NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *24 S 4.5572 8.4345 117.0994 55.3391 66.8564 177.2886 *25 Q 4.6743 8.8889 125.0021 54.8703 30.9564 177.6274 26 G 3.6581 9.2667 105.9077 47.5847 0.0000 175.8735 27 K 4.5275 8.7997 131.4165 55.2159 33.8536 174.9130 *28 E 4.8430 8.1955 125.8400 55.1839 29.2709 173.5394 29 G 4.2159 8.5557 109.2631 42.9173 0.0000 173.7290 30 G 3.9933 8.4784 110.8609 45.5350 0.0000 175.0379 31 R 4.6167 7.9111 115.6986 55.0992 30.8934 175.8089 32 D 4.8860 7.8246 114.9530 52.1276 40.7897 175.7382 33 T 4.0582 7.7350 111.0688 61.4255 70.7306 173.0656 34 P 4.2400 0.0000 0.0000 65.8107 31.2392 178.9120 35 A 3.7497 7.8828 119.0141 55.1334 18.2896 179.7079 36 V 3.4452 7.4437 116.9456 65.7844 31.4235 178.1200 37 K 3.8772 8.1274 119.4563 59.4395 32.0216 178.7290 38 K 3.9042 8.2297 120.0750 59.3235 32.0264 178.4940 39 F 4.5019 8.3265 122.5976 60.8564 39.1361 177.0144 40 L 3.7833 7.8929 116.5182 56.6421 41.4307 178.5070 41 E 4.2715 7.4587 118.4398 57.7766 30.0866 176.9155 42 T 4.3562 7.7464 104.6174 60.1561 70.0844 174.8714 43 G 3.4801 8.2052 110.8384 45.2909 0.0000 173.4860 44 E 4.0389 7.8010 121.1737 55.7257 30.5302 175.1876 45 N 4.8270 8.4580 124.3651 51.5896 38.6284 175.0063 46 L 4.1466 8.0942 125.8786 57.1625 42.1304 178.1506 47 Y 4.6978 7.6425 115.2153 58.7735 38.4186 175.4005 48 I 4.0121 7.4653 121.4886 62.9428 37.4633 175.7227 49 D 4.4441 8.9351 122.6702 55.1294 38.6078 173.4976 50 D 4.6828 8.1157 120.1220 53.0364 41.9015 176.6839 51 K 3.9519 8.8043 127.9707 59.8110 32.0518 179.2609 52 S 4.1030 8.2675 114.3521 61.7207 62.9453 176.0171 53 C 4.1380 8.2479 119.7252 59.4197 40.1227 175.8592 54 L 4.1898 8.3780 121.1541 57.8137 40.7374 179.6443 55 R 3.6947 8.0748 118.0042 59.2798 29.9603 178.9061 56 N 4.3396 7.9090 115.8629 56.3129 38.6032 177.6605 57 G 3.7505 8.4097 107.5119 47.8003 0.0000 175.1903 58 E 2.5400 7.6490 121.5593 58.6042 29.2546 179.2525 59 S 4.0273 7.4080 114.3488 61.5543 63.0510 176.6279 60 L 3.9811 8.1904 122.1167 57.7718 41.2719 179.3536 61 F 4.1303 8.8506 120.7605 61.0219 39.0795 176.8292 62 A 4.0507 7.9204 120.8659 54.8122 18.3900 179.3570 63 T 4.0836 7.4920 105.0800 63.2963 69.3338 175.9440 64 S 4.6094 7.6837 116.0269 58.9098 64.7726 174.5119 65 C 4.5692 7.3325 116.6402 60.5052 30.4935 176.1744 66 S 4.1424 7.5523 114.5099 60.9715 62.5638 176.7093 67 G 3.7313 8.0102 108.9975 47.7808 0.0000 173.6093 68 C 4.6283 7.9880 115.7171 60.2520 30.6781 174.7817 69 H 4.6225 8.4963 115.0189 55.2794 29.2251 175.8381 70 G 4.3314 8.3969 106.5615 45.7273 0.0000 174.0228 71 H 4.3040 8.9303 120.5161 58.7271 28.7382 176.0750 72 L 4.4256 8.7238 117.2673 53.8807 41.8754 176.4666 73 A 4.3609 8.4222 120.3191 53.2991 16.4408 180.0164 74 E 4.1691 7.6492 118.1424 58.5118 30.2569 177.5736 75 G 4.1954 9.2354 108.0169 45.4661 0.0000 171.1829 76 K 4.5870 9.0617 124.8964 56.7734 38.3805 177.0460 77 L 4.1270 9.2613 116.3410 56.8468 42.9921 177.2960 78 G 4.1298 8.4674 106.3411 43.6208 0.0000 171.6642 79 P 4.9120 0.0000 0.0000 62.2364 32.4321 176.1574 80 G 3.7573 8.5400 108.0877 46.0701 0.0000 173.6390 81 L 4.2200 8.8110 124.2991 54.3948 42.2312 176.5412 82 N 4.8772 7.8246 115.8126 52.2585 37.4924 173.5051 83 D 5.4081 7.4536 117.9802 52.1064 42.4178 174.8014 84 N 5.2095 8.8676 114.8706 53.0392 37.4636 173.5620 85 Y 4.7665 7.7443 119.5755 55.8400 40.4966 174.9855 86 W 4.6251 7.6310 125.7231 54.8186 32.5895 175.4737 87 T 3.5690 8.4997 120.2020 65.7727 68.1759 173.6589 88 Y 4.6227 7.5092 119.5681 55.0548 38.8410 174.1895 89 P 4.2215 0.0000 0.0000 65.1759 31.4023 178.1945 90 S 4.0663 8.1699 111.5946 61.0530 62.2725 174.8407 91 N 4.4665 8.2337 117.7860 54.1959 38.0572 176.1773 92 T 3.5759 7.4289 111.5699 61.6794 69.8004 174.3024 93 T 4.7480 6.7070 111.8816 59.5599 71.7198 174.7860 94 D 4.4290 8.6368 122.6694 57.5484 40.7560 179.5125 95 V 4.0008 7.9547 112.9728 64.2601 31.5843 178.6660 96 G 4.1007 8.0317 106.8478 47.2468 0.0000 175.5540 97 L 4.4803 7.9434 124.4155 57.2036 42.0685 178.7764 98 F 3.9554 8.6637 120.6420 61.3820 39.4019 176.9497 99 A 4.1710 8.5711 120.5876 55.4282 17.8969 179.6642 100 T 3.7972 7.8149 113.4371 66.8957 68.7273 176.6408 101 I 3.8959 