NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 E 4.2218 8.2876 121.4553 56.2214 30.7099 176.0607 19 H 4.0188 8.1982 110.6713 58.1815 28.0858 175.7749 20 S 4.2663 8.8359 116.9889 61.3030 62.7259 177.2963 21 S 4.1106 7.9654 117.4648 61.0719 62.5978 176.0969 22 L 3.9228 7.9949 123.2658 58.3269 41.7938 178.8561 23 E 4.0003 7.7729 116.9320 59.7286 29.3531 179.4844 24 T 3.8789 7.5699 115.7179 66.8097 68.4764 176.7131 25 I 3.7914 8.0580 121.8549 64.4155 36.9076 178.2713 26 E 3.9959 8.5257 118.5372 59.5313 29.5721 179.1975 27 L 4.1624 8.2159 119.0108 57.6301 41.8061 179.1290 28 F 4.2439 8.4778 120.6997 61.7281 39.4367 177.2734 29 I 3.5314 8.1846 119.3465 64.4146 36.5819 178.3081 30 Q 3.9612 7.5606 117.8646 59.2379 28.5742 177.7706 31 H 4.3202 7.8138 115.4416 57.5737 29.4419 175.9517 32 L 4.0111 7.3555 121.0556 54.8371 41.7034 177.3268 33 T 4.1570 8.3640 113.4683 61.9883 68.9947 173.9177 34 E 4.6494 7.6731 120.5640 55.0100 32.1219 176.0687 35 A 4.2317 8.1998 125.3470 51.8726 19.4823 176.5199 *37 I 4.0143 7.8997 113.3723 60.7330 39.7638 173.8450 38 L 4.8080 8.8881 125.7822 53.4437 43.9921 175.2178 39 V 5.0016 8.7810 126.5290 61.0296 34.4675 175.1097 40 N 4.8395 9.0372 124.7579 51.4991 38.7492 175.6596 41 A 4.2824 8.8311 120.7579 55.7408 18.2422 178.4249 42 N 4.6211 8.2742 110.0079 54.1685 39.0130 175.9551 43 G 3.9833 8.9162 108.0762 45.4562 0.0000 172.7817 44 F 5.0216 7.9905 118.1422 55.3761 40.8336 175.1174 45 I 4.2899 8.9687 126.7518 61.9714 37.1538 176.5882 46 R 4.4688 9.3804 128.1655 57.8198 31.4699 175.9789 47 S 4.8404 7.7611 111.4147 57.5697 66.2311 172.3599 48 C 4.9847 8.1994 117.7155 57.8868 32.4691 171.5662 49 N 5.2361 8.3752 115.4971 50.1219 40.0900 175.1244 50 Q 3.9680 8.5137 117.9290 59.3162 28.8116 178.3054 51 R 3.9194 7.9421 118.9964 59.2286 30.2215 178.9990 52 S 4.1310 8.7352 114.1964 61.1784 62.9413 176.3846 53 A 4.3058 7.8853 125.7830 54.5211 18.2294 179.5366 54 E 3.8997 8.2955 117.1120 59.2873 29.3426 179.2354 55 L 3.8904 7.9895 119.9717 58.2866 42.1325 177.9388 56 L 4.1008 8.2367 115.0740 54.5717 42.0109 176.1277 57 D 4.3738 7.5820 117.4942 54.3124 39.9659 173.1176 58 C 4.7116 8.4271 117.6871 56.3614 35.7596 171.1452 59 P 4.5252 0.0000 0.0000 62.9403 32.9942 177.3238 60 Q 4.0238 8.7584 119.3046 59.3930 28.4567 179.8150 61 V 3.6870 7.8001 118.5984 64.5243 31.4889 177.6566 62 S 4.5465 7.9052 112.9781 59.1772 63.6962 175.6357 63 L 4.2512 7.7925 124.2522 56.6988 42.1067 177.0214 64 K 4.3871 7.3420 117.1367 58.2206 33.0228 176.8434 65 G 4.1537 9.3736 111.0882 45.6063 0.0000 174.0663 66 Q 4.4064 7.9271 118.3658 55.2531 29.6872 174.7124 67 D 4.1630 8.4741 120.9050 53.1767 41.8674 177.3744 68 W 4.3861 9.0919 125.2025 59.4603 28.0445 178.2265 69 R 3.0993 8.1154 119.8152 58.6637 29.0813 177.9543 70 N 4.1815 7.9186 115.6507 55.5482 38.5990 176.0576 71 F 5.0668 8.0628 118.8403 55.8138 39.3210 175.2938 72 L 4.7809 6.6314 118.9804 53.2167 43.5624 176.8652 73 T 4.0918 7.9662 114.4428 61.6852 69.1788 175.1245 74 E 3.9095 8.5565 124.1428 59.8329 29.2815 179.2464 75 H 4.2681 7.9768 115.4949 59.3814 28.4646 177.5324 76 H 4.4191 8.0819 116.9802 58.3743 28.5028 177.8435 77 Q 3.9040 8.0151 120.2855 59.0218 28.3941 178.6204 78 A 3.9938 7.3877 118.8505 54.9773 18.3993 179.2207 79 R 3.7937 7.3698 115.7875 58.4526 30.6386 176.3061 80 Y 4.9532 7.6193 115.8815 56.5693 38.7111 176.1200 81 D 4.5315 8.4607 121.3285 55.9572 39.8087 176.8534 82 N 4.8768 8.5742 119.7456 51.0046 41.4804 174.8420 83 L 3.7488 8.5516 126.1721 57.4301 41.7569 178.8143 84 L 4.1592 7.9540 116.1535 55.6235 42.1525 176.5882 85 S 4.4609 8.0021 113.4220 56.3296 63.8044 172.8716 86 H 4.4473 9.5553 126.7806 55.7050 29.0094 176.5757 87 D 4.4332 8.6827 121.7440 53.4052 38.5455 177.8608 *95 G 4.2159 8.1085 107.6854 46.5973 0.0000 173.6749 96 Q 5.0190 7.8187 118.8962 52.8533 32.2305 173.3725 97 P 4.6410 0.0000 0.0000 