NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7924 8.4401 120.3923 55.1702 31.0127 175.1614 2 A 4.2564 7.7812 118.4496 52.2820 20.8016 175.3452 3 G 3.9392 9.0656 113.2050 45.2316 0.0000 169.2072 4 R 4.6336 8.1093 114.1998 56.1500 31.5440 176.8162 5 T 4.1002 8.1450 109.6789 62.1432 69.9079 175.6790 6 G 3.5594 7.5709 108.1723 45.1723 0.0000 172.5499 7 Y 3.7816 6.2988 116.6758 57.2076 38.0566 175.8216 8 D 4.8871 8.4076 122.2343 52.1113 43.4885 175.8975 9 N 4.4858 9.1733 124.7955 56.9304 38.5237 177.4888 10 R 4.0255 8.1284 118.7064 59.0938 30.2885 178.3144 11 E 3.9453 8.1527 118.5570 59.4289 29.7611 178.2672 12 I 3.8705 8.0122 118.9089 64.4144 38.0507 178.1356 13 V 3.6395 7.6856 118.9859 64.7086 31.3423 178.3051 14 M 4.4492 8.3156 118.0091 58.0532 31.0955 178.6442 15 K 4.0482 8.5602 120.9662 59.3940 32.3621 178.0722 16 Y 4.1698 8.0446 119.8385 61.0072 38.7164 178.1306 17 I 3.4561 8.0830 119.3972 64.0906 38.0147 177.2344 18 H 4.6381 8.4426 119.3843 59.5982 29.6237 176.6747 19 Y 4.1373 8.3115 121.4032 60.4949 38.3849 177.8140 20 K 3.7733 7.4836 118.6104 59.5654 32.3850 178.9731 21 L 4.0962 7.7571 118.9443 57.4761 41.5473 179.3661 22 S 4.1112 7.9510 114.4596 61.7261 62.4183 176.2719 23 Q 3.8031 7.4187 121.7891 58.9030 28.6939 178.0897 24 R 4.2003 7.9304 118.4072 56.7501 30.3616 177.1234 25 G 3.9999 7.9180 105.8130 45.1396 0.0000 172.7691 26 Y 4.1797 7.7815 117.6794 57.6495 38.3913 176.9967 27 E 4.3442 8.4463 128.0490 54.6814 27.6403 176.5102 28 W 4.4920 8.2422 127.6766 58.1840 31.7805 176.7810 29 D 4.4451 8.6227 127.9735 54.1079 37.4519 175.3347 30 A 2.8052 6.0253 123.8469 53.8287 20.0384 179.4635 31 G 3.7642 7.1358 103.0187 43.7554 0.0000 173.2057 32 D 4.2397 7.8142 120.6263 57.6540 42.2602 176.7735 33 D 4.5997 7.2237 119.0099 53.2110 40.1392 178.3719 34 V 4.0383 7.1237 123.1140 60.8194 30.4744 176.4133 35 E 4.5009 7.8275 118.2185 56.4009 30.3404 175.6991 36 E 3.4628 8.2290 123.1025 57.3422 26.9409 171.3898 37 N 4.7131 8.1832 118.9557 51.1990 38.5591 174.8642 38 R 3.9904 8.0709 124.0946 56.8833 30.6152 176.7824 39 T 3.6597 8.0137 117.5065 63.7825 67.0204 173.9384 40 E 4.4608 7.5248 120.8779 55.3315 30.2232 173.3936 41 A 3.9113 7.6885 122.2940 50.1721 18.9717 177.3304 42 P 4.3411 0.0000 0.0000 64.9522 31.8381 176.9453 43 E 3.8983 8.1768 118.2717 57.2810 30.1396 178.2967 44 G 4.2734 8.4558 114.8319 43.6652 0.0000 173.9361 45 T 3.8504 8.1262 109.7875 64.7823 68.5913 175.1429 46 E 4.0113 7.8383 120.8254 59.5139 29.9707 177.8128 47 S 4.4397 7.8331 111.4918 59.4953 64.0041 176.0794 48 E 3.9489 8.3455 122.4620 59.4971 29.6797 178.9852 *89 V 4.1018 7.7442 117.2554 63.0090 33.3568 177.6673 90 V 3.9592 7.6558 113.7503 63.8913 31.4664 177.9591 91 H 4.4172 8.2787 116.2844 59.0142 28.4787 177.7995 92 L 4.0761 7.8998 120.6846 58.0761 41.1693 179.4608 93 T 4.0112 7.7503 115.7277 66.8993 68.1703 176.6760 94 L 4.2408 9.1046 121.1335 57.7424 41.6868 179.5902 95 R 4.3435 8.4038 118.6705 59.9268 30.1247 178.7438 96 Q 4.1844 9.1643 118.0455 58.4951 28.5215 178.1869 97 A 4.2541 8.6596 122.8039 55.4631 18.3259 179.9434 98 G 3.7741 8.0575 103.6247 47.9438 0.0000 175.1378 99 D 4.6218 7.8534 121.3836 56.8385 40.9526 178.2617 100 D 4.5106 8.4630 119.1603 57.2309 40.6478 178.8524 101 F 4.4669 8.1772 121.6299 61.4569 39.3680 177.3456 102 S 4.4935 8.5809 115.6264 61.1030 62.3394 176.4883 103 R 3.9540 7.9241 121.0904 58.8720 29.8418 178.4579 104 R 4.1660 7.4716 116.1492 57.9468 31.3204 177.4021 105 Y 4.3103 7.8879 118.5847 55.7556 36.9056 175.6952 106 R 4.4596 7.5362 123.0684 55.0808 30.5479 178.0809 107 R 4.3165 6.6327 111.3230 56.5873 29.3019 174.5537 108 D 4.6660 6.9017 