 65.0296 31.3304 178.6200 29 R 3.8666 7.5930 117.6836 59.1066 30.0069 178.7379 30 A 3.9760 8.1895 120.5881 55.0623 18.3675 179.6774 31 V 3.5129 8.1424 117.1080 66.4744 31.5934 178.3489 32 S 4.1392 8.0777 112.6443 61.0542 61.9215 176.2180 33 V 3.5607 7.8029 120.7012 65.8276 31.5879 177.6965 34 V 3.7430 7.8685 117.9359 66.2610 31.2621 177.4074 35 D 4.3417 8.0652 118.2663 57.6207 40.6233 178.7456 36 S 4.2513 8.2947 111.3204 60.0902 62.5999 174.9388 37 S 4.6726 8.2804 116.2458 58.5059 63.0926 175.3261 38 S 4.0995 8.2070 118.0700 62.0107 61.9845 175.4042 39 E 3.9341 8.2253 121.1035 59.2558 29.2345 178.5633 40 K 3.9138 8.0178 118.7699 59.2441 32.3913 177.9589 41 L 4.1962 8.0161 117.1086 55.4027 41.8420 177.5794 42 G 3.8953 8.6439 108.0286 44.9758 0.0000 170.3213 43 G 3.6953 10.5699 115.2928 44.8274 0.0000 173.1269 44 A 4.9836 8.4480 127.1344 50.3806 22.6397 174.9361 45 K 4.6040 8.6828 119.8503 55.1848 36.4203 174.9694 46 V 4.4599 7.6403 125.6912 62.1162 31.8267 175.9136 47 V 4.3669 8.2214 120.5643 60.7731 32.6616 175.5500 48 A 4.5352 7.2315 120.2798 51.5290 22.0095 175.5688 49 T 5.8098 8.7634 108.6303 59.9031 72.4747 172.2695 50 A 4.8753 8.6667 122.8365 51.0299 23.4425 174.6997 51 V 4.9396 8.2394 117.3890 61.6113 34.5797 174.9837 52 V 4.6976 8.3859 118.6623 58.9615 36.5344 173.0901 53 P 4.8281 0.0000 0.0000 62.2572 32.7813 177.2198 54 D 4.7895 9.3480 121.0027 53.4500 38.4708 175.1858 55 E 4.6437 7.8804 119.5124 53.6165 34.3528 176.7745 56 V 3.6150 8.6645 117.4273 64.7246 31.6546 178.5853 57 E 4.0623 8.0662 117.7160 59.4161 29.4981 179.4481 58 R 3.9222 7.8764 117.7043 59.0633 30.1186 179.0195 59 I 3.7690 7.5722 119.6276 63.9913 37.2197 178.3568 60 K 3.8540 8.4322 119.6925 59.6267 31.8921 178.8571 61 D 4.3068 7.9790 118.9155 57.5608 40.7720 179.2144 62 I 3.3048 7.0840 118.9656 64.1983 37.0281 178.4420 63 L 4.0289 7.6408 119.7988 57.9709 41.4026 179.4144 64 Q 3.9511 8.6217 118.2347 58.7482 28.6303 178.4937 65 K 3.8590 8.4534 120.6535 59.7950 31.9426 178.9859 66 W 4.4800 8.7320 118.8291 59.2518 28.7123 178.9142 67 S 4.2284 7.9073 116.2135 60.7781 62.6234 175.6461 68 D 4.5979 8.5084 120.0430 55.6494 41.0604 177.6963 69 V 4.1089 7.8111 117.6024 64.7495 32.3838 176.6690 70 D 4.4749 8.1912 116.4554 54.3774 41.2322 173.8679 71 E 3.6424 7.3834 122.0526 56.4623 29.8224 174.3271 *73 D 4.7398 8.3455 120.3113 54.0682 44.0548 175.1526 74 L 4.9200 7.7515 120.5245 53.9754 46.1289 174.2539 75 I 5.0868 8.9521 127.0529 59.6162 40.7863 174.2643 76 L 5.2511 8.7387 127.3890 53.2908 43.9946 175.7752 77 T 5.1215 8.6753 113.2530 60.0825 72.0469 173.2973 78 L 4.8743 8.7358 122.5921 54.3474 45.0956 177.5730 79 G 4.0987 9.0071 108.8438 46.6146 0.0000 172.6861 80 G 4.2435 8.9572 104.2779 46.7971 0.0000 174.8873 81 T 4.6062 7.9407 107.2173 60.9456 69.8079 174.4061 82 G 4.5189 7.7490 112.0643 46.4797 0.0000 173.8156 83 F 4.4974 8.8876 117.4779 58.0533 40.1925 176.4107 84 T 4.0339 8.0549 117.9477 63.2630 68.7543 173.2263 85 P 4.2838 0.0000 0.0000 65.5646 31.4750 177.7465 86 R 4.1392 7.8113 114.4924 56.8960 30.7208 176.0287 87 D 4.5170 8.0418 119.5493 54.5668 40.5649 176.7162 88 V 4.7753 8.0512 114.9512 59.4131 33.5814 177.8703 89 T 3.8458 8.4904 120.0026 66.4047 68.1217 174.8482 90 P 4.2921 0.0000 0.0000 65.5870 31.0399 178.5138 91 E 3.9202 8.1545 116.8011 59.2994 29.1672 179.1296 92 A 4.0068 7.8781 120.1754 55.4082 18.7811 179.5546 93 T 3.9685 8.4202 114.7329 66.6278 68.2330 177.1254 94 K 4.0599 8.1466 120.0742 59.1805 32.1425 179.0802 95 K 4.1960 7.7227 117.0836 58.0587 32.0560 177.8597 96 V 4.3380 7.5372 110.5692 60.7931 33.6856 176.0792 97 I 4.1592 7.5932 112.6294 60.6290 38.5126 174.9791 98 E 4.6085 9.4936 121.2546 56.8963 32.0547 177.0255 99 R 4.6611 7.7035 117.7172 54.2349 33.6864 175.3271 100 E 4.5306 8.9279 123.4200 55.8961 30.9084 176.9873 101 T 4.6424 7.8234 109.3135 58.9074 68.4758 173.1019 102 P 4.5047 0.0000 0.0000 65.6409 31.7323 178.3267 103 G 3.6548 8.0834 104.8747 47.8717 0.0000 175.5923 104 L 4.0631 7.7384 120.3623 57.4186 41.6393 179.3817 105 L 4.1745 7.7335 117.9110 