NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.2044 8.1976 108.0337 46.2065 0.0000 171.8739 5 V 4.9388 7.7476 120.2239 59.8190 34.7791 174.9555 6 R 4.6761 9.2409 122.3076 54.4406 35.0727 175.3553 7 I 4.5073 8.3854 123.3043 60.4208 39.7246 174.5508 8 G 4.5554 9.0896 114.8895 44.7192 0.0000 171.0380 9 Q 5.1228 8.5008 120.7998 54.5375 33.0236 173.6300 10 G 4.3344 9.4048 111.5400 45.2955 0.0000 170.6614 11 Y 5.1542 8.2790 120.3173 56.0276 42.1039 173.5158 12 D 4.3024 7.7020 123.7546 52.7230 45.3172 173.6097 13 I 4.8427 7.6287 122.8463 59.6561 41.3984 173.8134 14 H 5.0150 9.0354 124.4613 53.7393 33.5734 172.4986 15 Q 4.7004 8.6951 122.7828 56.2518 30.0232 174.8637 16 I 5.2940 8.5695 119.3450 59.2539 40.9665 174.8270 17 R 4.7112 8.6280 120.9541 54.2412 33.3079 177.1936 18 V 3.5911 8.7259 122.1461 64.6595 32.1086 176.6153 19 G 3.8327 7.9196 108.8954 45.0679 0.0000 171.0780 20 P 4.6132 0.0000 0.0000 61.5734 32.0059 174.6058 21 P 4.4316 0.0000 0.0000 65.8179 31.0028 177.3113 22 E 4.1276 7.9079 118.2543 54.6171 27.6879 178.4404 *41 K 4.3090 7.5089 125.5456 52.0088 34.6279 174.4895 42 Q 4.9206 7.8774 118.3503 54.5010 31.5737 175.2142 43 S 4.6376 8.4271 116.0799 56.6662 67.3364 172.8863 44 F 4.9123 8.7361 120.0911 57.2801 39.4128 175.0064 45 K 4.7670 9.1039 122.5614 54.5069 36.8896 175.2757 46 R 4.2480 8.6061 120.4404 56.4561 30.3865 175.8792 47 L 4.0784 9.2690 129.0729 56.0251 43.3394 175.6350 48 T 5.0383 8.4563 121.5650 61.7452 72.0804 173.0898 49 I 4.3366 8.4055 125.7742 60.2712 40.6885 175.1082 50 G 3.3182 9.6625 115.4704 46.3783 0.0000 174.2415 51 G 3.6347 7.5896 106.3379 44.7410 0.0000 174.0644 52 V 4.1821 7.1687 120.5451 60.0933 32.6160 173.4692 53 P 4.6728 0.0000 0.0000 62.5280 32.1022 176.5573 54 V 4.2007 8.4978 122.1870 60.6760 31.7466 175.6567 55 E 4.0912 8.6489 127.4570 58.0607 29.7816 177.3164 56 T 4.4618 7.7588 106.9624 61.8012 69.5221 174.1574 57 I 4.9539 7.5512 122.2691 58.9604 41.4373 174.6539 58 S 5.4472 9.0821 122.3385 57.4157 65.4554 173.5041 59 V 4.6365 9.0556 121.7374 59.8599 34.6050 174.6085 60 L 4.0872 8.5356 127.1730 54.3976 41.9053 175.6957 61 S 4.4199 8.2617 120.4921 57.2516 66.2162 175.2513 62 H 4.3182 8.7294 117.3846 58.1791 28.7472 175.9690 63 S 4.7128 7.7816 114.9176 56.2650 65.2842 173.0757 64 D 4.3318 8.3746 119.2526 55.0572 39.0836 176.9658 65 G 3.5826 8.0792 107.9880 46.7111 0.0000 174.1708 66 D 4.7129 7.9747 121.3061 53.0129 40.8699 176.3071 67 V 3.6877 8.1950 127.5075 65.7514 31.6022 177.7283 68 I 3.7134 7.6429 119.0996 64.5399 37.1230 178.2599 69 F 4.5387 8.5481 118.6204 60.8192 38.6656 177.5568 70 H 4.1274 8.5701 115.7632 59.0100 28.5110 177.8152 71 A 4.0499 8.0397 122.4804 54.6875 18.1759 179.5507 72 L 3.8822 8.1523 119.1644 58.3501 42.2425 179.1125 73 V 3.5944 8.0563 118.5203 66.3834 31.3400 177.7576 74 D 4.3631 8.2331 118.2311 57.0681 40.5391 178.4736 75 A 4.2755 8.1736 122.9020 54.6317 18.1924 179.7611 76 L 3.8767 7.7257 115.8694 57.8677 41.9648 179.3278 77 L 4.2174 7.9105 119.0385 57.8962 41.6182 179.6959 78 G 3.7974 8.2966 105.6961 48.0039 0.0000 175.7866 79 G 3.9545 8.1799 107.0046 45.7843 0.0000 174.5880 80 M 4.1963 7.9727 118.7331 53.7202 32.2903 176.1635 81 S 3.8344 7.6605 113.9480 59.6074 61.3206 172.1974 82 C 4.6737 7.0904 117.0417 58.1248 31.3941 175.4312 83 S 4.1584 8.9352 123.1427 60.4991 61.1019 176.5152 *99 K 4.2965 9.3056 130.8609 55.0627 34.3631 177.0255 100 N 4.9272 7.9442 119.2457 53.5559 38.6792 174.9819 101 S 4.5680 9.0137 121.3632 59.1337 63.4341 175.5930 102 L 3.8438 8.0632 124.9774 58.3554 41.8778 178.5400 103 S 3.7760 7.8361 114.9368 61.7013 62.8235 176.7316 *104 F 4.2600 8.0100 119.7097 60.4229 38.2929 177.3834 105 L 3.8511 7.5364 119.5240 58.0280 41.6866 179.1937 106 R 3.8208 7.9646 118.2858 59.3071 29.8864 178.6460 107 Y 4.2947 7.5914 116.2919 60.9656 37.7950 178.2232 108 A 4.0112 8.1915 121.7504 55.3075 18.3472 179.3649 109 R 3.8554 7.9176 117.0296 59.8704 30.0022 178.7198 110 L 4.0982 7.7273 118.5532 57.5357 41.6315 178.9953 111 L 3.9922 8.6615 120.6619 58.1797 41.9951 178.7878 112 L 4.0979 8.3092 119.2128 58.1983 41.7653 178.8366 113 Y 4.0437 7.8765 118.8177 60.8981 38.5231 178.3748 114 K 3.8819 8.7325 118.1515 59.1243 32.2523 178.5605 115 R 4.2612 8.0243 115.3519 55.2293 