116.2309 56.4214 44.3493 178.1889 109 F 4.3044 7.0868 114.3586 59.7704 38.1180 177.4397 110 A 4.1143 7.1419 120.3698 55.0158 18.3874 179.1159 111 E 4.0236 7.9244 116.7420 59.8293 29.7382 179.0999 112 M 3.9915 7.6833 116.3731 58.5327 30.7761 178.1617 113 S 4.1176 8.0558 113.9443 61.6891 61.8862 176.2095 114 S 4.1233 8.3465 115.6731 61.3078 61.8408 175.9575 115 Q 3.9966 8.0770 121.9783 58.9263 28.8317 177.5219 116 L 4.0125 7.3196 119.5968 57.2662 42.0433 177.8964 117 H 4.1910 8.0497 116.2069 55.0651 29.8936 172.9335 118 L 4.6269 7.9348 117.9894 54.0183 44.2694 175.9711 119 T 4.1407 7.7455 117.3050 61.0522 69.6297 171.8177 120 P 4.3086 0.0000 0.0000 65.5605 30.7903 178.7528 121 F 4.3304 7.7898 116.7695 61.0189 39.1083 177.8558 122 T 4.2552 8.0901 116.4895 65.9650 68.3187 176.5027 123 A 4.0082 7.8821 123.1769 55.4287 17.1627 179.9285 124 R 3.0776 7.4651 114.2580 58.9370 28.9038 179.0891 125 G 3.8414 7.4703 105.6897 46.9828 0.0000 176.0990 126 R 4.0313 8.8260 121.2824 58.7599 30.0746 178.5736 127 F 4.3236 8.0509 119.9538 61.5282 39.4195 177.0744 128 A 3.5618 7.5236 120.3906 55.4148 17.9338 179.7626 129 T 3.8126 7.3256 112.5932 66.3345 68.7006 177.0482 130 V 3.3662 7.3764 120.3282 65.8998 31.5293 178.3564 131 V 2.9265 6.8938 111.9923 64.2365 30.8051 177.9158 132 E 4.0519 7.7891 119.0741 59.5799 29.1071 178.8161 133 E 3.7309 7.6966 116.3725 58.7829 29.8752 178.2302 134 L 3.8124 7.2019 121.2045 56.2376 42.7318 176.6828 135 F 4.6860 6.8849 112.7546 54.9100 37.9480 174.7044 136 R 4.0517 8.3497 127.1812 59.8507 30.1424 177.5916 137 D 4.4593 7.6550 116.0279 55.5183 41.7841 176.4218 138 G 4.1411 7.3285 106.3193 44.3369 0.0000 171.3888 139 V 3.8449 7.3996 118.5036 61.3882 33.1717 174.2618 140 N 3.1400 7.1591 118.3779 50.2686 41.1125 175.1472 141 W 4.3060 7.8151 122.0498 59.9364 27.4082 178.8756 142 G 3.6044 7.6045 105.1802 47.8286 0.0000 175.5385 143 R 3.8420 7.7444 121.0254 58.5364 30.0207 178.8421 144 I 3.5759 7.4762 112.4664 64.2851 36.8146 178.2218 145 V 2.9775 6.8921 113.3542 64.1710 31.2965 178.3713 146 A 3.3064 7.4741 120.1245 54.2991 17.7234 179.2976 147 F 3.8258 8.0175 119.9553 61.6021 39.5729 177.1998 148 F 4.4173 8.2568 116.6446 60.8227 38.2049 177.1266 149 E 4.5153 7.7271 119.0232 58.8288 29.2716 178.9662 150 F 4.5106 8.2725 120.5529 61.5749 39.2683 177.1933 151 G 3.6931 7.8926 104.7521 48.0325 0.0000 175.7210 152 G 3.5045 8.1729 108.1662 47.2114 0.0000 175.9969 153 V 3.6032 8.2242 120.9097 66.1480 31.3991 177.8988 154 M 4.0137 8.1459 117.1882 58.2962 32.4041 177.4541 155 C 4.0704 8.5064 119.5014 62.6705 31.7588 176.0370 156 V 3.5213 7.6613 113.8273 64.3462 30.2193 178.1984 157 E 3.9744 7.8437 118.2648 59.7723 29.2861 179.7768 158 S 4.1993 7.9528 114.6397 61.4974 62.7482 176.8285 159 V 3.5613 7.5163 119.4454 65.8594 31.3090 176.8572 160 N 4.2983 8.2603 116.5846 57.1779 38.7218 175.5258 161 R 4.2207 7.3761 115.6674 54.9303 30.4420 175.5822 162 E 5.3613 7.1764 119.3073 57.4606 32.0241 176.8379 163 M 4.8566 7.6230 114.7836 55.1930 33.1756 177.6168 164 S 4.1434 8.3527 115.9821 61.4351 63.0080 172.8603 165 P 4.4170 0.0000 0.0000 65.8114 30.9558 178.0763 166 L 4.0169 7.8450 118.5378 58.0813 41.5361 178.8998 167 V 3.3610 8.0537 118.7652 66.2432 30.9196 177.5585 168 D 4.7532 8.2478 116.8033 57.3192 41.4900 177.6301 169 N 4.3128 8.3284 117.1525 56.2978 38.5092 177.1550 170 I 3.6968 7.9086 120.4239 64.6398 37.2143 178.0441 171 A 4.0291 7.7018 120.9000 55.1687 17.8134 179.6814 172 L 3.8737 7.7012 117.2640 57.8914 41.6687 179.8154 173 W 4.4400 7.9231 118.2554 59.6358 28.9577 178.4933 174 M 4.7219 8.3267 119.2417 59.0096 31.5244 178.6875 175 T 3.9955 