62.9615 31.6736 176.6063 98 V 3.6021 8.5200 117.4140 61.5056 32.2889 175.7491 99 Q 4.9147 8.5625 118.0412 56.2277 30.4181 172.5643 100 H 4.9224 8.4616 116.3895 53.9394 32.1564 171.6319 101 P 4.9021 0.0000 0.0000 62.0888 32.3952 175.2615 102 A 4.3313 8.3794 121.3610 52.7785 18.9367 177.0467 103 Q 4.6215 9.2263 117.3169 54.6518 32.5070 173.5444 104 E 4.4583 8.9682 121.2702 57.9419 30.1238 176.6591 105 T 4.7777 9.0848 120.0567 62.3214 73.6117 172.8160 106 T 5.0431 8.7918 121.1185 62.0524 70.5163 173.9346 107 L 5.0207 9.1024 126.3329 53.2738 45.0323 175.5002 108 I 4.9376 9.0880 122.8196 59.8900 40.2781 175.3994 109 C 4.8259 9.1316 125.0272 58.4587 29.2533 174.6452 110 A 3.5959 8.6048 124.6746 55.3103 17.9144 179.1050 111 S 4.2359 7.9800 108.1755 59.2757 63.5114 175.2110 112 G 3.9012 8.7228 110.8960 44.7436 0.0000 173.5764 113 K 4.1457 7.8548 122.6488 56.3981 33.2240 175.2036 114 A 5.2019 8.6232 129.2560 50.2782 20.9793 175.7753 115 K 4.6263 8.8748 122.1363 54.5610 35.5986 175.2069 116 D 4.9909 8.6528 124.5207 54.1028 42.6020 176.0105 117 V 4.8896 9.1071 115.8058 60.0123 37.0504 173.2411 118 E 4.8939 9.1444 122.7794 54.7864 31.1262 174.8896 119 L 5.1329 8.9054 129.8864 53.3727 44.4602 175.1996 120 S 5.2232 8.6487 119.5237 56.6194 66.3559 173.3204 121 I 4.7489 8.6362 121.6480 59.7253 40.7680 174.5881 122 S 5.0854 9.0606 122.2160 56.8131 66.3488 172.2227 123 Y 4.5859 8.5633 124.0779 55.8570 40.5097 174.8931 124 I 4.0506 7.4436 127.1220 58.3182 39.4263 173.5332 125 P 3.7907 0.0000 0.0000 61.5539 31.7714 176.1939 126 G 4.0404 7.9948 107.8757 44.9901 0.0000 172.2814 127 H 4.3523 8.2607 116.3099 58.0621 28.8084 176.0817 128 E 4.6095 7.6925 118.3044 52.7812 29.2468 173.1072 129 P 4.6709 0.0000 0.0000 61.9599 32.3468 176.2705 *131 F 4.3848 8.2194 115.2766 57.5890 40.5629 175.1485 132 V 4.6931 8.3415 123.0229 60.3532 35.2576 173.6157 *134 V 4.5976 7.8767 119.7248 63.0717 33.4859 173.4066 *136 H 4.7130 8.3633 119.7904 55.7312 30.8715 171.8830 137 D 4.6750 8.6877 126.3170 54.2976 41.8919 175.8510 138 L 4.3430 8.2748 124.9110 54.8605 41.4726 176.4164 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 18 E 8.29 4.22 0.00 1.94 1.63 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 1.93 2.06 0.00 19 H 8.20 4.02 0.00 3.52 3.59 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.84 4.27 0.00 3.97 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 21 S 7.97 4.11 0.00 4.04 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 22 L 7.99 3.92 0.00 1.92 1.74 0.99 0.79 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 23 E 7.77 4.00 0.00 2.29 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 2.35 2.54 0.00 24 T 7.57 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 I 8.06 3.79 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.92 0.97 0.00 0.00 26 E 8.53 4.00 0.00 2.06 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 2.37 2.60 0.00 27 L 8.22 4.16 0.00 1.92 1.80 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.48 4.24 0.00 3.18 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 29 I 8.18 3.53 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.87 0.00 0.00 30 Q 7.56 3.96 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 31 H 7.81 4.32 0.00 3.07 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.36 4.01 0.00 1.68 1.45 0.65 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.36 4.16 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 1.18 0.00 0.00 34 E 7.67 4.65 0.00 1.93 1.85 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 2.20 2.33 0.00 35 A 8.20 4.23 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 *37 I 7.90 4.01 1.83 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 1.15 0.69 0.84 0.00 0.00 38 L 8.89 4.81 0.00 1.83 1.56 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.78 5.00 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 