NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.7291 8.1233 122.4876 52.0690 20.8626 175.6217 12 S 5.1548 8.4980 114.9264 58.0604 65.8609 171.8866 13 L 5.2012 8.8212 122.5119 53.1860 45.4412 174.7058 14 Y 4.8725 9.3631 124.6534 56.9157 41.0071 175.1357 15 V 4.0990 7.8656 119.0084 60.4665 35.4945 173.8606 16 G 4.2676 8.1581 116.5532 44.2703 0.0000 171.5444 17 D 4.4706 8.6585 116.6346 55.3310 38.3250 173.8328 18 L 4.4085 7.4881 117.4578 53.8159 42.9364 176.8072 19 H 4.3196 8.6188 122.4613 55.1236 30.4376 174.3495 20 P 4.1872 0.0000 0.0000 65.2743 30.8731 176.2827 21 D 4.7632 8.1412 116.2122 53.9611 42.2075 176.6538 22 V 3.5464 7.8960 120.6607 63.3837 32.0096 176.0542 23 T 4.5239 8.1443 117.4182 60.1908 72.3917 175.1934 24 E 4.0233 8.5091 119.1116 59.1613 29.2860 179.3643 25 A 4.0490 7.9380 120.6694 55.4258 18.5411 179.4174 26 M 4.2890 7.6838 117.9060 58.1021 31.9737 178.9756 27 L 4.2454 7.8858 118.6673 57.9490 41.7153 178.9844 28 Y 4.1456 8.3499 119.5588 60.8063 38.7484 177.8803 29 E 3.7487 8.4762 119.6528 59.2015 29.3227 179.3551 30 K 3.7996 8.1181 118.7296 59.6602 32.5798 178.6540 31 F 4.3429 9.0240 118.3508 59.6335 39.0686 177.7580 32 S 3.7952 8.2826 113.7609 61.2146 61.7385 174.5560 33 P 4.2343 0.0000 0.0000 65.7171 31.0546 178.0797 34 A 4.2901 8.5071 119.0688 51.8797 18.4558 177.5511 35 G 4.3231 7.2126 106.5022 43.8436 0.0000 170.3230 36 P 4.2978 0.0000 0.0000 63.4258 31.4017 175.2890 37 I 4.2382 8.1607 123.0077 60.2800 38.3341 175.3036 38 L 4.4028 8.8668 129.2346 57.0463 42.4152 176.5111 39 S 4.6936 7.5335 110.9429 57.5192 66.5071 172.5882 40 I 5.0344 8.0046 120.3875 59.8752 40.9243 174.7743 41 R 4.6054 9.3454 126.7018 54.5868 33.8913 173.5636 42 V 4.4235 8.1308 126.0930 61.0388 33.3650 174.8894 43 C 4.2653 7.9505 126.8949 59.8163 28.7374 173.1724 44 R 5.0201 8.2886 122.0051 53.6726 33.7639 175.0203 45 D 4.0793 9.8585 121.1474 54.8361 41.8557 176.0230 46 M 3.7304 9.0526 122.2708 59.0757 32.8044 177.1752 47 I 4.1027 7.6317 113.2315 63.1739 38.9547 177.3914 48 T 3.9494 8.3602 109.7582 61.9831 68.8380 175.6866 49 R 3.9125 7.9013 118.8435 56.2879 28.5974 176.2717 50 R 3.9657 7.5584 119.3530 56.6830 30.8778 176.0450 51 S 4.0946 8.7345 120.2291 58.5683 63.2891 173.3686 52 L 4.4483 8.6234 123.0381 53.7090 42.5223 177.3690 53 G 3.9257 9.1310 107.3510 45.8586 0.0000 172.7130 54 Y 5.0336 6.9689 115.6662 56.1496 41.3167 172.6440 55 A 4.3421 8.3773 120.4847 51.0126 23.5856 174.4371 56 Y 5.2077 8.9112 117.1427 56.2866 41.0035 175.4773 57 V 4.5233 8.7276 123.9827 61.2935 34.0848 173.7145 58 N 5.4051 9.4248 127.4299 52.1091 40.1420 175.3452 59 F 4.7083 9.1028 123.0568 56.4497 40.7571 176.0553 60 Q 4.3367 8.9365 118.9672 57.7800 29.6874 177.0418 61 Q 4.7148 8.0844 118.2588 53.0335 31.1536 174.4875 62 P 4.3653 0.0000 0.0000 66.2676 31.0241 178.3585 63 A 4.1574 7.9990 119.4534 54.4505 18.3252 179.2841 64 D 4.1071 8.1274 117.7682 57.4225 41.1066 178.3782 65 A 2.9817 7.7140 120.7015 54.9797 18.1394 179.2411 66 E 3.7256 8.0416 117.0295 59.2828 29.6014 178.7029 67 R 3.7951 7.5188 117.0898 59.6596 30.3514 177.9202 68 A 4.0353 8.0284 120.6293 55.0294 18.0452 179.3366 69 L 3.7902 7.2202 117.6546 57.5686 42.1376 177.2184 70 D 4.7078 7.9565 116.7727 54.2849 41.9056 176.2394 71 T 4.6746 7.3955 112.9356 64.8267 75.6762 174.7565 72 M 5.0543 8.0334 118.3103 54.3597 32.2237 175.4374 73 N 4.1657 7.5366 118.8389 54.6358 39.4928 173.2561 74 F 4.6156 8.2950 125.3558 57.5599 38.3524 175.3739 75 D 4.5023 7.2265 119.0924 53.4186 39.5063 176.3691 76 V 4.0156 7.9795 119.6358 62.9372 32.0476 175.7436 77 I 4.3974 8.2765 124.6344 61.1677 40.6979 175.3253 78 K 3.7069 10.0972 123.6127 57.6946 29.9795 175.1129 79 G 4.3283 8.5402 110.6191 46.0612 0.0000 