57.4783 41.7930 178.4734 106 F 4.0932 8.3860 120.0894 60.6584 40.7964 177.3294 107 V 3.9728 8.1046 120.8119 63.1904 27.7546 175.4741 *110 Q 4.0416 7.9747 123.5555 55.6008 31.2612 177.0081 111 E 4.0125 8.1391 117.3285 59.5783 29.4804 179.7243 112 S 4.2193 8.0155 113.5488 61.2639 62.8756 176.1387 113 L 4.1805 7.6204 121.3224 57.1159 41.0574 178.9874 114 K 3.9513 8.1725 117.6469 58.1521 32.1371 178.2293 115 I 4.1582 7.3588 119.1385 61.9253 38.3233 175.6637 116 T 4.2251 6.6693 110.5640 60.5522 70.6734 172.0813 117 P 4.1774 0.0000 0.0000 65.5349 31.4159 177.4716 118 F 4.0931 7.7925 116.0451 58.8491 39.4375 176.0224 119 A 4.2388 7.5591 126.4141 52.0455 16.1138 178.6765 *121 L 3.9924 7.6445 119.5193 54.1193 43.9081 177.6308 122 S 4.5299 7.9273 113.7270 58.2052 62.9126 173.7380 123 R 4.7281 8.2362 123.0331 55.7150 31.0972 175.7672 124 S 4.2214 7.9262 113.3080 59.5305 63.4625 174.0085 125 A 4.9259 8.2547 123.8321 50.4240 22.9612 174.3778 126 A 4.7163 7.4180 117.8217 51.0889 22.7969 176.5713 127 G 3.8807 7.3286 104.6324 46.7787 0.0000 170.9800 128 I 5.1540 8.2182 120.2701 59.4442 40.1442 175.2175 129 R 4.7162 8.9177 126.0500 55.9280 33.3476 175.6410 130 G 4.0013 9.1589 115.2341 46.8551 0.0000 174.2857 131 S 4.7546 9.1238 112.2193 58.0333 63.4092 173.6318 132 T 4.5925 8.8768 118.9811 62.7612 70.8215 173.6575 133 L 4.5838 8.5910 129.1581 54.4986 43.6846 175.2532 134 I 5.0643 9.1408 127.1659 59.5909 40.4766 174.5013 135 I 4.7701 8.4362 127.1925 59.5952 40.4130 175.5714 136 N 5.5699 8.6951 124.8066 51.3247 40.0159 172.7080 *138 P 4.2240 0.0000 0.0000 62.1326 32.4839 177.3161 139 G 3.8435 8.7830 109.4685 48.6993 0.0000 174.3817 140 N 4.3820 8.1409 116.7331 52.8135 39.0737 174.2078 141 P 4.2743 0.0000 0.0000 65.5686 31.8758 177.5529 142 N 4.5031 8.1527 114.6188 55.2339 39.3506 176.8732 143 A 4.1266 7.7496 120.8020 55.5407 18.1236 179.8857 144 V 3.5497 7.7846 114.1998 65.8434 31.6397 177.6992 145 A 4.1390 7.7995 120.0425 55.2252 18.6378 179.2072 146 E 4.1524 8.0777 116.6589 59.5019 29.5039 179.7574 147 C 4.3225 8.2180 114.0659 60.5167 27.8030 175.1804 *149 E 4.1928 8.1599 123.2345 56.2034 30.9523 177.3958 150 A 4.1547 7.8187 119.2803 54.6799 18.5737 178.8827 151 L 4.3165 7.7408 116.8246 56.3862 41.9854 178.7971 152 L 3.9306 7.9809 119.3675 57.5930 42.0171 176.7485 153 P 4.4191 0.0000 0.0000 64.5252 31.5685 176.5386 154 A 4.6764 8.3913 118.0178 50.6465 20.8729 177.5711 155 L 4.1967 8.0166 117.0942 57.7123 42.0168 178.9679 156 K 3.8721 7.9119 119.3493 59.8367 32.3148 178.0852 157 H 4.2396 8.2653 117.8211 59.0689 29.2347 176.6519 158 A 3.9041 8.4279 122.9687 55.4274 18.0068 179.7215 159 L 3.8414 7.6388 115.8574 57.3058 41.6049 179.3448 160 K 4.2055 7.6356 118.7134 59.7566 32.3135 178.7699 161 Q 4.0158 8.1099 119.3654 59.1772 28.5947 177.2289 *162 I 3.9636 7.1783 120.9253 59.9848 36.2966 179.5405 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 G 8.35 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 0.00 0.00 0.00 4 P 0.00 4.01 0.00 2.10 2.00 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 5 E 9.59 3.89 0.00 1.68 1.58 0.00 0.00 0.00 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 2.06 0.00 6 Y 7.38 5.01 0.00 3.05 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 7 K 9.96 4.88 0.00 1.75 1.66 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.37 7.81 8 V 8.80 4.85 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 1.07 0.00 0.00 0.97 0.00 0.00 9 A 8.91 4.89 0.10 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 0.00 0.00 10 I 8.44 5.04 1.92 0.00 0.00 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 1.14 0.73 0.97 0.00 0.00 11 L 8.91 5.19 0.00 1.83 1.63 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.98 4.71 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 1.27 0.00 0.00 13 V 8.28 4.69 2.17 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 0.78 0.00 0.00 0.92 0.00 0.00 14 S 8.98 4.64 0.00 3.90 3.67 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 15 D 9.35 4.42 0.00 2.68 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 