NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2957 8.3044 118.1978 55.1143 31.2801 173.8964 2 Q 3.1505 8.0788 126.5433 53.5897 28.2290 175.9407 3 K 4.2236 9.4605 127.9924 58.7081 33.1875 176.9662 4 A 4.5662 7.4934 119.4288 50.6876 22.7518 174.7314 5 V 4.1576 8.3032 120.7668 62.7791 31.5648 176.1919 6 V 4.0872 8.7369 122.2402 63.1679 32.8784 176.8109 7 M 4.8894 7.8486 119.4648 53.4859 35.9417 175.4017 8 D 4.9716 8.5560 122.6202 51.3478 42.2722 176.6599 9 E 3.8500 8.8516 119.0520 59.6912 29.1151 178.2861 10 Q 3.9141 8.1846 118.3703 59.2395 29.0934 178.0435 11 A 3.9676 8.5668 121.7767 55.4689 18.4772 179.4368 12 I 3.6961 7.9429 118.3811 64.6817 37.0709 178.5045 13 R 3.8581 8.1400 119.4180 59.5542 29.9450 178.6367 14 R 3.8990 8.3102 117.7286 59.1985 30.0229 178.9578 15 A 3.9745 8.4512 120.6919 55.3225 18.5332 179.5185 16 L 3.9166 8.0022 117.4066 58.3715 41.6662 180.1591 17 T 3.8492 8.1329 115.5711 66.5052 68.4455 176.6642 18 R 3.9173 8.1667 120.7567 59.7297 30.1237 178.4526 19 I 3.7294 8.0999 119.5047 64.2911 37.0606 178.2261 20 A 3.8162 7.8650 121.3339 55.4110 18.1502 179.3391 21 H 3.9912 8.1153 114.5747 59.1575 28.7861 177.4168 22 E 4.0315 8.7045 120.4473 59.8106 29.2321 179.2879 23 I 3.2507 7.8477 119.4787 64.6022 37.1431 178.3685 24 I 3.6873 7.6551 120.0147 64.3553 37.0042 178.0845 25 E 3.9233 8.4606 120.3195 59.4172 29.3710 178.7454 26 R 4.1803 8.7071 116.6990 58.0951 30.2665 176.8466 27 N 4.8358 7.5600 113.7175 51.7617 40.6746 174.0787 28 K 3.6467 8.9402 118.7568 57.1719 29.8076 173.1786 29 G 3.8048 8.2650 103.9825 44.9645 0.0000 172.7539 30 I 4.4160 8.0848 108.2994 60.3069 37.9078 174.9574 31 D 4.6055 7.9774 121.2202 56.0265 40.9318 176.9174 32 G 3.9647 8.9702 111.2734 45.5172 0.0000 172.1462 33 C 5.0745 7.7767 117.7988 58.6334 29.5533 173.4350 34 V 4.5290 8.6477 122.8527 61.0624 34.7015 173.9307 35 L 4.9755 8.6899 127.6303 53.2804 43.9711 175.6559 36 V 4.4361 8.6216 123.1309 60.9145 34.6493 174.4448 37 G 4.0349 8.6385 115.8426 45.6843 0.0000 172.5495 38 I 4.6062 8.6300 126.0577 60.3205 38.6686 177.0596 39 K 3.9115 9.7146 129.7742 55.3451 31.6778 177.1035 40 T 3.7206 8.3433 114.6260 67.5873 68.5128 176.6810 41 R 4.3616 8.0460 117.9834 57.5032 30.6660 178.5007 42 G 3.9249 7.7695 106.5167 46.6289 0.0000 176.4067 43 I 3.6184 7.7202 121.1658 64.3984 36.9292 178.0100 44 Y 4.2740 7.4662 117.7147 61.0314 37.6269 178.6358 45 L 3.9856 7.6655 118.7997 57.8547 41.8093 179.3226 46 A 3.9559 8.1526 120.7107 55.2895 18.2546 179.9226 47 R 3.8659 8.4088 116.7923 59.4423 30.0849 179.4616 48 R 4.0924 8.2242 117.9299 59.1990 30.0515 178.9264 49 L 3.8927 8.1981 118.7862 57.9155 41.6610 179.2854 50 A 3.9471 7.9307 120.4158 55.2056 18.1744 179.0753 51 E 3.8332 8.1286 117.4829 59.5873 29.6454 179.1560 52 R 3.8634 8.1439 117.9958 59.3995 30.1559 178.7575 53 I 3.6211 7.9772 119.7669 64.6967 37.3086 177.6778 54 E 4.7317 8.6122 121.3093 59.0082 29.0709 179.1817 55 Q 3.9730 7.9187 116.7320 58.9574 28.9270 178.4011 56 I 3.8484 8.2185 119.9450 64.2076 37.3064 177.7443 57 E 4.3921 8.6982 118.2170 55.6896 29.5267 177.9341 58 G 3.9262 7.9114 105.9767 45.5329 0.0000 173.1698 59 A 4.7444 7.3928 122.1045 49.9115 22.0106 176.2009 60 S 4.9359 8.4241 115.0482 56.8495 64.9939 173.6481 61 V 4.3663 7.8440 121.1068 60.2894 33.5215 173.7108 62 P 4.5192 0.0000 0.0000 62.5986 32.6522 175.2306 63 V 4.6657 8.3338 122.2595 61.1270 34.2156 174.8770 64 G 3.8755 8.9283 114.5073 44.4214 0.0000 171.6353 65 E 5.0808 8.6166 117.9924 54.3971 33.4236 176.0613 66 L 4.5248 8.8945 122.4446 53.6584 45.5169 175.3287 67 D 4.7862 8.7036 125.7315 52.2879 39.5845 177.0784 68 I 4.1591 7.8254 124.7489 62.0017 34.7299 175.9234 69 T 4.3698 7.6825 118.0769 64.7122 69.6196 175.9584 70 L 4.2646 7.7913 121.3839 55.0969 41.3980 176.7910 71 Y 4.3274 7.9548 121.3612 56.5034 38.8532 176.0254 72 R 4.5098 7.9811 132.1970 54.9570 28.8975 177.0398 73 D 4.4197 8.0292 116.8351 55.2301 40.3984 177.5759 *91 V 3.8140 7.5053 119.2195 60.6866 32.2806 173.6271 92 P 4.2004 0.0000 0.0000 62.6927 31.8258 