8.1795 113.1942 65.0290 67.3709 176.0520 176 E 4.0340 8.1160 119.3447 59.8943 29.4903 179.0303 177 Y 4.0648 8.6265 116.7707 60.9263 37.8987 178.2439 178 L 3.7699 8.6680 121.7618 57.9603 41.9813 178.3387 179 N 4.0523 8.6376 116.2685 55.7958 39.0956 176.1738 180 R 4.2346 8.2238 118.4409 57.8604 30.6974 175.1062 181 H 4.5922 8.0916 116.4567 57.3017 32.2417 174.7891 182 L 3.9081 7.9071 118.2476 58.1884 41.5815 178.7933 183 H 4.1757 9.0554 119.0577 59.9274 29.8844 177.0596 184 T 3.9226 8.0725 110.7529 64.5934 68.6518 176.0490 185 W 3.9586 8.1670 131.2474 59.9597 30.5936 178.1823 186 I 3.8403 8.7370 114.0257 64.1399 36.9758 178.0252 187 Q 4.0396 8.3698 119.5764 58.7751 28.6642 178.6108 188 D 4.3983 7.7548 118.1529 55.1368 40.8609 177.2844 189 N 4.4944 7.4636 120.1181 52.6606 35.5117 172.5797 190 G 3.9096 7.6185 114.4483 43.5576 0.0000 175.9841 191 G 3.8566 7.3763 107.2592 44.0404 0.0000 173.1211 192 W 3.9574 8.7094 119.3376 59.9422 29.0339 177.8715 193 D 4.4584 8.4839 118.1094 57.1030 40.0496 178.7789 194 A 3.8535 7.7891 121.6426 55.0252 18.3588 179.0737 195 F 3.9696 7.7949 119.2757 61.5486 39.2045 177.6811 196 V 2.8297 7.4821 116.5836 64.6745 31.1930 177.6464 197 E 3.9874 7.9869 118.4567 58.8328 29.3726 178.8321 198 L 3.8779 8.1242 120.0807 57.2843 43.4224 177.2687 199 Y 4.9109 7.6752 115.6292 57.0849 37.1733 176.6677 200 G 3.7150 8.1826 102.2684 47.9384 0.0000 169.6439 201 P 3.6623 0.0000 0.0000 57.1747 34.7768 175.2431 202 S 3.9058 8.4640 113.0572 60.2319 61.7375 171.2479 203 M 3.2257 8.1739 128.4669 55.7986 30.7491 176.9085 204 R 4.1483 7.8888 121.7132 56.6757 29.9566 176.8272 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 H 8.44 4.79 0.00 3.09 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.78 4.26 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 3 G 9.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.11 4.63 0.00 1.71 1.83 0.00 3.18 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 5 T 8.14 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 6 G 7.57 3.56 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 7 Y 6.30 3.78 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.41 4.89 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 9.17 4.49 0.00 2.89 3.05 0.00 0.00 7.24 7.83 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 10 R 8.13 4.03 0.00 1.89 2.01 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 11 E 8.15 3.95 0.00 2.06 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 2.44 2.40 0.00 12 I 8.01 3.87 2.20 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 1.75 2.02 1.31 0.00 0.00 13 V 7.69 3.64 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 1.05 0.00 0.00 1.01 0.00 0.00 14 M 8.32 4.45 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 15 K 8.56 4.05 0.00 2.05 1.89 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.43 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 16 Y 8.04 4.17 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.08 3.46 2.12 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 1.13 1.14 0.46 0.00 0.00 18 H 8.44 4.64 0.00 3.91 3.76 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.31 4.14 0.00 3.18 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 20 K 7.48 3.77 0.00 1.55 1.68 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.08 7.81 21 L 7.76 4.10 0.00 1.91 1.82 0.68 1.05 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 22 S 7.95 4.11 0.00 4.02 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 0.00 23 Q 7.42 3.80 0.00 1.83 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 24 R 7.93 4.20 0.00 1.80 1.90 0.00 3.26 