7.5322 121.2117 64.5094 37.0915 178.6214 102 F 4.0794 8.4080 117.0667 59.1369 38.6352 176.4669 103 G 4.1584 7.8754 105.7358 45.0563 0.0000 174.5177 104 G 3.5494 8.2982 110.7996 48.4412 0.0000 174.8117 105 A 3.6980 7.4617 122.6011 52.8825 15.9867 175.0958 106 N 4.2134 8.3735 113.6063 54.5239 36.8660 174.9355 107 G 4.2361 7.5977 112.3920 45.6235 0.0000 171.4220 108 M 4.8153 8.9074 120.3962 55.5568 34.1509 174.4651 109 M 4.4053 7.9668 116.6406 55.1815 32.7155 174.5840 110 G 3.8571 8.0995 104.8150 43.6725 0.0000 173.6751 111 P 4.5203 0.0000 0.0000 61.3179 29.9191 174.4859 112 H 4.9960 7.7492 118.4024 54.6328 31.5504 173.8612 113 N 4.8825 8.3646 120.3615 50.9951 41.5675 174.3046 114 E 3.7065 8.5119 122.6851 56.0779 28.5881 175.5711 115 N 4.8080 8.2799 122.5389 52.0518 39.4071 174.7230 116 L 4.7607 7.4067 118.2754 53.2063 43.8348 176.7008 117 T 4.3972 8.9382 112.6024 60.7687 71.0072 174.0578 118 P 4.4514 0.0000 0.0000 66.0569 31.3205 178.5028 119 D 4.4351 8.3855 116.7429 57.4582 41.0920 178.1622 120 E 4.0848 8.3623 119.1415 59.4903 29.3440 178.9505 121 M 4.1160 8.4688 118.6825 58.7152 32.2892 178.3291 122 L 3.9190 8.0508 119.1541 57.7737 41.7101 179.5629 123 Q 4.1628 8.1277 117.8628 59.2314 28.5929 178.8033 124 T 4.0548 8.3113 117.0049 66.7803 68.4502 176.8675 125 I 3.7049 8.2947 121.9401 64.2820 37.1219 178.2712 126 A 4.0250 8.3184 121.7530 54.9459 18.1834 179.5630 127 W 4.1212 8.2420 126.8521 60.6242 30.5855 178.2993 128 I 3.2444 7.7289 118.8934 64.3855 36.8365 178.3201 129 R 3.5761 7.9778 118.9781 59.2974 29.5919 178.6105 130 H 4.2580 7.6427 117.1041 58.7393 29.8829 176.6671 131 L 3.2861 6.8536 118.8796 54.6819 42.0059 176.6841 132 Y 4.5527 7.3384 121.5355 58.4841 39.1636 176.3661 133 T 4.6237 8.1231 113.5377 60.8878 70.2803 174.3398 134 G 3.7176 5.3800 111.0679 43.7140 0.0000 171.3935 135 P 4.4162 0.0000 0.0000 62.4496 32.1645 177.5226 136 K 3.8848 9.0840 123.5124 59.6585 31.9212 178.7347 137 Q 4.1080 8.0613 115.8240 58.1006 28.7980 176.7633 138 D 4.6198 7.6212 119.2485 53.6075 42.8583 177.0685 139 A 2.0000 6.9125 125.4144 49.8963 16.7937 178.9145 140 V 3.4691 6.2053 113.4213 62.0064 32.2186 177.4621 141 W 4.5796 6.4014 115.7923 56.1305 28.5315 175.7676 142 L 4.8850 6.9792 119.5907 52.7324 43.8473 177.0935 143 N 4.6667 9.1534 121.5814 52.1001 39.8733 175.5251 144 D 4.3354 8.5034 119.3230 57.8547 41.1364 178.5545 145 E 4.1218 8.1405 118.2025 59.7126 29.7112 179.2723 146 Q 4.0940 9.3796 118.8965 59.0057 28.7152 179.1741 147 K 4.0461 8.2410 119.5079 59.4262 31.8153 179.4720 148 K 4.0469 7.8958 117.7689 58.8104 32.0496 178.2092 149 A 4.4524 7.5842 118.0553 51.2836 19.3199 176.7480 150 Y 4.3359 7.5097 120.3759 57.7784 39.5472 174.9123 151 T 4.1077 7.5473 120.0789 59.5793 70.2477 171.1750 152 P 4.3861 0.0000 0.0000 62.2796 31.8182 175.4305 153 Y 4.0402 8.9560 128.8046 58.2649 39.5216 175.8594 154 K 4.5123 7.3727 128.6082 52.8060 35.4832 173.5326 155 Q 4.0387 8.6993 126.1790 56.7608 29.5088 176.2947 156 G 4.0440 8.9649 111.5115 45.2766 0.0000 173.8110 157 E 3.9220 7.2457 120.3110 56.3435 30.0250 176.2291 158 V 4.4047 8.0989 123.8980 60.8735 33.7786 174.9643 159 I 4.0072 8.5216 128.8335 60.1353 37.8214 174.1343 160 P 4.2077 0.0000 0.0000 63.1678 31.4791 177.4278 161 K 4.1225 8.7619 122.5692 58.4998 32.2092 177.2746 162 D 4.6864 7.9103 116.5999 52.5610 39.7566 176.2902 163 A 4.0752 7.7153 123.5701 52.7395 18.7653 177.6105 164 K 4.7506 8.1696 121.4989 54.7611 36.0401 176.5282 165 G 3.9263 7.8901 111.1082 45.9631 0.0000 174.4245 166 Q 4.1459 9.2812 120.7290 57.6995 29.0884 175.3941 167 C 4.7507 7.5377 115.7422 54.3176 42.0427 173.5957 168 K 4.1382 8.4970 126.3637 55.2629 31.3892 174.6754 169 P 4.4410 0.0000 0.0000 63.0006 31.7643 177.4605 170 L 4.1787 8.5023 122.1815 56.9417 41.9776 177.8763 171 D 4.5307 7.5168 114.1948 54.6037 40.6043 176.3130 172 E 4.0847 8.0950 122.7102 56.2226 29.4930 174.2037 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 *24 S 8.43 4.56 0.00 3.65 3.68 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 0.00 0.00 0.00 *25 Q 8.89 4.67 0.00 2.