174.6018 93 F 4.8897 7.1375 113.2160 55.0221 40.4115 172.0974 94 P 4.4003 0.0000 0.0000 63.3303 31.2342 175.5496 95 V 4.4743 7.8253 120.1218 63.8853 35.7313 174.4009 96 T 4.0778 8.0493 115.7508 65.9087 68.8034 173.2242 97 E 3.8707 8.9713 125.3976 57.0115 29.1027 174.3938 98 R 4.7107 7.9965 114.2691 53.8599 34.2479 175.1823 99 N 4.7530 9.7220 121.8690 52.4838 39.6195 173.9649 100 V 4.2599 8.5294 127.8171 62.5186 32.8408 175.0207 101 I 4.7679 8.8759 131.0185 59.5768 38.2062 175.1806 102 L 4.5636 8.8726 128.5789 54.5545 42.9855 176.6130 103 V 4.9505 9.1583 122.6064 61.3392 34.8564 173.7406 104 D 5.0071 8.8514 125.7795 53.0632 44.8548 175.5261 105 D 4.5001 8.9083 123.1254 55.6899 40.9132 176.2720 106 V 4.9515 8.0469 117.3407 60.5158 34.8509 174.5573 107 L 4.4636 8.8225 129.2921 55.1031 43.9765 174.4372 108 F 5.2061 9.2936 127.3408 58.9730 40.8091 176.7514 109 T 3.7061 8.8552 113.2426 62.6680 70.1173 177.2739 110 G 4.0448 8.3734 109.4797 45.3453 0.0000 175.1179 111 R 3.9650 8.0148 119.5877 59.4922 29.9628 179.0258 112 T 4.2823 8.0789 115.3311 66.5267 68.4929 176.9286 113 V 3.6449 7.7245 119.9031 65.8355 31.6451 177.7583 114 R 3.8612 8.1604 118.3103 59.3788 29.8794 178.2986 115 A 3.9229 7.8973 119.6578 55.1488 18.4103 179.1440 116 A 4.0041 8.0930 119.2782 55.7907 18.3307 179.6422 117 M 3.9884 8.3867 117.1419 58.7684 32.0845 178.4415 118 D 4.3813 8.2123 118.6124 57.6874 40.8276 178.7966 119 A 3.9626 8.2517 119.8590 55.0609 18.7222 179.1440 120 V 3.7836 8.3270 116.4515 66.8978 31.7754 178.5138 121 M 4.6454 8.4422 119.3135 57.6790 31.5112 178.4724 122 D 4.4517 8.0526 118.6974 56.3558 40.8976 177.0620 123 L 4.5540 8.2831 119.6583 53.5513 43.2302 175.2721 124 G 4.0067 6.8156 103.0617 43.0435 0.0000 173.9281 125 R 4.6158 7.9769 119.7492 53.8461 28.6295 174.3427 126 P 4.9214 0.0000 0.0000 62.2491 32.2467 177.2944 127 A 4.3326 8.8738 125.4419 53.2277 19.0353 178.0213 128 R 4.7022 6.4784 114.0511 56.2566 32.8830 173.4798 129 I 5.1123 8.3026 120.9491 59.9454 40.1942 174.7565 130 Q 4.9400 9.2331 124.8740 53.9603 33.0433 174.0048 131 L 5.2967 9.3422 121.3803 53.4553 45.6587 174.8902 132 A 5.4334 9.2685 127.2005 50.4322 22.1901 175.1821 133 V 5.5636 8.7649 115.0254 58.4023 35.8947 176.7782 134 L 4.1865 8.7207 125.8481 57.7884 43.3799 177.0436 135 V 4.9884 8.2974 117.0999 59.9882 35.4406 173.9325 136 D 5.2952 8.9063 123.2617 52.5337 43.0333 175.7246 137 R 5.0274 8.2567 122.5446 55.0496 30.1763 178.8042 138 G 3.7709 8.9215 109.0587 47.1718 0.0000 173.5016 139 H 4.0589 8.8136 112.5173 56.4898 26.0869 175.0712 140 R 4.2811 7.9480 116.9963 56.4214 30.4239 175.5149 141 E 4.6799 8.6252 117.7329 55.7225 31.9576 175.4899 142 L 4.7163 7.4303 117.5433 52.4924 46.1433 174.9791 143 P 4.6691 0.0000 0.0000 62.5711 29.1275 175.6315 144 I 4.7369 7.1473 121.5678 60.3433 41.4322 175.3073 145 R 4.5831 8.0869 117.4232 54.9342 31.9449 174.5597 146 A 4.4063 8.2623 122.2895 51.9991 19.6772 177.2178 147 D 4.3880 8.8172 119.9062 55.4390 42.0897 177.2839 148 F 4.9053 7.8713 116.6804 55.4780 42.8844 174.1164 149 V 4.7284 8.5339 122.8329 61.1172 33.4840 175.4598 150 G 4.0765 9.3479 116.1724 48.4941 0.0000 174.0144 151 K 4.4126 7.5868 117.5292 55.3893 35.5802 173.5472 152 N 5.0701 8.9830 125.1009 52.6885 40.0912 175.0353 153 V 4.3737 8.6838 124.0097 59.7768 33.2702 172.4917 154 P 4.7441 0.0000 0.0000 63.3396 31.7081 175.6397 155 T 4.8231 8.2318 110.8273 60.4954 71.8468 172.9781 156 S 4.7495 9.0054 117.2536 56.7151 64.6045 174.4188 157 R 3.9716 8.6161 122.2812 59.6222 30.1019 178.2636 158 S 4.2217 8.1521 111.3581 61.3773 63.2785 174.3370 159 E 4.2734 7.8496 120.3746 56.1541 30.3134 176.2638 160 L 4.6377 8.6830 122.6852 53.3860 45.4543 175.1432 161 I 4.6362 8.2660 126.7348 60.2126 38.7023 175.1040 162 V 4.2304 8.9969 127.3843 61.1347 33.7642 174.2527 163 V 4.5718 8.4271 128.5213 61.5463 32.7197 174.4452 164 E 4.9395 9.4436 128.4153 54.6075 32.0864 175.0278 165 L 5.1266 9.6363 124.6365 52.8247 44.9158 177.4339 166 S 4.0700 9.9831 120.1893 61.6683 62.7673 176.8113 167 E 3.7505 