0.77 0.00 0.00 0.73 0.00 0.00 40 N 9.04 4.84 0.00 3.07 3.06 0.00 0.00 6.68 7.43 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 41 A 8.83 4.28 1.48 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 42 N 8.27 4.62 0.00 3.01 3.23 0.00 0.00 7.03 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 43 G 8.92 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.99 5.02 0.00 3.42 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 45 I 8.97 4.29 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.98 0.00 0.00 46 R 9.38 4.47 0.00 1.83 1.98 0.00 3.31 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 1.60 1.60 0.00 47 S 7.76 4.84 0.00 4.06 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 48 C 8.20 4.98 0.00 2.93 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 49 N 8.38 5.24 0.00 2.86 2.97 0.00 0.00 7.06 8.13 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 50 Q 8.51 3.97 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 51 R 7.94 3.92 0.00 1.98 1.93 0.00 3.33 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 52 S 8.74 4.13 0.00 3.93 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 53 A 7.89 4.31 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 54 E 8.30 3.90 0.00 2.15 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 2.32 2.48 0.00 55 L 7.99 3.89 0.00 1.59 1.78 0.92 0.93 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 56 L 8.24 4.10 0.00 1.56 1.35 0.74 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.58 4.37 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 58 C 8.43 4.71 0.00 3.09 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 59 P 0.00 4.53 0.00 2.32 2.18 0.00 3.81 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 2.11 2.08 0.00 60 Q 8.76 4.02 0.00 2.12 2.21 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 2.44 2.42 0.00 61 V 7.80 3.69 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 0.95 0.00 0.00 62 S 7.91 4.55 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.79 4.25 0.00 1.98 1.79 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.34 4.39 0.00 1.98 1.84 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.64 7.81 65 G 9.37 4.15 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 0.00 66 Q 7.93 4.41 0.00 2.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.96 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 67 D 8.47 4.16 0.00 2.10 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 0.00 0.00 0.00 0.00 68 W 9.09 4.39 0.00 3.70 3.27 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 69 R 8.12 3.10 0.00 1.85 1.70 0.00 3.13 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.00 70 N 7.92 4.18 0.00 2.26 2.37 0.00 0.00 6.94 8.30 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 71 F 8.06 5.07 0.00 3.04 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 72 L 6.63 4.78 0.00 1.52 1.47 0.40 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.97 4.09 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 0.94 0.00 0.00 74 E 8.56 3.91 0.00 1.86 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 0.00 2.24 2.34 0.00 75 H 7.98 4.27 0.00 3.09 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.08 4.42 0.00 3.21 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.02 3.90 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 78 A 7.39 3.99 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 79 R 7.37 3.79 0.00 1.64 1.91 0.00 2.99 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 80 Y 7.62 4.95 0.00 3.01 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 81 D 8.46 4.53 0.00 2.77 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 82 N 8.57 4.88 0.00 2.76 2.66 0.00 0.00 7.30 7.46 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 83 L 8.55 3.75 0.00 1.12 0.13 0.31 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.95 4.16 0.00 1.80 