NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3761 8.0333 115.2528 62.0040 69.7677 175.7943 3 Q 4.0915 8.1799 120.5910 58.4797 29.1481 177.1224 4 A 4.0500 8.9903 120.7561 55.2329 19.1909 179.1872 5 F 4.0892 7.8716 114.2566 59.8745 38.9811 177.0800 6 S 4.6881 8.0470 112.1485 59.1296 63.5671 174.5569 7 R 4.5676 7.9795 122.1602 56.1462 30.2165 175.3487 8 V 4.7955 7.7270 116.9337 61.1774 34.3606 174.7029 9 R 4.8500 8.8239 126.0851 54.3380 34.1704 174.2604 10 F 5.0449 8.8640 121.1597 56.0371 41.6652 175.0121 11 I 5.4253 8.8903 125.0418 58.5819 41.2045 174.3381 *13 T 4.3597 8.1725 111.1873 63.3150 69.5905 173.9903 14 Q 4.2403 9.9081 126.0122 54.4136 27.2761 172.5282 15 P 4.4358 0.0000 0.0000 63.3888 31.8745 176.8002 16 S 4.5899 8.5785 112.5091 58.0770 65.1745 173.4019 17 H 4.8010 7.9284 118.6210 53.4856 29.4244 173.5965 18 P 4.4444 0.0000 0.0000 65.1237 30.9907 178.9992 19 G 3.6025 8.0677 104.4978 48.0012 0.0000 175.2883 20 N 4.3105 8.1249 119.0775 55.8284 38.3836 177.8138 21 V 3.6650 7.6956 119.3726 65.8239 31.8282 178.0233 22 G 3.9315 7.8239 106.5211 47.4366 0.0000 175.4593 23 S 4.2281 8.2693 118.2334 61.2256 62.8858 176.6781 24 A 3.9093 8.3133 123.2813 55.2633 17.9932 179.4028 25 A 3.9450 8.2998 119.4963 55.3513 18.3315 179.9401 26 R 3.7970 8.2199 116.7903 59.6434 30.0036 178.0130 27 A 3.9486 8.1155 119.5858 55.9296 18.6128 179.4968 28 I 3.8121 7.9283 110.5781 63.6099 37.5131 178.3297 29 K 4.4212 7.9886 122.8197 58.5753 32.1183 179.7588 30 T 4.1815 8.0561 110.0540 61.5379 68.7046 175.0548 *32 G 3.6071 7.8856 107.7944 45.9275 0.0000 173.1387 33 F 5.1932 8.8797 119.0538 55.8522 41.2564 176.3888 34 G 4.2194 8.8421 107.8613 44.9102 0.0000 172.0641 35 E 4.5650 8.3618 121.8759 54.4935 31.2054 173.7971 36 L 5.1612 8.4317 129.4829 53.5072 44.6815 175.0118 37 V 4.8495 8.9478 125.5533 61.1681 34.6896 173.9121 38 L 4.9126 8.8047 127.6955 53.1775 44.0413 175.4716 39 V 4.6632 8.2934 122.2588 61.2151 34.0942 175.3519 40 A 3.9119 9.2174 133.1821 52.3412 16.5087 174.5881 41 P 4.7722 0.0000 0.0000 63.1643 32.2425 177.2647 42 R 4.0482 8.3743 117.9018 57.5122 30.4432 176.9854 43 F 4.7531 7.7669 115.4433 54.6931 42.7332 172.6772 44 P 4.4765 0.0000 0.0000 62.2615 32.7600 174.5640 45 D 3.9479 8.5802 115.8576 55.4156 40.3741 174.2320 *47 T 4.2443 8.3981 114.7296 61.4002 70.5464 174.3753 48 A 4.3973 7.7453 122.3017 52.3423 19.4058 177.8804 49 Q 4.1819 7.7202 116.4889 54.7476 30.7960 174.8837 50 P 4.2365 0.0000 0.0000 66.0661 31.3853 178.7238 51 E 3.9503 8.1912 116.3200 59.3200 29.4087 179.2688 52 A 4.0373 7.8606 120.1609 55.3144 18.4542 179.7558 53 V 3.5996 7.6360 114.9362 66.0657 31.7225 177.5598 54 A 4.1796 7.9749 120.9476 54.6753 18.1726 178.9859 55 L 4.0863 7.7661 113.2892 55.7484 41.7208 177.7248 56 A 4.5826 7.4135 121.0706 51.3725 19.6711 175.8159 57 S 4.0541 8.0914 112.6172 60.8972 62.4193 175.2887 58 G 3.9214 9.2386 114.0567 45.1198 0.0000 172.8359 59 A 4.7508 9.3887 121.8944 51.6169 19.8578 178.0758 60 L 3.9989 8.2111 121.7117 59.3729 41.6497 178.9184 61 D 4.3773 8.1644 118.3998 56.7191 38.8715 178.8924 62 V 3.5914 7.6727 118.0028 65.3723 31.7846 177.0737 63 L 4.1192 7.8976 120.1323 58.4770 41.6965 178.9075 64 E 4.0221 8.6237 117.5267 58.9921 29.5168 178.6819 65 R 4.3176 7.7260 112.7413 55.4317 30.2775 176.4357 66 A 4.6018 7.4370 122.4229 51.9490 19.0768 177.2839 67 A 4.1953 8.7123 124.7310 51.5763 20.0203 176.1643 68 V 4.7674 8.2523 121.9522 61.4510 33.7762 174.4646 69 H 5.1417 9.1446 123.6611 54.2162 32.7784 174.2895 70 D 4.4598 8.9610 119.8085 56.3294 40.9907 177.4424 71 T 4.7308 7.4279 108.8640 58.8214 73.1840 174.4131 72 L 3.9737 8.4564 124.0979 58.2338 42.0745 178.9568 73 E 3.9159 8.2145 118.2365 59.6091 29.1986 178.8797 74 E 3.8487 7.8567 117.2675 59.2286 29.7504 178.3944 75 A 4.0752 7.4252 119.0605 54.9049 18.7630 179.0038 76 L 4.1585 8.1464 116.0076 55.8596 41.6613 178.8983 77 A 3.9483 7.3527 122.2732 54.9491 18.2361 177.1551 78 P 4.3974 0.0000 0.0000 