7.9185 118.7201 57.9958 29.1885 178.0067 168 V 4.1939 7.3078 114.5276 63.1380 33.7739 175.4094 169 D 4.6993 9.1348 118.2641 53.5774 41.3109 177.3755 170 G 4.0396 9.4062 108.9381 45.2573 0.0000 173.5261 171 I 4.5871 7.0138 110.2145 59.7632 41.1202 174.2447 172 D 5.0549 8.3017 122.9141 53.4561 41.8808 175.9978 173 Q 4.7124 8.7316 121.9785 55.2522 33.3886 172.5916 174 V 5.0240 8.7773 126.6067 61.2705 34.3912 174.4408 175 S 5.1408 9.0962 120.7356 57.1145 67.2355 172.4214 176 I 4.9358 8.5286 121.4240 60.0203 39.4085 174.6175 177 H 5.2315 9.2647 123.7043 53.9521 32.0546 172.6336 178 E 4.9867 8.5706 120.8451 54.2182 33.2358 175.6829 179 K 4.1796 8.5283 121.6323 56.7073 32.3287 177.0144 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 1 M 8.30 4.30 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 2 Q 8.08 3.15 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 3 K 9.46 4.22 0.00 1.79 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.38 7.81 4 A 7.49 4.57 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 5 V 8.30 4.16 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 0.87 0.00 0.00 1.01 0.00 0.00 6 V 8.74 4.09 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 0.71 0.00 0.00 0.99 0.00 0.00 7 M 7.85 4.89 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 8 D 8.56 4.97 0.00 2.88 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 9 E 8.85 3.85 0.00 2.04 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 2.38 2.39 0.00 10 Q 8.18 3.91 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 11 A 8.57 3.97 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 12 I 7.94 3.70 2.04 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 1.41 0.87 0.91 0.00 0.00 13 R 8.14 3.86 0.00 2.12 1.98 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 14 R 8.31 3.90 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 15 A 8.45 3.97 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 16 L 8.00 3.92 0.00 1.92 1.74 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.13 3.85 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 18 R 8.17 3.92 0.00 1.89 2.18 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 19 I 8.10 3.73 1.99 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 1.54 0.62 0.78 0.00 0.00 20 A 7.86 3.82 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 21 H 8.12 3.99 0.00 3.42 3.37 0.00 5.65 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 22 E 8.70 4.03 0.00 2.21 2.40 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 2.48 2.61 0.00 23 I 7.85 3.25 1.71 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.21 0.71 0.00 0.00 24 I 7.66 3.69 1.97 0.00 0.00 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 1.35 0.76 0.95 0.00 0.00 25 E 8.46 3.92 0.00 2.14 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 0.00 2.35 2.35 0.00 26 R 8.71 4.18 0.00 2.02 2.21 0.00 3.20 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 27 N 7.56 4.84 0.00 2.89 2.82 0.00 0.00 7.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.94 3.65 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.39 7.81 29 G 8.26 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 30 I 8.08 4.42 1.85 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 1.39 0.68 0.87 0.00 0.00 31 D 7.98 4.61 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.97 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 0.00 0.00 0.00 33 C 7.78 5.07 0.00 3.04 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 34 V 8.65 4.53 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 0.75 0.00 0.00 1.02 0.00 0.00 35 L 8.69 4.98 0.00 1.53 1.46 0.91 0.82 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 36 V 8.62 4.44 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 0.75 0.00 0.00 0.15 0.00 0.00 37 G 8.64 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 38 I 8.63 4.61 1.95 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 1.25 1.35 0.98 0.00 0.00 39 K 9.71 3.91 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 T 8.34 3.72 