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 25 G 7.92 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 26 Y 7.78 4.18 0.00 2.89 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.45 4.34 0.00 1.93 1.93 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 2.31 2.23 0.00 28 W 8.24 4.49 0.00 3.26 3.28 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 29 D 8.62 4.45 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 6.03 2.81 -0.27 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 31 G 7.14 3.76 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 0.00 0.00 0.00 32 D 7.81 4.24 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 33 D 7.22 4.60 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.12 4.04 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 0.71 0.00 0.00 0.89 0.00 0.00 35 E 7.83 4.50 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 2.34 2.17 0.00 36 E 8.23 3.46 0.00 2.09 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 2.18 2.29 0.00 37 N 8.18 4.71 0.00 2.68 2.73 0.00 0.00 7.09 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.07 3.99 0.00 1.82 1.83 0.00 3.27 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 39 T 8.01 3.66 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 40 E 7.52 4.46 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 41 A 7.69 3.91 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 42 P 0.00 4.34 0.00 2.19 2.19 0.00 3.80 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 1.99 1.98 0.00 43 E 8.18 3.90 0.00 1.97 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 2.33 2.35 0.00 44 G 8.46 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 0.00 0.00 0.00 0.00 45 T 8.13 3.85 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 1.22 0.00 0.00 46 E 7.84 4.01 0.00 1.96 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 2.31 2.38 0.00 47 S 7.83 4.44 0.00 3.89 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 48 E 8.35 3.95 0.00 2.27 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 0.00 2.39 2.43 0.00 *89 V 7.74 4.10 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 1.10 0.00 0.00 1.07 0.00 0.00 90 V 7.66 3.96 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.19 0.00 0.00 91 H 8.28 4.42 0.00 3.44 3.41 0.00 5.61 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.46 4.51 0.00 3.01 2.84 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 0.00 101 F 8.18 4.47 0.00 3.08 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 0.00 102 S 8.58 4.49 0.00 4.25 4.42 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 0.00 0.00 0.00 0.00 103 R 7.92 3.95 0.00 1.92 2.22 0.00 3.29 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 104 R 7.47 4.17 0.00 2.17 1.80 0.00 3.20 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 1.71 1.89 0.00 105 Y 7.89 4.31 0.00 2.44 2.83 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 0.00 106 R 7.54 4.46 0.00 1.82 1.93 0.00 3.01 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 107 R 6.63 4.32 0.00 1.59 1.85 0.00 2.93 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 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1.76 1.81 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.05 4.19 0.00 3.31 3.39 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.93 4.63 0.00 1.54 1.51 0.89 0.73 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 0.00 119 T 7.75 4.14 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 1.29 0.00 0.00 120 P 0.00 4.31 0.00 1.98 2.15 0.00 3.63 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 1.42 1.71 0.00 121 F 7.79 4.33 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.09 