63.6342 31.7571 176.5356 79 V 3.9526 7.8529 120.4285 62.3408 31.8719 175.6015 80 T 4.2614 8.4274 117.3440 62.9392 70.3178 174.5175 81 L 4.1564 8.1108 123.8656 53.1986 45.2321 174.7395 82 A 5.0672 8.5961 128.1128 50.0469 22.2713 174.4221 83 F 5.1855 8.8499 120.7271 55.4568 41.5724 174.9900 84 A 4.4221 9.0694 127.2744 51.6387 19.2769 176.2198 85 L 4.8020 8.8590 126.8339 54.6798 41.0234 175.7721 86 T 4.4717 9.0128 123.2175 61.4791 68.0850 175.3643 87 T 4.5362 8.6414 117.5025 62.6659 70.4396 174.6552 88 R 4.6989 7.6105 119.2422 54.1847 31.7490 176.4078 89 V 4.0263 8.2797 122.1043 62.6351 32.2886 175.3190 90 R 4.8144 8.3403 125.4253 53.7924 33.8168 174.9491 91 D 4.3222 8.6319 120.2009 55.5855 41.8513 175.8484 92 L 3.6319 8.5989 124.0687 56.4399 38.8935 173.5923 93 G 4.3278 7.9071 108.3189 43.2855 0.0000 170.5347 94 P 4.7788 0.0000 0.0000 59.8705 33.9390 172.5311 95 P 4.0787 0.0000 0.0000 61.9399 31.5176 175.8472 96 P 4.3008 0.0000 0.0000 64.3115 31.8136 175.6665 97 C 4.7274 7.7284 119.5003 57.5105 32.3995 172.8370 98 D 5.1188 8.4804 126.6930 51.7106 40.8821 177.1349 99 I 3.5467 8.0424 119.7275 63.8558 38.4002 178.1048 100 R 4.1531 8.3826 121.8698 58.5149 29.8185 178.0751 101 E 3.8690 8.5146 117.7456 59.5442 29.5496 179.0186 102 A 3.4934 7.9070 120.4898 55.1474 18.4265 179.6301 103 A 3.8997 7.6928 119.1791 54.8289 18.3658 180.0161 104 G 3.5445 7.8384 103.9145 47.9787 0.0000 175.7478 105 L 3.9822 7.9321 121.7854 57.4466 41.7129 179.2662 106 A 4.0250 8.3440 120.9725 55.4714 18.3227 179.6883 107 R 3.7963 7.9793 116.8007 59.7691 30.2320 179.0735 108 R 3.9624 7.9151 117.8714 59.2605 30.0731 178.4488 109 H 4.0924 9.0346 118.8413 59.3323 29.7328 177.0089 110 L 4.2135 7.9438 118.0343 56.5137 41.6401 178.2935 111 D 4.5381 7.7048 118.3414 56.3623 41.1835 177.5656 112 D 4.8677 8.0254 117.5925 54.1668 41.8486 176.4539 113 T 4.3650 7.4137 116.3786 61.2818 68.7674 174.3324 114 E 3.9071 8.8329 126.9813 58.7694 29.6114 178.4525 115 A 4.7142 7.7600 118.5478 51.4603 19.6909 176.1385 116 G 3.7378 7.8950 107.5661 46.8439 0.0000 174.0374 117 V 4.5231 8.5081 121.2817 60.8601 34.6581 174.2404 118 V 4.8449 8.6855 127.9596 61.3022 33.5404 174.2915 119 A 5.1493 8.8539 128.7702 50.1128 22.5320 174.6873 120 I 4.8366 8.2487 121.1850 59.4164 40.2374 174.8152 121 V 4.8270 8.7520 126.7462 61.0980 33.7901 174.1234 122 L 5.0137 9.0253 128.2677 53.1180 44.3472 177.4860 123 G 4.1238 8.3986 111.1124 44.7190 0.0000 172.9579 124 T 4.3700 8.1388 115.0146 62.3403 69.3779 175.6565 125 E 4.1098 8.8409 125.1893 59.4305 30.0090 179.5394 126 R 3.9384 8.2282 116.6276 58.8120 30.1358 177.1657 127 A 4.5521 7.5244 114.9258 50.3544 20.6801 177.4813 128 G 3.9290 8.2804 105.8450 45.1721 0.0000 172.7203 129 L 4.5253 8.3243 119.0130 53.8268 42.8505 177.5921 130 T 4.0772 9.1856 114.6816 61.6619 70.7780 175.1829 131 N 4.2680 8.8587 119.7611 56.5344 38.2942 177.2303 132 A 3.9595 7.9869 120.7892 55.4122 18.7644 179.1662 133 Q 4.0769 7.7687 116.1732 59.3603 28.8706 179.0570 134 I 3.7074 7.6990 120.6474 64.7736 36.9438 178.3057 135 E 4.0604 7.9532 117.7458 58.9193 29.3007 178.9686 136 L 4.0856 7.7226 118.2853 56.2271 41.9309 177.1654 137 C 4.4075 7.0292 115.9125 59.0943 29.3692 173.5895 138 H 4.3257 8.5573 119.1779 58.5789 28.7617 176.0023 139 R 4.7501 7.9921 115.7770 54.1059 34.3205 174.3005 140 I 5.0540 8.4194 121.1040 59.5004 40.4899 174.0174 141 C 5.8852 9.6344 123.6019 56.1503 33.8267 171.9353 142 H 5.3014 8.5014 112.2935 54.6388 31.8435 172.2722 143 I 4.2926 7.5142 119.2825 58.9698 38.0388 175.9109 144 P 4.5083 0.0000 0.0000 62.1171 28.8881 175.3627 145 A 4.5193 7.4397 123.9756 50.0213 21.9647 176.4018 146 N 4.5064 8.5765 115.8363 53.2586 38.0261 173.9408 147 P 4.4067 0.0000 0.0000 65.6700 31.7865 177.7170 148 Q 4.0336 8.7800 117.0210 58.8311 27.8540 177.1975 149 Y 4.4021 8.6961 116.0878 56.4645 38.6593 176.7382 150 S 4.3972 8.7517 119.3975 61.2278 62.8605 173.2954 151 S 4.8903 7.3314 112.2762 58.2154 65.9070 174.1016 