16 T 8.02 3.80 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 17 V 8.42 3.86 2.09 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 1.00 0.00 0.00 0.94 0.00 0.00 18 S 8.28 4.18 0.00 3.82 3.99 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 19 A 7.88 4.32 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 20 G 8.08 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 4.26 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 22 G 7.06 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.62 0.00 2.18 2.08 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 24 D 8.30 4.73 0.00 2.73 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 25 R 8.45 4.35 0.00 1.91 1.95 0.00 3.16 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 26 S 8.19 4.52 0.00 4.05 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 0.00 27 G 10.08 3.99 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 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.28 2.33 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 29 R 7.59 3.87 0.00 1.81 2.03 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 30 A 8.19 3.98 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 31 V 8.14 3.51 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 0.98 0.00 0.00 0.97 0.00 0.00 32 S 8.08 4.14 0.00 3.95 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 V 7.80 3.56 2.23 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 0.86 0.00 0.00 0.94 0.00 0.00 34 V 7.87 3.74 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 0.94 0.00 0.00 0.99 0.00 0.00 35 D 8.07 4.34 0.00 2.91 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 36 S 8.29 4.25 0.00 3.83 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 37 S 8.28 4.67 0.00 4.04 3.84 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 0.00 0.00 0.00 38 S 8.21 4.10 0.00 4.01 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 39 E 8.23 3.93 0.00 2.08 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 2.39 2.41 0.00 40 K 8.02 3.91 0.00 1.90 1.90 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 L 8.02 4.20 0.00 1.86 1.80 0.94 1.07 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 42 G 8.64 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 10.57 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 0.00 0.00 0.00 44 A 8.45 4.98 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 45 K 8.68 4.60 0.00 1.81 1.58 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 46 V 7.64 4.46 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 0.78 0.00 0.00 0.91 0.00 0.00 47 V 8.22 4.37 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 0.66 0.00 0.00 0.76 0.00 0.00 48 A 7.23 4.54 0.87 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 49 T 8.76 5.81 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 1.22 0.00 0.00 50 A 8.67 4.88 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 51 V 8.24 4.94 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 0.86 0.00 0.00 0.96 0.00 0.00 52 V 8.39 4.70 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 0.57 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.83 0.00 2.11 2.06 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 54 D 9.35 4.79 0.00 2.75 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 55 E 7.88 4.64 0.00 1.94 1.76 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 2.28 2.31 0.00 56 V 8.66 3.61 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 0.77 0.00 0.00 0.91 0.00 0.00 57 E 8.07 4.06 0.00 1.95 1.97 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 2.38 2.32 0.00 58 R 7.88 3.92 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 59 I 7.57 3.77 1.93 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 1.46 0.74 0.85 0.00 0.00 60 K 8.43 3.85 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.63 7.81 61 D 7.98 4.31 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.08 3.30 1.37 0.00 0.00 0.58 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 0.36 -0.85 0.00 0.00 63 L 7.64 4.03 0.00 1.78 1.72 