30.6399 175.6885 116 N 4.0854 7.8786 116.4991 54.9743 37.6360 172.5695 117 Y 5.2168 8.2867 112.7612 55.7293 40.9529 175.3947 118 A 4.9389 9.1764 124.2397 50.0722 22.5752 175.6703 119 I 4.2035 8.3041 120.7781 61.2017 37.4025 175.9077 120 A 4.2804 8.9813 130.8246 54.0683 18.3264 176.9319 121 N 4.9819 7.6723 109.5045 52.3294 41.0084 172.8192 122 V 4.9431 8.8940 111.9306 59.6464 36.3058 174.5520 123 D 5.2384 9.1132 122.5440 52.6824 44.5497 174.1540 124 I 5.1148 9.1553 126.5209 59.5476 40.9861 174.4455 125 I 5.0317 9.0020 127.1220 59.5611 40.3952 174.4974 126 V 4.5921 8.8397 127.7952 61.6739 33.3683 174.5107 127 I 4.9054 8.6731 129.3513 60.1854 39.0741 174.7105 128 A 4.7363 8.7842 128.1164 50.9749 22.7802 176.5473 129 E 3.9056 9.1980 124.1054 58.7275 30.1224 177.0325 130 V 4.7345 7.2844 109.0451 58.6852 35.6178 173.4302 131 P 4.5815 0.0000 0.0000 61.6499 32.3470 176.2729 132 K 4.0132 8.4223 119.0266 57.2272 32.5856 177.3158 133 I 4.0311 8.3155 122.9891 63.6021 38.1138 177.9613 134 S 4.1225 8.3498 114.8104 61.0080 62.2003 174.3273 135 P 4.2354 0.0000 0.0000 65.1321 31.2944 177.6351 136 I 4.3077 7.4846 109.8874 60.6562 37.7325 177.4192 137 R 3.8548 7.6547 122.3604 60.0240 29.9846 178.0782 138 E 3.9515 8.2352 117.8516 59.5085 29.3654 178.9937 139 E 3.9380 8.0816 118.6498 59.2787 29.7547 178.7731 140 I 3.8746 7.8683 119.8503 64.4503 37.1492 178.4598 141 V 3.6226 7.9866 119.1565 66.1736 31.2758 178.2651 142 R 3.9412 8.2001 117.6654 59.4122 29.8048 178.7363 143 N 4.4161 8.6103 116.6483 56.3340 38.4513 177.6515 144 I 3.6371 8.3187 121.3755 64.8486 37.4377 178.0721 145 S 3.9836 8.3307 115.7108 62.0615 62.3418 176.5910 146 S 4.0423 8.3029 114.8456 61.9743 61.9982 176.7909 147 A 3.9433 7.6328 121.3428 54.2237 18.1892 178.5491 148 L 4.4035 7.5770 114.8496 53.5748 42.8113 176.3762 149 G 3.7721 7.8810 106.6832 46.8321 0.0000 172.8963 150 I 4.6508 7.6320 111.0198 58.3576 41.1629 174.7944 151 S 4.6111 8.5353 115.1246 57.0067 64.3658 175.2149 152 E 4.3094 8.9328 120.1639 58.9688 29.2824 179.3634 153 S 4.3493 8.0227 111.1703 59.9881 63.4182 174.4747 154 Q 4.3810 8.2147 120.1777 55.8645 28.9975 174.6339 155 V 4.8449 7.5492 118.4149 61.0825 33.8524 174.8806 156 S 4.9233 9.0337 123.3466 56.6837 66.4070 172.8900 157 L 5.2363 8.3995 124.3988 53.4874 45.1981 175.1543 158 K 4.6396 9.1193 126.1051 54.9889 36.1529 174.5327 159 G 4.4868 8.7483 113.6153 44.4746 0.0000 172.7147 160 K 4.9691 8.9938 123.3919 54.5084 36.2052 176.3108 161 T 5.1189 8.4892 113.6855 60.6216 70.7283 173.3654 162 H 4.7278 8.8658 118.3310 55.7208 29.8996 174.4331 163 E 3.7405 8.5480 114.5891 57.0595 27.3923 175.2034 164 Q 3.8883 8.4583 111.7925 56.2007 26.6483 173.2234 165 L 4.5053 7.9315 118.4667 53.9650 43.4256 178.1321 166 G 4.1068 8.4794 112.4425 44.1000 0.0000 172.1729 167 P 4.4447 0.0000 0.0000 65.0396 31.0343 179.0924 168 V 3.8985 7.1676 117.5910 65.5221 31.1147 178.0824 169 G 4.2023 8.1801 105.4596 47.7003 0.0000 174.5719 170 Q 4.4202 8.4444 118.4284 55.1856 28.4797 176.5688 171 K 3.8446 7.7037 118.1016 57.5933 29.9223 176.8525 172 K 4.6498 8.3636 119.2204 57.3771 33.4423 176.2297 173 A 5.2690 7.6314 120.5724 50.6863 22.7823 174.9788 174 I 4.9421 9.1073 112.5513 59.3716 41.5180 174.0774 175 E 5.1303 8.8771 121.9629 55.2454 34.6756 173.8719 176 C 5.1168 8.3841 119.8966 58.3079 35.6672 172.3738 177 F 5.3395 9.4153 124.3115 55.6861 41.3894 174.2948 178 A 5.3206 9.1434 124.8183 50.2046 22.5674 174.4471 179 N 5.6098 9.0400 117.1193 51.4532 42.8687 173.5293 180 A 5.1015 9.0607 123.2718 50.1220 23.1853 174.4434 181 L 5.0050 8.8489 123.5431 53.2948 44.4958 175.2403 182 L 5.3343 9.5903 129.1277 53.5904 45.5246 176.0141 183 I 5.0665 9.0576 121.4212 58.4392 39.0498 175.5896 184 R 4.1906 8.9434 126.8299 55.9461 30.4625 176.9238 185 K 4.2857 8.6754 124.4062 56.3717 32.9197 177.3739 186 Q 4.1791 8.3295 121.2249 56.9197 27.9154 173.8017 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 4 G 8.20 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 0.00 0.00 0.00 0.00 5 V 7.75 4.94 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 0.77 0.00 0.00 1.03 0.00 0.00 6 R 9.24 4.68 0.00 1.46 1.74 0.00 3.28 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 7 I 8.39 4.51 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 1.28 1.38 0.90 0.00 0.00 8 G 9.09 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 5.12 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 10 G 9.40 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 0.00 0.00 0.00 0.00 11 Y 8.28 5.15 0.00 2.73 2.70 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 12 D 7.70 4.30 0.00 2.