175.2300 80 K 4.4268 7.7105 119.4411 54.7046 33.6736 174.5962 81 P 4.8432 0.0000 0.0000 62.3650 32.5646 176.1430 82 V 4.2054 8.1454 117.0089 60.6477 33.4691 175.1713 83 R 4.3047 8.6444 126.0204 55.1738 31.1066 174.8146 84 I 5.0675 8.2436 128.1146 59.9887 39.5983 175.0936 85 M 4.6044 8.7515 121.4252 53.6094 34.8311 174.0039 86 W 4.6871 8.5702 119.7396 57.0781 29.9889 176.1209 87 S 4.4112 8.7251 118.4772 59.0143 61.2473 174.6059 88 Q 4.5121 8.5317 126.8148 55.5914 29.5189 174.4574 89 R 3.8963 8.3327 123.0631 57.6331 30.6455 176.4961 90 D 4.5714 7.3092 117.2439 52.5147 40.8726 174.9073 91 P 4.3761 0.0000 0.0000 64.8559 31.3081 178.8239 92 S 3.9707 8.1974 115.6008 61.3900 63.0092 176.4117 93 L 4.1165 7.7560 125.8477 56.9522 41.8317 178.8192 94 R 3.9249 7.9241 116.0427 58.3880 30.0123 177.8784 95 K 4.2812 8.1862 119.0117 57.4188 32.8022 177.4718 96 S 4.5453 8.3128 112.9987 58.7591 64.4841 175.5787 97 G 3.8255 7.9687 110.3775 47.6238 0.0000 175.4609 98 V 3.9096 7.7340 117.0307 63.7934 32.7515 177.8381 99 G 4.1749 8.0052 105.8893 46.3062 0.0000 173.0602 100 N 5.2420 8.1938 121.3200 51.6472 38.6971 174.1552 101 I 4.4930 8.4963 119.8066 60.0227 40.0486 174.3993 102 F 4.8686 8.8427 124.1615 58.3807 42.0614 172.2175 103 I 4.0968 7.4817 121.8304 62.2287 38.9585 177.5552 *113 K 3.2539 9.2332 126.4226 56.7575 35.0964 178.1612 114 A 4.1050 7.7177 121.1348 54.7125 17.9255 178.9129 115 L 3.9675 7.9849 118.3682 58.7721 41.7539 178.5495 116 Y 3.8946 7.5430 118.4302 60.8626 38.5059 177.6441 117 D 4.6529 8.3076 120.9131 57.0742 40.7396 179.1002 118 T 3.7667 7.8542 107.7956 63.8326 68.6750 174.8351 119 F 4.6363 7.6594 118.8125 56.9051 40.4445 177.3864 120 S 3.6208 7.5273 113.9870 61.6334 62.3841 176.7451 121 A 3.9537 8.1938 129.7341 55.7063 19.5944 179.6106 122 F 4.7889 7.8134 113.7836 58.7591 39.1912 176.1050 123 G 4.5057 8.7532 112.9614 44.8745 0.0000 171.1105 124 N 4.3203 8.3751 118.3062 53.8648 39.6569 173.6460 125 I 4.1184 8.2655 124.7273 60.0753 38.3918 175.5007 126 L 4.3016 9.3249 131.0154 57.5430 42.7680 177.3551 127 S 4.4932 7.7179 112.1365 57.8322 64.8382 173.4730 128 C 5.3692 8.8412 122.5563 56.5131 32.3759 173.7930 129 K 4.4565 9.0097 122.7398 55.6204 35.3386 174.6395 130 V 4.0784 8.4433 129.0673 62.2229 32.3136 176.2104 131 V 3.9001 8.1915 128.0247 62.5082 32.5485 175.0360 132 C 4.5476 8.1273 117.2328 59.1646 31.8661 174.2685 *137 S 4.2720 8.6324 118.6645 59.3361 63.2240 174.8433 138 K 4.2876 8.1972 117.0277 56.0939 30.8716 177.7684 139 G 4.2874 12.0000 108.4557 45.9227 0.0000 173.5306 140 Y 5.2307 6.7191 116.3077 54.9700 40.7828 175.1058 141 G 4.0507 7.6258 105.3462 45.3832 0.0000 172.7000 142 F 5.2203 8.3523 122.4399 56.3110 42.3784 175.4996 143 V 4.4502 8.1563 116.4726 61.6969 34.2108 171.8653 144 H 5.2739 9.2007 127.7757 54.9495 31.0097 174.6188 145 F 4.7008 9.9812 126.1633 56.4381 40.3810 175.0977 146 E 4.3217 9.2798 121.8714 59.1340 28.7706 177.1653 147 T 4.2491 7.7867 111.3410 61.5613 69.7727 175.2397 148 Q 4.1984 8.5827 121.6754 58.5916 28.8687 178.3542 149 E 4.0646 8.1999 119.1110 59.5713 29.3691 178.8502 150 A 3.8776 7.2875 118.5312 55.3175 18.5207 179.2573 151 A 3.4509 7.2731 116.4144 53.2930 19.0372 177.7956 152 E 4.0859 7.6854 117.6507 54.6575 28.4336 175.2132 *173 F 4.6395 8.3187 127.7166 56.7263 41.2920 175.7185 174 K 3.3776 8.1825 114.2028 55.0392 28.0556 178.8602 175 S 4.2315 8.3773 119.4163 58.2720 62.7218 175.0987 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 11 A 8.12 4.73 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 12 S 8.50 5.15 0.00 3.98 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 13 L 8.82 5.20 0.00 1.65 1.39 0.82 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.36 4.87 0.00 