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.62 3.95 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 65 K 8.45 3.86 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.57 7.81 66 W 8.73 4.48 0.00 3.43 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 67 S 7.91 4.23 0.00 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.51 4.60 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.81 4.11 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 0.82 0.00 0.00 0.96 0.00 0.00 70 D 8.19 4.47 0.00 2.95 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 71 E 7.38 3.64 0.00 1.93 1.94 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 2.28 2.28 0.00 *73 D 8.35 4.74 0.00 2.79 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 74 L 7.75 4.92 0.00 1.61 1.43 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.95 5.09 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 1.24 0.00 0.00 76 L 8.74 5.25 0.00 1.66 1.59 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.68 5.12 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 78 L 8.74 4.87 0.00 1.62 1.59 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.01 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 0.00 0.00 0.00 80 G 8.96 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 81 T 7.94 4.61 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 1.24 0.00 0.00 82 G 7.75 4.52 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 0.00 0.00 0.00 83 F 8.89 4.50 0.00 2.91 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 84 T 8.05 4.03 4.66 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 1.23 0.00 0.00 85 P 0.00 4.28 0.00 2.04 2.12 0.00 3.69 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 2.04 2.12 0.00 86 R 7.81 4.14 0.00 1.80 1.97 0.00 3.37 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 87 D 8.04 4.52 0.00 2.95 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 88 V 8.05 4.78 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 1.05 0.00 0.00 0.96 0.00 0.00 89 T 8.49 3.85 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 1.25 0.00 0.00 90 P 0.00 4.29 0.00 2.14 2.24 0.00 3.52 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 2.11 2.20 0.00 91 E 8.15 3.92 0.00 2.03 1.98 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 2.37 2.41 0.00 92 A 7.88 4.01 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 93 T 8.42 3.97 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 1.22 0.00 0.00 94 K 8.15 4.06 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 95 K 7.72 4.20 0.00 1.88 1.85 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 96 V 7.54 4.34 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 0.76 0.00 0.00 0.93 0.00 0.00 97 I 7.59 4.16 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.53 0.99 0.00 0.00 98 E 9.49 4.61 0.00 1.86 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 2.24 2.25 0.00 99 R 7.70 4.66 0.00 1.71 1.78 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 E 8.93 4.53 0.00 1.86 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 2.32 2.31 0.00 101 T 7.82 4.64 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 1.21 0.00 0.00 102 P 0.00 4.50 0.00 2.23 2.19 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 103 G 8.08 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 0.00 104 L 7.74 4.06 0.00 1.68 1.77 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.73 4.17 0.00 1.67 1.75 1.00 0.87 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 0.00 106 F 8.39 4.09 0.00 3.22 3.33 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 0.00 107 V 8.10 3.97 2.17 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 1.03 0.00 0.00 1.09 0.00 0.00 *110 Q 7.97 4.04 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 111 E 8.14 4.01 0.00 2.05 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 2.53 2.49 0.00 112 S 8.02 4.22 0.00 4.05 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 0.00 113 L 7.62 4.18 0.00 1.82 1.71 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.17 3.95 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 