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.63 4.84 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.90 0.00 0.00 14 H 9.04 5.02 0.00 2.97 2.99 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.70 4.70 0.00 2.13 1.91 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 2.62 2.71 0.00 16 I 8.57 5.29 2.02 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 1.33 1.05 0.94 0.00 0.00 17 R 8.63 4.71 0.00 1.41 1.60 0.00 2.21 0.00 0.00 2.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 18 V 8.73 3.59 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 0.76 0.00 0.00 0.92 0.00 0.00 19 G 7.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.61 0.00 2.18 2.16 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 21 P 0.00 4.43 0.00 2.22 2.19 0.00 3.36 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 22 E 7.91 4.13 0.00 2.01 1.81 0.00 0.00 0.00 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 1.86 0.00 *41 K 7.51 4.31 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 42 Q 7.88 4.92 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 43 S 8.43 4.64 0.00 3.87 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 44 F 8.74 4.91 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.10 4.77 0.00 1.76 1.88 0.00 1.28 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 46 R 8.61 4.25 0.00 1.85 1.89 0.00 3.24 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 L 9.27 4.08 0.00 1.83 1.73 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.46 5.04 4.16 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 1.08 0.00 0.00 49 I 8.41 4.34 1.80 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 1.16 1.35 0.85 0.00 0.00 50 G 9.66 3.32 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 0.00 51 G 7.59 3.63 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 0.00 0.00 0.00 52 V 7.17 4.18 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 1.10 0.00 0.00 0.97 0.00 0.00 53 P 0.00 4.67 0.00 2.06 1.94 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 54 V 8.50 4.20 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 0.96 0.00 0.00 0.90 0.00 0.00 55 E 8.65 4.09 0.00 1.94 1.95 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 2.29 2.35 0.00 56 T 7.76 4.46 4.23 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 1.20 0.00 0.00 57 I 7.55 4.95 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 1.24 1.17 1.00 0.00 0.00 58 S 9.08 5.45 0.00 3.85 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 59 V 9.06 4.64 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 0.76 0.00 0.00 0.88 0.00 0.00 60 L 8.54 4.09 0.00 0.38 1.31 0.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.26 4.42 0.00 3.67 3.35 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 62 H 8.73 4.32 0.00 3.23 3.45 0.00 5.14 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.78 4.71 0.00 4.30 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 0.00 64 D 8.37 4.33 0.00 2.78 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 65 G 8.08 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.97 4.71 0.00 2.74 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 67 V 8.20 3.69 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 0.84 0.00 0.00 0.92 0.00 0.00 68 I 7.64 3.71 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.56 1.05 0.00 0.00 69 F 8.55 4.54 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.57 4.13 0.00 3.44 3.35 0.00 5.81 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 71 A 8.04 4.05 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 72 L 8.15 3.88 0.00 1.88 1.85 0.94 0.73 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 73 V 8.06 3.59 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 0.99 0.00 0.00 0.93 0.00 0.00 74 D 8.23 4.36 0.00 2.99 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 75 A 8.17 4.