4.26 4.30 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 1.25 0.00 0.00 123 A 7.88 4.01 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 0.00 124 R 7.47 3.08 0.00 0.67 1.95 0.00 2.99 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 125 G 7.47 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 0.00 126 R 8.83 4.03 0.00 2.03 2.05 0.00 3.34 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 127 F 8.05 4.32 0.00 2.96 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 0.00 128 A 7.52 3.56 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.33 3.81 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 1.15 0.00 0.00 130 V 7.38 3.37 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.81 0.00 0.00 131 V 6.89 2.93 1.65 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 -0.21 0.00 0.00 -0.54 0.00 0.00 132 E 7.79 4.05 0.00 2.21 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 2.42 2.52 0.00 133 E 7.70 3.73 0.00 2.02 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 0.00 2.03 2.20 0.00 134 L 7.20 3.81 0.00 0.85 0.13 0.08 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 135 F 6.88 4.69 0.00 2.68 2.84 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 0.00 136 R 8.35 4.05 0.00 1.79 2.00 0.00 3.37 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 137 D 7.66 4.46 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.33 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 0.00 0.00 0.00 0.00 139 V 7.40 3.84 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 0.00 0.00 0.22 0.00 0.00 0.57 0.00 0.00 140 N 7.16 3.14 0.00 2.12 1.97 0.00 0.00 6.36 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 7.82 4.31 0.00 3.49 3.50 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 0.00 0.00 0.00 0.00 142 G 7.60 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 0.00 143 R 7.74 3.84 0.00 1.62 1.71 0.00 3.13 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 144 I 7.48 3.58 1.47 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.68 0.00 0.00 145 V 6.89 2.98 1.74 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 0.65 0.00 0.00 0.45 0.00 0.00 146 A 7.47 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.02 3.83 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.26 4.42 0.00 2.66 1.52 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 0.00 149 E 7.73 4.52 0.00 2.12 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 2.50 2.49 0.00 150 F 8.27 4.51 0.00 2.84 3.07 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 0.00 151 G 7.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.17 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.22 3.60 2.37 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 1.11 0.00 0.00 0.91 0.00 0.00 154 M 8.15 4.01 0.00 1.69 1.66 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 155 C 8.51 4.07 0.00 2.78 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.66 3.52 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 0.60 0.00 0.00 0.96 0.00 0.00 157 E 7.84 3.97 0.00 2.07 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 2.50 2.54 0.00 158 S 7.95 4.20 0.00 4.04 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 0.00 159 V 7.52 3.56 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 0.29 0.00 0.00 0.85 0.00 0.00 160 N 8.26 4.30 0.00 2.64 3.07 0.00 0.00 7.31 7.27 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 0.00 161 R 7.38 4.22 0.00 1.80 1.79 0.00 3.32 0.00 0.00 3.26 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 162 E 7.18 5.36 0.00 2.06 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 2.02 2.15 0.00 163 M 7.62 4.86 