152 L 4.6267 8.2938 120.5335 52.8875 43.2899 176.2948 153 N 4.6266 8.5524 121.0266 53.6616 39.7987 176.0726 154 V 3.8032 8.5344 116.7470 63.8601 31.9923 178.5534 155 A 4.1269 8.0605 119.9124 54.3791 18.3325 179.5815 156 Q 3.8693 8.8346 117.3551 59.0273 28.8536 178.2969 157 A 4.0072 7.8933 121.7743 54.9710 18.3509 179.3722 158 L 3.8723 8.0014 118.7519 58.3990 42.1660 178.8262 159 Q 3.9749 7.8484 117.6995 59.3247 28.7132 179.4764 160 L 4.1200 8.0182 119.1154 57.7939 41.7395 179.4146 161 A 4.0024 8.3976 120.7567 55.2528 18.2747 179.5200 162 A 4.2048 8.5027 119.6414 55.0620 18.4001 179.6006 163 W 4.4923 8.8311 127.2754 60.7678 30.4853 177.8760 164 E 3.5391 8.6027 118.8135 59.3001 28.7033 179.3195 165 L 3.9375 8.0781 117.6817 57.8132 42.0454 178.9893 166 R 4.1370 9.0315 119.7096 60.0765 30.1254 177.8059 167 Y 3.7498 7.8736 118.9951 60.3380 38.4418 177.4464 168 A 4.1364 7.6859 120.0639 53.6178 18.8058 178.4619 169 L 4.3073 7.5201 115.8303 55.2253 42.2415 176.6508 170 L 4.2031 7.2841 122.8481 54.9551 41.5231 176.6889 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 8.03 4.38 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 1.22 0.00 0.00 3 Q 8.18 4.09 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 4 A 8.99 4.05 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 5 F 7.87 4.09 0.00 2.97 3.18 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 6 S 8.05 4.69 0.00 4.13 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 7 R 7.98 4.57 0.00 1.91 2.16 0.00 3.08 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 8 V 7.73 4.80 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 -0.16 0.00 0.00 0.84 0.00 0.00 9 R 8.82 4.85 0.00 1.64 1.73 0.00 3.11 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 10 F 8.86 5.04 0.00 2.95 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 11 I 8.89 5.43 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 0.94 1.86 0.94 0.00 0.00 *13 T 8.17 4.36 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 1.23 0.00 0.00 14 Q 9.91 4.24 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 15 P 0.00 4.44 0.00 2.25 2.23 0.00 3.79 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 2.11 2.00 0.00 16 S 8.58 4.59 0.00 3.95 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 17 H 7.93 4.80 0.00 3.29 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.44 0.00 2.14 2.09 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 19 G 8.07 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 0.00 0.00 0.00 20 N 8.12 4.31 0.00 2.97 2.92 0.00 0.00 6.72 7.42 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 21 V 7.70 3.67 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 1.15 0.00 0.00 1.01 0.00 0.00 22 G 7.82 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 23 S 8.27 4.23 0.00 4.00 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 24 A 8.31 3.91 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 25 A 8.30 3.95 1.41 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 26 R 8.22 3.80 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 27 A 8.12 3.95 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 28 I 7.93 3.81 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.08 0.21 0.00 0.00 29 K 7.99 4.42 0.00 1.90 1.90 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.34 7.81 30 T 8.06 4.18 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 *32 G 7.89 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 0.00 0.00 0.00 33 F 8.88 5.19 0.00 3.42 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 34 G 8.84 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 0.00 0.00 0.00 0.00 35 E 8.36 4.57 0.00 2.13 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 0.00 2.34 2.33 0.00 36 L 8.43 5.16 0.00 1.88 1.56 1.04 0.81 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 37 V 8.95 4.85 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 1.04 0.00 0.00 0.98 0.00 0.00 38 L 8.80 4.91 0.00 1.65 1.57 