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.73 3.88 0.00 1.64 1.73 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.91 4.22 0.00 1.71 1.63 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 78 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 79 G 8.18 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 80 M 7.97 4.20 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 81 S 7.66 3.83 0.00 3.98 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 82 C 7.09 4.67 0.00 3.04 2.88 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 83 S 8.94 4.16 0.00 3.86 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.31 4.30 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 100 N 7.94 4.93 0.00 2.77 2.78 0.00 0.00 6.96 7.33 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 0.00 101 S 9.01 4.57 0.00 4.13 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 0.00 102 L 8.06 3.84 0.00 2.01 1.95 0.78 1.00 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 0.00 103 S 7.84 3.78 0.00 4.08 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 *104 F 8.01 4.26 0.00 2.57 2.36 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 0.00 105 L 7.54 3.85 0.00 1.45 1.33 0.73 -0.02 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 0.00 106 R 7.96 3.82 0.00 1.66 1.76 0.00 3.10 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 107 Y 7.59 4.29 0.00 3.19 2.90 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 0.00 108 A 8.19 4.01 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 0.00 109 R 7.92 3.86 0.00 1.87 2.15 0.00 3.27 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 110 L 7.73 4.10 0.00 1.96 1.79 1.00 0.47 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 0.00 111 L 8.66 3.99 0.00 1.85 1.73 0.95 0.80 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 0.00 112 L 8.31 4.10 0.00 1.97 2.01 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.88 4.04 0.00 3.09 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 0.00 114 K 8.73 3.88 0.00 1.91 1.89 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.89 1.73 7.81 115 R 8.02 4.26 0.00 1.97 2.10 0.00 3.31 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 116 N 7.88 4.09 0.00 2.69 2.54 0.00 0.00 6.95 7.09 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 0.00 117 Y 8.29 5.22 0.00 2.86 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 0.00 118 A 9.18 4.94 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 0.00 119 I 8.30 4.20 1.89 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 1.29 0.61 0.94 0.00 0.00 120 A 8.98 4.28 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 0.00 121 N 7.67 4.98 0.00 2.91 2.91 0.00 0.00 5.83 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 0.00 122 V 8.89 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 0.69 0.00 0.00 0.95 0.00 0.00 123 D 9.11 5.24 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.16 5.11 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.96 0.00 0.00 125 I 9.00 5.03 2.02 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 1.16 0.80 0.98 0.00 0.00 126 V 8.84 4.59 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 1.04 0.00 0.00 0.94 0.00 0.00 127 I 8.67 4.91 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 1.07 0.00 0.00 128 A 8.78 4.74 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 0.00 129 E 9.20 3.91 0.00 2.28 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 2.63 2.41 0.00 130 V 7.28 4.73 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 0.83 0.00 0.00 0.94 0.00 0.00 131 P 0.00 4.58 0.00 2.17 2.03 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 132 K 8.42 4.01 0.00 1.75 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.54 7.81 133 I 8.32 4.03 1.88 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 1.31 1.31 0.92 0.00 0.00 134 S 8.35 4.12 0.00 3.85 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 0.00 135 P 0.00 4.24 0.00 2.07 2.11 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 136 I 7.48 4.31 1.86 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 1.40 0.89 0.90 0.00 0.00 137 R 7.65 3.85 0.00 2.01 2.06 0.00 3.12 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 1.64 1.69 0.00 138 E 8.24 3.95 0.00 2.05 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 