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 1.28 0.00 0.00 41 R 8.05 4.36 0.00 1.91 2.02 0.00 3.13 0.00 0.00 3.49 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 42 G 7.77 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 0.00 0.00 0.00 43 I 7.72 3.62 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.69 0.00 0.00 44 Y 7.47 4.27 0.00 3.00 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 45 L 7.67 3.99 0.00 1.99 1.73 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.15 3.96 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 47 R 8.41 3.87 0.00 2.10 2.03 0.00 3.00 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 48 R 8.22 4.09 0.00 2.02 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 49 L 8.20 3.89 0.00 1.80 1.64 0.85 0.91 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 50 A 7.93 3.95 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 E 8.13 3.83 0.00 2.19 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 0.00 2.30 2.36 0.00 52 R 8.14 3.86 0.00 1.93 1.91 0.00 3.35 0.00 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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 2.15 0.00 95 V 7.83 4.47 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 1.13 0.00 0.00 1.00 0.00 0.00 96 T 8.05 4.08 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 1.22 0.00 0.00 97 E 8.97 3.87 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 2.26 2.32 0.00 98 R 8.00 4.71 0.00 1.90 1.97 0.00 3.35 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 99 N 9.72 4.75 0.00 2.71 2.86 0.00 0.00 7.12 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 0.00 100 V 8.53 4.26 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 0.99 0.00 0.00 1.05 0.00 0.00 101 I 8.88 4.77 1.91 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 1.30 0.80 0.94 0.00 0.00 102 L 8.87 4.56 0.00 1.73 1.60 0.96 0.95 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 0.00 103 V 9.16 4.95 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 1.04 0.00 0.00 0.96 0.00 0.00 104 D 8.85 5.01 0.00 2.80 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.91 4.50 0.00 2.78 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 0.00 106 V 8.05 4.95 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 0.00 107 L 8.82 4.46 0.00 1.85 1.55 0.98 0.62 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 0.00 108 F 9.29 5.21 0.00 2.93 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 0.00 109 T 8.86 3.71 4.06 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 0.64 0.00 0.00 110 G 8.37 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 0.00 111 R 8.01 3.97 0.00 2.12 1.97 0.00 3.22 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 112 T 8.08 4.28 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 1.31 0.00 0.00 113 V 7.72 3.64 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 1.14 0.00 0.00 0.98 0.00 0.00 114 R 8.16 3.86 0.00 1.92 2.01 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 115 A 7.90 3.92 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 0.00 116 A 8.09 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.39 3.99 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 118 D 8.21 4.38 0.00 2.97 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 0.00 119 A 8.25 3.96 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 0.00 120 V 8.33 3.78 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 1.13 0.00 0.00 1.13 0.00 0.00 121 M 8.44 4.65 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 122 D 8.05 4.45 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 0.00 123 L 8.28 4.55 0.00 1.71 1.44 0.67 0.79 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 0.00 124 G 6.82 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 0.00 0.00 0.00 125 R 7.98 4.62 0.00 1.71 1.90 0.00 3.30 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 126 P 0.00 4.92 0.00 2.10 2.01 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 127 A 8.87 4.33 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 0.00 128 R 6.48 4.70 0.00 1.96 2.08 0.00 2.74 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 129 I 8.30 5.11 1.90 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 1.39 0.72 1.01 0.00 0.00 130 Q 9.23 4.94 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 131 L 9.34 5.30 0.00 1.73 1.47 1.