3.09 2.97 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 0.00 0.00 0.00 15 V 7.87 4.10 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 0.42 0.00 0.00 0.88 0.00 0.00 16 G 8.16 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 17 D 8.66 4.47 0.00 2.96 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 18 L 7.49 4.41 0.00 1.65 1.57 0.91 1.07 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 19 H 8.62 4.32 0.00 3.17 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.64 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 4.19 0.00 2.19 2.16 0.00 3.30 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 21 D 8.14 4.76 0.00 2.67 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 22 V 7.90 3.55 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 0.78 0.00 0.00 0.97 0.00 0.00 23 T 8.14 4.52 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 1.24 0.00 0.00 24 E 8.51 4.02 0.00 2.01 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 0.00 2.36 2.34 0.00 25 A 7.94 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.68 4.29 0.00 2.10 2.27 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 2.63 2.44 0.00 27 L 7.89 4.25 0.00 1.98 1.89 0.89 0.87 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 28 Y 8.35 4.15 0.00 3.12 3.20 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 29 E 8.48 3.75 0.00 2.20 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 2.40 2.69 0.00 30 K 8.12 3.80 0.00 1.61 1.83 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.99 0.47 7.81 31 F 9.02 4.34 0.00 3.14 3.22 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 32 S 8.28 3.80 0.00 2.72 3.41 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 33 P 0.00 4.23 0.00 2.00 2.07 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 34 A 8.51 4.29 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 35 G 7.21 4.32 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 36 P 0.00 4.30 0.00 2.50 2.29 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 37 I 8.16 4.24 1.94 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 0.13 0.46 0.86 0.00 0.00 38 L 8.87 4.40 0.00 1.73 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.53 4.69 0.00 3.86 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 40 I 8.00 5.03 1.85 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 1.21 0.96 0.88 0.00 0.00 41 R 9.35 4.61 0.00 1.81 1.78 0.00 3.21 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 42 V 8.13 4.42 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 0.71 0.00 0.00 0.85 0.00 0.00 43 C 7.95 4.27 0.00 2.04 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 44 R 8.29 5.02 0.00 1.61 1.93 0.00 3.35 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 45 D 9.86 4.08 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 9.05 3.73 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 47 I 7.63 4.10 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 1.47 1.02 0.91 0.00 0.00 48 T 8.36 3.95 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 R 7.90 3.91 0.00 2.02 2.09 0.00 3.34 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 50 R 7.56 3.97 0.00 1.92 1.81 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 51 S 8.73 4.09 0.00 3.88 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 52 L 8.62 4.45 0.00 1.41 1.77 1.00 0.86 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 53 G 9.13 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 54 Y 6.97 5.03 0.00 2.45 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.38 4.34 1.09 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 0.00 0.00 56 Y 8.91 5.21 0.00 2.87 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 57 V 8.73 4.52 1.67 