2.41 2.39 0.00 139 E 8.08 3.94 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 140 I 7.87 3.87 2.01 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 1.37 0.76 0.96 0.00 0.00 141 V 7.99 3.62 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 1.12 0.00 0.00 1.01 0.00 0.00 142 R 8.20 3.94 0.00 2.14 1.98 0.00 3.19 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 1.74 1.69 0.00 143 N 8.61 4.42 0.00 3.15 3.16 0.00 0.00 7.08 6.87 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 0.00 144 I 8.32 3.64 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.91 0.00 0.00 145 S 8.33 3.98 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.30 4.04 0.00 4.17 3.87 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 0.00 147 A 7.63 3.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.58 4.40 0.00 1.56 1.69 0.86 1.36 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 0.00 149 G 7.88 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 0.00 0.00 0.00 150 I 7.63 4.65 2.09 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 1.48 0.78 0.97 0.00 0.00 151 S 8.54 4.61 0.00 4.05 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 0.00 152 E 8.93 4.31 0.00 2.06 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 0.00 2.41 2.28 0.00 153 S 8.02 4.35 0.00 3.98 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 0.00 154 Q 8.21 4.38 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 155 V 7.55 4.84 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 0.82 0.00 0.00 1.00 0.00 0.00 156 S 9.03 4.92 0.00 3.92 3.71 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 0.00 157 L 8.40 5.24 0.00 1.60 1.49 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 158 K 9.12 4.64 0.00 1.91 1.59 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.46 7.81 159 G 8.75 4.49 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 0.00 160 K 8.99 4.97 0.00 1.67 1.68 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.51 7.81 161 T 8.49 5.12 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 1.23 0.00 0.00 162 H 8.87 4.73 0.00 3.19 3.38 0.00 5.82 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 0.00 163 E 8.55 3.74 0.00 2.05 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 2.23 2.38 0.00 164 Q 8.46 3.89 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 165 L 7.93 4.51 0.00 1.90 1.61 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.48 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 0.00 0.00 0.00 167 P 0.00 4.44 0.00 2.17 2.16 0.00 3.89 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 2.14 2.05 0.00 168 V 7.17 3.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.94 0.00 0.00 169 G 8.18 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 0.00 0.00 0.00 0.00 170 Q 8.44 4.42 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.99 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 171 K 7.70 3.84 0.00 1.95 1.95 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 172 K 8.36 4.65 0.00 1.76 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.55 7.81 173 A 7.63 5.27 1.20 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 0.00 0.00 0.00 174 I 9.11 4.94 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.95 0.00 0.00 175 E 8.88 5.13 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 176 C 8.38 5.12 0.00 2.87 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 0.00 177 F 9.42 5.34 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.14 5.32 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 0.00 179 N 9.04 5.61 0.00 2.89 2.69 0.00 0.00 6.60 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 0.00 180 A 9.06 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.85 5.00 0.00 1.76 1.52 0.92 0.55 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 0.00 182 L 9.59 5.33 0.00 1.33 1.61 0.54 0.55 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 0.00 183 I 9.06 5.07 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 1.23 0.87 0.91 0.00 0.00 184 R 8.94 4.19 0.00 1.82 1.85 0.00 3.05 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 185 K 8.68 4.29 0.00 1.81 1.70 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 186 Q 8.33 4.18 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.