1.75 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.00 4.46 0.00 3.81 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 86 H 9.56 4.45 0.00 3.22 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.68 4.43 0.00 2.74 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 *95 G 8.11 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 96 Q 7.82 5.02 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 97 P 0.00 4.64 0.00 0.83 1.53 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 98 V 8.52 3.60 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 0.50 0.00 0.00 0.86 0.00 0.00 99 Q 8.56 4.91 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 100 H 8.46 4.92 0.00 3.29 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.90 0.00 2.14 2.15 0.00 3.91 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 2.04 2.02 0.00 102 A 8.38 4.33 1.30 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 0.00 0.00 0.00 103 Q 9.23 4.62 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 104 E 8.97 4.46 0.00 1.89 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 2.35 2.40 0.00 105 T 9.08 4.78 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 1.35 0.00 0.00 106 T 8.79 5.04 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 1.29 0.00 0.00 107 L 9.10 5.02 0.00 1.79 1.65 1.01 0.67 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 0.00 108 I 9.09 4.94 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.41 0.88 0.00 0.00 109 C 9.13 4.83 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.60 3.60 1.26 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 0.00 0.00 111 S 7.98 4.24 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.72 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 0.00 0.00 0.00 113 K 7.85 4.15 0.00 1.78 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.56 7.81 114 A 8.62 5.20 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 0.00 115 K 8.87 4.63 0.00 1.71 1.70 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 116 D 8.65 4.99 0.00 2.62 2.60 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 0.00 117 V 9.11 4.89 2.23 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 0.77 0.00 0.00 1.02 0.00 0.00 118 E 9.14 4.89 0.00 1.94 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 2.26 2.38 0.00 119 L 8.91 5.13 0.00 1.90 1.61 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.65 5.22 0.00 4.04 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 0.00 121 I 8.64 4.75 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 0.92 0.00 0.00 122 S 9.06 5.09 0.00 3.70 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 0.00 123 Y 8.56 4.59 0.00 2.95 2.79 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 0.00 0.00 0.00 124 I 7.44 4.05 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.71 0.00 0.00 125 P 0.00 3.79 0.00 1.97 1.64 0.00 3.40 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 126 G 7.99 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 0.00 127 H 8.26 4.35 0.00 3.15 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.69 4.61 0.00 1.92 1.88 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 2.23 2.28 0.00 129 P 0.00 4.67 0.00 2.38 2.25 0.00 3.52 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 *131 F 8.22 4.38 0.00 2.93 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 0.00 132 V 8.34 4.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.88 0.00 0.00 *134 V 7.88 4.60 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 1.15 0.00 0.00 0.92 0.00 0.00 *136 H 8.36 4.71 0.00 3.33 3.27 0.00 5.92 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.69 4.68 0.00 2.70 2.50 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 0.00 138 L 8.27 4.34 0.00 1.73 1.55 0.94 0.95 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 * Residues marked with a * may have inaccurate shift predictions.