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 0.59 0.00 0.00 0.35 0.00 0.00 58 N 9.42 5.41 0.00 2.87 2.75 0.00 0.00 6.60 6.86 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 59 F 9.10 4.71 0.00 2.95 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 60 Q 8.94 4.34 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 61 Q 8.08 4.71 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 62 P 0.00 4.37 0.00 2.27 2.35 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 63 A 8.00 4.16 1.36 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 0.00 0.00 64 D 8.13 4.11 0.00 2.80 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 65 A 7.71 2.98 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 66 E 8.04 3.73 0.00 2.37 2.19 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 2.37 2.51 0.00 67 R 7.52 3.80 0.00 1.92 2.03 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 68 A 8.03 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.22 3.79 0.00 1.32 1.43 0.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.96 4.71 0.00 2.74 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 71 T 7.40 4.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 72 M 8.03 5.05 0.00 1.72 2.03 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 2.41 2.20 0.00 73 N 7.54 4.17 0.00 2.62 2.28 0.00 0.00 7.29 7.02 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 74 F 8.30 4.62 0.00 3.24 3.31 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 75 D 7.23 4.50 0.00 2.94 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 76 V 7.98 4.02 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 0.88 0.00 0.00 0.94 0.00 0.00 77 I 8.28 4.40 1.87 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 1.24 0.83 0.90 0.00 0.00 78 K 10.10 3.71 0.00 1.80 1.70 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.67 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.37 7.81 79 G 8.54 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 80 K 7.71 4.43 0.00 1.85 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.49 7.81 81 P 0.00 4.84 0.00 2.07 2.23 0.00 3.71 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 2.06 2.14 0.00 82 V 8.15 4.21 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 0.66 0.00 0.00 0.95 0.00 0.00 83 R 8.64 4.30 0.00 2.25 1.86 0.00 3.16 0.00 0.00 3.47 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 84 I 8.24 5.07 1.75 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 1.29 0.64 0.80 0.00 0.00 85 M 8.75 4.60 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 86 W 8.57 4.69 0.00 3.25 3.19 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 87 S 8.73 4.41 0.00 4.18 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 88 Q 8.53 4.51 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 89 R 8.33 3.90 0.00 1.87 2.04 0.00 3.09 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 90 D 7.31 4.57 0.00 2.62 2.58 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 91 P 0.00 4.38 0.00 2.26 2.23 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 92 S 8.20 3.97 0.00 4.09 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 0.00 93 L 7.76 4.12 0.00 1.71 1.65 0.89 1.25 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 94 R 7.92 3.92 0.00 1.86 1.87 0.00 3.06 0.00 0.00 2.91 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 95 K 8.19 4.28 0.00 1.70 1.94 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 96 S 8.31 4.55 0.00 4.10 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 0.00 97 G 7.97 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 98 V 7.73 3.91 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 0.83 0.00 0.00 0.99 0.00 0.00 99 G 8.01 4.17 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 