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.29 4.66 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 1.00 0.00 0.00 1.02 0.00 0.00 40 A 9.22 3.91 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 41 P 0.00 4.77 0.00 2.38 2.11 0.00 3.77 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 2.00 2.01 0.00 42 R 8.37 4.05 0.00 1.88 1.77 0.00 3.11 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 43 F 7.77 4.75 0.00 2.97 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 44 P 0.00 4.48 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 45 D 8.58 3.95 0.00 2.81 2.63 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 0.00 0.00 0.00 0.00 *47 T 8.40 4.24 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 1.23 0.00 0.00 48 A 7.75 4.40 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 49 Q 7.72 4.18 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 50 P 0.00 4.24 0.00 2.13 2.10 0.00 3.57 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 2.10 2.18 0.00 51 E 8.19 3.95 0.00 1.99 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 2.37 2.35 0.00 52 A 7.86 4.04 1.39 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 0.00 0.00 53 V 7.64 3.60 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 0.85 0.00 0.00 0.98 0.00 0.00 54 A 7.97 4.18 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 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0.00 0.90 0.00 0.00 80 T 8.43 4.26 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 1.21 0.00 0.00 81 L 8.11 4.16 0.00 1.13 1.10 0.36 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.60 5.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 5.19 0.00 2.95 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 84 A 9.07 4.42 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 85 L 8.86 4.80 0.00 1.68 1.79 0.94 0.94 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 86 T 9.01 4.47 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 1.30 0.00 0.00 87 T 8.64 4.54 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 1.24 0.00 0.00 88 R 7.61 4.70 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 C 7.73 4.73 0.00 3.14 3.06 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 0.00 0.00 0.00 98 D 8.48 5.12 0.00 2.80 2.77 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 99 I 8.04 3.55 1.82 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 1.16 1.13 0.88 0.00 0.00 100 R 8.38 4.15 0.00 1.94 2.06 0.00 3.25 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 101 E 8.51 3.87 0.00 2.14 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 2.40 2.65 0.00 102 A 7.91 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.69 3.90 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 0.00 104 G 7.84 3.54 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 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7.41 4.37 4.14 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 1.18 0.00 0.00 114 E 8.83 3.91 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 2.30 2.27 0.00 115 A 7.76 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 0.00 116 G 7.90 3.74 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 0.00 0.00 0.00 117 V 8.51 4.52 2.21 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 0.91 0.00 0.00 0.97 0.00 0.00 118 V 8.69 4.84 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 1.01 0.00 0.00 0.96 0.00 0.00 119 A 8.85 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.25 4.84 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.87 0.99 0.00 0.00 121 V 8.75 4.83 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 1.08 0.00 0.00 0.93 0.00 0.00 122 L 9.03 5.01 0.00 1.55 1.57 1.04 0.85 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 0.00 123 G 8.40 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 0.00 124 T 8.14 4.37 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 1.24 0.00 0.00 125 E 8.84 4.11 0.00 2.04 