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.02 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 26 G 9.27 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.80 4.53 0.00 1.69 1.72 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.33 7.81 *28 E 8.20 4.84 0.00 1.96 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 2.12 1.86 0.00 29 G 8.56 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 30 G 8.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.91 4.62 0.00 1.83 1.98 0.00 3.24 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 32 D 7.82 4.89 0.00 2.80 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 33 T 7.73 4.06 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 1.28 0.00 0.00 34 P 0.00 4.24 0.00 2.20 2.17 0.00 3.66 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 2.16 2.19 0.00 35 A 7.88 3.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.44 3.45 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 0.96 0.00 0.00 37 K 8.13 3.88 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 38 K 8.23 3.90 0.00 1.97 1.88 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 39 F 8.33 4.50 0.00 2.96 3.05 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 40 L 7.89 3.78 0.00 1.57 1.59 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.46 4.27 0.00 1.98 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 2.25 2.40 0.00 42 T 7.75 4.36 4.18 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 1.16 0.00 0.00 43 G 8.21 3.48 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 0.00 0.00 0.00 44 E 7.80 4.04 0.00 2.02 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 2.31 2.25 0.00 45 N 8.46 4.83 0.00 2.83 2.73 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.09 4.15 0.00 1.47 1.88 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.64 4.70 0.00 3.00 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 48 I 7.47 4.01 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 1.04 0.00 0.00 49 D 8.94 4.44 0.00 2.92 2.87 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 50 D 8.12 4.68 0.00 2.85 2.75 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 0.00 0.00 0.00 0.00 51 K 8.80 3.95 0.00 1.86 1.89 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.56 7.81 52 S 8.27 4.10 0.00 4.14 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 53 C 8.25 4.14 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 54 L 8.38 4.19 0.00 1.96 2.12 0.94 1.02 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 55 R 8.07 3.69 0.00 1.93 1.89 0.00 3.10 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 56 N 7.91 4.34 0.00 2.84 2.80 0.00 0.00 6.95 8.84 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 57 G 8.41 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.65 2.54 0.00 1.16 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 1.89 1.47 0.00 59 S 7.41 4.03 0.00 3.99 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 60 L 8.19 3.98 0.00 1.70 1.75 0.94 0.83 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 61 F 8.85 4.13 0.00 3.33 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 62 A 7.92 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.49 4.08 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 1.18 0.00 0.00 64 S 7.68 4.61 0.00 3.91 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 65 C 7.33 4.57 0.00 1.66 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 66 S 7.55 4.14 0.00 4.15 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 67 G 8.01 3.73 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 0.00 0.00 0.00 68 C 7.99 4.63 0.00 2.85 2.82 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 69 H 8.50 4.62 0.00 3.44 3.49 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.40 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 71 H 8.93 4.30 0.00 3.18 3.48 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.72 4.43 0.00 1.85 1.55 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.42 4.36 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.65 4.17 0.00 2.25 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 0.00 2.34 2.43 0.00 75 G 9.24 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 76 K 9.06 4.59 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 77 L 9.26 