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.27 5.43 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 0.00 133 V 8.76 5.56 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 0.90 0.00 0.00 1.00 0.00 0.00 134 L 8.72 4.19 0.00 1.79 1.88 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.30 4.99 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 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1.97 0.00 144 I 7.15 4.74 1.87 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 1.47 0.67 0.92 0.00 0.00 145 R 8.09 4.58 0.00 1.85 1.83 0.00 3.17 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 146 A 8.26 4.41 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 0.00 147 D 8.82 4.39 0.00 2.05 1.86 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 0.00 148 F 7.87 4.91 0.00 3.04 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 0.00 149 V 8.53 4.73 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 0.85 0.00 0.00 0.95 0.00 0.00 150 G 9.35 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 0.00 151 K 7.59 4.41 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.37 7.81 152 N 8.98 5.07 0.00 2.63 2.74 0.00 0.00 6.74 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 0.00 153 V 8.68 4.37 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 1.00 0.00 0.00 0.94 0.00 0.00 154 P 0.00 4.74 0.00 2.12 2.05 0.00 3.81 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 1.99 1.98 0.00 155 T 8.23 4.82 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 1.26 0.00 0.00 156 S 9.01 4.75 0.00 3.97 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 0.00 157 R 8.62 3.97 0.00 1.75 2.02 0.00 3.31 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 158 S 8.15 4.22 0.00 4.02 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 0.00 159 E 7.85 4.27 0.00 1.98 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 2.43 2.32 0.00 160 L 8.68 4.64 0.00 1.58 1.41 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.27 4.64 1.79 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 1.16 0.92 0.89 0.00 0.00 162 V 9.00 4.23 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 0.97 0.00 0.00 0.74 0.00 0.00 163 V 8.43 4.57 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 0.87 0.00 0.00 0.95 0.00 0.00 164 E 9.44 4.94 0.00 1.97 1.87 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 2.22 2.25 0.00 165 L 9.64 5.13 0.00 1.48 1.62 0.98 0.31 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 0.00 166 S 9.98 4.07 0.00 3.88 4.11 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 0.00 167 E 7.92 3.75 0.00 1.16 1.12 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 1.84 2.08 0.00 168 V 7.31 4.19 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 0.86 0.00 0.00 1.08 0.00 0.00 169 D 9.13 4.70 0.00 2.68 2.62 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 0.00 170 G 9.41 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 0.00 171 I 7.01 4.59 1.85 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 1.21 0.53 0.89 0.00 0.00 172 D 8.30 5.05 0.00 2.56 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 0.00 173 Q 8.73 4.71 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 174 V 8.78 5.02 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 1.03 0.00 0.00 0.93 0.00 0.00 175 S 9.10 5.14 0.00 3.92 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 0.00 176 I 8.53 4.94 1.86 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 1.22 0.91 0.90 0.00 0.00 177 H 9.26 5.23 0.00 3.04 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.57 4.99 0.00 1.89 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 2.17 2.36 0.00 179 K 8.53 4.18 0.00 1.78 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.