0.00 100 N 8.19 5.24 0.00 2.14 2.72 0.00 0.00 7.20 7.94 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 0.00 101 I 8.50 4.49 1.97 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 1.50 0.67 0.98 0.00 0.00 102 F 8.84 4.87 0.00 3.32 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 0.00 103 I 7.48 4.10 1.83 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.92 0.92 0.00 0.00 *113 K 9.23 3.25 0.00 1.73 1.76 0.00 1.29 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.26 7.81 114 A 7.72 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.98 3.97 0.00 1.75 1.66 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.54 3.89 0.00 3.30 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 0.00 117 D 8.31 4.65 0.00 2.83 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 0.00 118 T 7.85 3.77 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 1.18 0.00 0.00 119 F 7.66 4.64 0.00 3.09 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 0.00 120 S 7.53 3.62 0.00 3.71 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 0.00 121 A 8.19 3.95 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 0.00 122 F 7.81 4.79 0.00 3.78 3.11 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 0.00 123 G 8.75 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.32 0.00 2.86 2.95 0.00 0.00 6.49 7.40 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 0.00 125 I 8.27 4.12 1.11 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 1.46 0.79 0.78 0.00 0.00 126 L 9.32 4.30 0.00 1.62 1.67 1.04 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.72 4.49 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 0.00 128 C 8.84 5.37 0.00 3.13 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 0.00 129 K 9.01 4.46 0.00 1.98 1.88 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 130 V 8.44 4.08 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 0.77 0.00 0.00 0.85 0.00 0.00 131 V 8.19 3.90 1.62 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 -0.78 0.00 0.00 0.90 0.00 0.00 132 C 8.13 4.55 0.00 2.93 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 *137 S 8.63 4.27 0.00 3.83 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 0.00 138 K 8.20 4.29 0.00 1.89 2.05 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.02 7.81 139 G 12.00 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 0.00 0.00 0.00 0.00 140 Y 6.72 5.23 0.00 2.60 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 0.00 141 G 7.63 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 0.00 0.00 0.00 142 F 8.35 5.22 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.16 4.45 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 0.12 0.00 0.00 0.42 0.00 0.00 144 H 9.20 5.27 0.00 3.28 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.98 4.70 0.00 2.95 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 0.00 146 E 9.28 4.32 0.00 2.08 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 2.38 2.31 0.00 147 T 7.79 4.25 4.52 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 1.26 0.00 0.00 148 Q 8.58 4.20 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 149 E 8.20 4.06 0.00 2.04 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 2.40 2.45 0.00 150 A 7.29 3.88 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 0.00 151 A 7.27 3.45 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 0.00 152 E 7.69 4.09 0.00 2.03 1.84 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 2.21 2.24 0.00 *173 F 8.32 4.64 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.18 3.38 0.00 1.88 1.66 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.01 7.81 175 S 8.38 4.23 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.