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 0.00 2.41 2.37 0.00 126 R 8.23 3.94 0.00 1.86 1.99 0.00 3.39 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 127 A 7.52 4.55 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 0.00 128 G 8.28 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 0.00 129 L 8.32 4.53 0.00 1.66 1.62 0.98 0.86 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 0.00 130 T 9.19 4.08 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 1.26 0.00 0.00 131 N 8.86 4.27 0.00 2.75 2.92 0.00 0.00 6.80 8.02 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 0.00 132 A 7.99 3.96 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 0.00 133 Q 7.77 4.08 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 134 I 7.70 3.71 2.00 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 1.53 0.80 0.91 0.00 0.00 135 E 7.95 4.06 0.00 2.10 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 2.33 2.41 0.00 136 L 7.72 4.09 0.00 1.68 1.68 0.90 0.67 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 0.00 137 C 7.03 4.41 0.00 2.93 2.86 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 0.00 138 H 8.56 4.33 0.00 2.85 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.99 4.75 0.00 1.33 1.84 0.00 3.17 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.41 0.00 140 I 8.42 5.05 1.90 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 1.45 1.06 0.93 0.00 0.00 141 C 9.63 5.89 0.00 3.08 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 0.00 142 H 8.50 5.30 0.00 3.39 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.51 4.29 1.87 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 1.21 0.62 0.90 0.00 0.00 144 P 0.00 4.51 0.00 2.03 2.03 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 145 A 7.44 4.52 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 0.00 146 N 8.58 4.51 0.00 2.89 2.93 0.00 0.00 6.88 7.71 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 0.00 147 P 0.00 4.41 0.00 2.10 2.17 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 148 Q 8.78 4.03 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 149 Y 8.70 4.40 0.00 2.94 3.06 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 0.00 0.00 0.00 150 S 8.75 4.40 0.00 3.87 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 0.00 151 S 7.33 4.89 0.00 4.08 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 0.00 152 L 8.29 4.63 0.00 1.55 1.61 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.55 4.63 0.00 2.75 2.65 0.00 0.00 7.71 7.71 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 0.00 154 V 8.53 3.80 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 0.96 0.00 0.00 155 A 8.06 4.13 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 0.00 156 Q 8.83 3.87 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 157 A 7.89 4.01 1.39 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 0.00 0.00 158 L 8.00 3.87 0.00 1.90 1.75 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 7.85 3.97 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.78 0.00 160 L 8.02 4.12 0.00 1.92 1.79 0.93 0.98 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 0.00 161 A 8.40 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.20 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 0.00 163 W 8.83 4.49 0.00 3.50 3.44 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 0.00 0.00 0.00 0.00 164 E 8.60 3.54 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 2.55 2.51 0.00 165 L 8.08 3.94 0.00 1.78 1.71 0.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 166 R 9.03 4.14 0.00 2.12 2.31 0.00 3.31 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 167 Y 7.87 3.75 0.00 1.91 2.52 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 0.00 168 A 7.69 4.14 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 0.00 169 L 7.52 4.31 0.00 1.28 1.58 0.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.28 4.20 0.00 1.50 1.48 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.