4.13 0.00 1.64 1.68 0.90 0.82 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 8.47 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.91 0.00 2.11 2.14 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 80 G 8.54 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 81 L 8.81 4.22 0.00 1.55 1.63 0.87 1.01 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 82 N 7.82 4.88 0.00 2.98 2.90 0.00 0.00 5.69 8.07 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 83 D 7.45 5.41 0.00 2.74 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 84 N 8.87 5.21 0.00 3.14 3.31 0.00 0.00 5.71 7.55 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 85 Y 7.74 4.77 0.00 2.95 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 86 W 7.63 4.63 0.00 3.10 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 87 T 8.50 3.57 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 0.41 0.00 0.00 88 Y 7.51 4.62 0.00 3.06 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 89 P 0.00 4.22 0.00 2.16 2.12 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 90 S 8.17 4.07 0.00 3.90 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 91 N 8.23 4.47 0.00 2.82 2.61 0.00 0.00 6.62 6.59 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 92 T 7.43 3.58 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 0.64 0.00 0.00 93 T 6.71 4.75 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 1.16 0.00 0.00 94 D 8.64 4.43 0.00 2.92 2.82 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 95 V 7.95 4.00 1.92 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 0.27 0.00 0.00 0.86 0.00 0.00 96 G 8.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.94 4.48 0.00 1.82 1.82 0.95 0.55 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 98 F 8.66 3.96 0.00 3.34 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 99 A 8.57 4.17 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 0.00 100 T 7.81 3.80 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 101 I 7.53 3.90 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.89 0.00 0.00 102 F 8.41 4.08 0.00 2.80 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 0.00 103 G 7.88 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 0.00 0.00 0.00 0.00 104 G 8.30 3.55 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 0.00 105 A 7.46 3.70 1.23 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 0.00 0.00 0.00 106 N 8.37 4.21 0.00 2.80 2.80 0.00 0.00 6.90 7.65 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 0.00 107 G 7.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 8.91 4.82 0.00 1.99 2.00 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 2.50 2.57 0.00 109 M 7.97 4.41 0.00 1.71 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 110 G 8.10 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 0.00 111 P 0.00 4.52 0.00 2.13 2.05 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 112 H 7.75 5.00 0.00 3.11 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.36 4.88 0.00 2.58 2.60 0.00 0.00 7.01 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.51 3.71 0.00 1.49 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 0.00 1.50 1.47 0.00 115 N 8.28 4.81 0.00 2.76 2.79 0.00 0.00 6.21 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.41 4.76 0.00 1.73 1.70 0.98 0.93 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 0.00 117 T 8.94 4.40 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 1.32 0.00 0.00 118 P 0.00 4.45 0.00 2.47 2.34 0.00 3.92 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 2.34 2.62 0.00 119 D 8.39 4.44 0.00 3.09 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 0.00 120 E 8.36 4.08 0.00 2.32 2.04 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 2.36 2.37 0.00 121 M 8.47 4.12 0.00 2.35 2.34 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 2.62 2.15 0.00 122 L 8.05 3.92 0.00 1.94 1.52 0.43 -0.21 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 0.00 123 Q 8.13 4.16 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.04 2.77 0.00 124 T 8.31 4.05 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 1.43 0.00 0.00 125 I 8.29 3.70 2.01 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 1.47 0.80 0.90 0.00 0.00 126 A 8.32 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.24 4.12 0.00 3.45 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 0.00 128 I 7.73 3.24 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.79 0.00 0.00 129 R 7.98 3.58 0.00 1.89 1.86 0.00 2.21 0.00 0.00 2.