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 164 S 8.35 4.14 0.00 4.07 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 0.00 165 P 0.00 4.42 0.00 2.24 2.17 0.00 3.63 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 2.16 2.22 0.00 166 L 7.84 4.02 0.00 1.82 1.81 0.98 0.61 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 0.00 167 V 8.05 3.36 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 -0.28 0.00 0.00 0.79 0.00 0.00 168 D 8.25 4.75 0.00 3.15 2.81 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 0.00 0.00 0.00 169 N 8.33 4.31 0.00 3.01 3.12 0.00 0.00 7.04 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.91 3.70 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.70 0.00 0.00 171 A 7.70 4.03 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 0.00 172 L 7.70 3.87 0.00 1.61 1.22 0.80 0.79 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 0.00 173 W 7.92 4.44 0.00 3.13 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 0.00 174 M 8.33 4.72 0.00 2.38 2.47 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.02 0.00 175 T 8.18 4.00 4.35 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 1.37 0.00 0.00 176 E 8.12 4.03 0.00 2.62 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 0.00 2.40 2.65 0.00 177 Y 8.63 4.06 0.00 3.81 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 0.00 178 L 8.67 3.77 0.00 1.45 1.90 0.60 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.64 4.05 0.00 2.78 3.08 0.00 0.00 7.12 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 0.00 180 R 8.22 4.23 0.00 1.95 1.84 0.00 3.19 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 181 H 8.09 4.59 0.00 3.15 2.86 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.91 3.91 0.00 1.72 1.64 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 183 H 9.06 4.18 0.00 3.33 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.07 3.92 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 1.27 0.00 0.00 185 W 8.17 3.96 0.00 3.55 3.29 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 0.00 186 I 8.74 3.84 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.87 0.00 0.00 187 Q 8.37 4.04 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 188 D 7.75 4.40 0.00 2.74 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 0.00 189 N 7.46 4.49 0.00 1.95 2.47 0.00 0.00 7.10 7.95 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 0.00 190 G 7.62 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 7.38 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 0.00 0.00 0.00 192 W 8.71 3.96 0.00 3.07 3.28 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 0.00 193 D 8.48 4.46 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.79 3.85 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 0.00 195 F 7.79 3.97 0.00 2.89 3.13 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 0.00 196 V 7.48 2.83 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 0.98 0.00 0.00 0.85 0.00 0.00 197 E 7.99 3.99 0.00 2.10 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 2.33 2.42 0.00 198 L 8.12 3.88 0.00 1.24 0.67 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 7.68 4.91 0.00 2.64 2.67 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 0.00 200 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 P 0.00 3.66 0.00 2.09 2.07 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 202 S 8.46 3.91 0.00 3.83 3.81 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 0.00 0.00 0.00 203 M 8.17 3.23 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 204 R 7.89 4.15 0.00 1.90 1.91 0.00 3.13 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.