115 I 7.36 4.16 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.93 0.00 0.00 116 T 6.67 4.23 4.34 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 1.29 0.00 0.00 117 P 0.00 4.18 0.00 1.60 1.91 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.89 0.00 118 F 7.79 4.09 0.00 3.08 3.12 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 0.00 119 A 7.56 4.24 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 *121 L 7.64 3.99 0.00 1.75 1.43 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.93 4.53 0.00 3.89 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 0.00 123 R 8.24 4.73 0.00 1.91 1.84 0.00 2.96 0.00 0.00 2.67 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 124 S 7.93 4.22 0.00 3.77 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 0.00 125 A 8.25 4.93 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 0.00 126 A 7.42 4.72 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 0.00 127 G 7.33 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 0.00 0.00 0.00 128 I 8.22 5.15 1.87 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 1.11 1.04 0.96 0.00 0.00 129 R 8.92 4.72 0.00 1.94 1.74 0.00 3.52 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 130 G 9.16 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 0.00 131 S 9.12 4.75 0.00 3.96 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 0.00 132 T 8.88 4.59 4.43 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 1.27 0.00 0.00 133 L 8.59 4.58 0.00 1.76 1.63 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 I 9.14 5.06 2.00 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 1.29 0.61 0.95 0.00 0.00 135 I 8.44 4.77 1.89 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 1.24 1.05 0.93 0.00 0.00 136 N 8.70 5.57 0.00 2.63 2.79 0.00 0.00 6.94 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 *138 P 0.00 4.22 0.00 2.08 2.04 0.00 3.71 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 1.94 2.11 0.00 139 G 8.78 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.14 4.38 0.00 2.77 2.77 0.00 0.00 7.16 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 0.00 141 P 0.00 4.27 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 142 N 8.15 4.50 0.00 2.75 2.86 0.00 0.00 7.02 7.10 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 0.00 143 A 7.75 4.13 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 0.00 144 V 7.78 3.55 2.09 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 0.90 0.00 0.00 0.95 0.00 0.00 145 A 7.80 4.14 1.37 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 0.00 146 E 8.08 4.15 0.00 2.03 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 2.40 2.50 0.00 147 C 8.22 4.32 0.00 3.02 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 *149 E 8.16 4.19 0.00 2.07 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 2.20 2.33 0.00 150 A 7.82 4.15 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 0.00 0.00 0.00 0.00 0.00 151 L 7.74 4.32 0.00 1.66 1.72 0.93 0.46 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 0.00 152 L 7.98 3.93 0.00 1.62 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.42 0.00 2.07 2.11 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 154 A 8.39 4.68 1.26 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 0.00 0.00 0.00 155 L 8.02 4.20 0.00 1.93 1.66 0.89 0.54 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 0.00 156 K 7.91 3.87 0.00 2.03 1.81 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.59 7.81 157 H 8.27 4.24 0.00 3.27 3.30 0.00 5.93 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.43 3.90 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 0.00 159 L 7.64 3.84 0.00 0.80 0.87 0.45 0.56 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 0.00 160 K 7.64 4.21 0.00 2.04 2.02 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.60 7.81 161 Q 8.11 4.02 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.32 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 *162 I 7.18 3.96 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.