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 130 H 7.64 4.26 0.00 3.16 2.71 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 6.85 3.29 0.00 1.34 1.19 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.34 4.55 0.00 3.16 3.16 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 0.00 133 T 8.12 4.62 4.18 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 1.33 0.00 0.00 134 G 5.38 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 0.00 135 P 0.00 4.42 0.00 2.46 2.06 0.00 3.79 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 2.19 2.13 0.00 136 K 9.08 3.88 0.00 2.16 1.93 0.00 1.79 0.00 0.00 2.11 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.76 7.81 137 Q 8.06 4.11 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 138 D 7.62 4.62 0.00 2.97 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 0.00 139 A 6.91 2.00 0.35 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 0.00 140 V 6.21 3.47 1.92 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 0.56 0.00 0.00 0.85 0.00 0.00 141 W 6.40 4.58 0.00 3.32 3.40 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 0.00 142 L 6.98 4.88 0.00 1.47 1.51 0.87 1.26 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 0.00 143 N 9.15 4.67 0.00 2.95 2.97 0.00 0.00 6.73 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.50 4.34 0.00 2.64 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 0.00 145 E 8.14 4.12 0.00 2.18 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 2.47 0.00 146 Q 9.38 4.09 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 147 K 8.24 4.05 0.00 2.03 1.86 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.68 7.81 148 K 7.90 4.05 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.79 7.81 149 A 7.58 4.45 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 0.00 150 Y 7.51 4.34 0.00 3.14 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 0.00 151 T 7.55 4.11 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 1.11 0.00 0.00 152 P 0.00 4.39 0.00 1.85 1.96 0.00 3.49 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 153 Y 8.96 4.04 0.00 3.05 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 0.00 154 K 7.37 4.51 0.00 1.44 1.61 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.96 7.81 155 Q 8.70 4.04 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 156 G 8.96 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 0.00 157 E 7.25 3.92 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 158 V 8.10 4.40 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 0.93 0.00 0.00 1.03 0.00 0.00 159 I 8.52 4.01 1.90 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 1.63 1.08 1.01 0.00 0.00 160 P 0.00 4.21 0.00 2.19 2.03 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 161 K 8.76 4.12 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 162 D 7.91 4.69 0.00 2.77 2.75 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 0.00 0.00 0.00 0.00 163 A 7.72 4.08 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 0.00 164 K 8.17 4.75 0.00 1.69 1.68 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.44 7.81 165 G 7.89 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 0.00 166 Q 9.28 4.15 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 167 C 7.54 4.75 0.00 2.81 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 0.00 168 K 8.50 4.14 0.00 1.70 1.70 0.00 1.79 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 1.40 1.56 7.81 169 P 0.00 4.44 0.00 2.36 2.01 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 170 L 8.50 4.18 0.00 1.63 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.52 4.53 0.00 2.72 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 0.00 172 E 8.10 4.08 0.00 2.13 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 2.42 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.