NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.3248 8.1227 123.6086 51.7585 19.4972 176.4033 14 E 3.1568 8.1446 120.2160 60.3459 30.2661 176.1763 15 A 4.0853 7.9354 121.0583 52.8965 19.7181 178.1242 16 G 3.7854 8.6445 109.2997 48.6875 0.0000 176.1442 17 I 3.5729 6.9930 120.2521 63.8007 37.2313 177.2948 18 T 3.8383 7.5266 116.7741 62.7595 68.9208 174.6452 19 G 3.7159 7.2306 112.6997 44.5802 0.0000 170.8272 20 T 4.8027 7.4418 116.5327 61.5353 70.3925 174.4399 21 W 5.2154 8.8524 125.0628 55.1593 34.0352 173.8234 22 Y 5.4901 9.7850 118.7913 56.6243 42.2443 174.9957 23 N 5.4971 8.9740 120.0252 50.3082 40.0640 175.4762 24 Q 4.0508 8.7526 115.8177 58.8903 28.5167 177.1357 25 L 4.4361 8.2727 115.9369 54.3117 41.9444 177.1137 26 G 4.0663 8.1800 107.2323 44.9969 0.0000 174.4178 27 S 4.5262 8.3086 116.2446 58.8980 64.3633 173.3566 28 T 4.9213 9.0281 118.9909 61.6595 72.0982 172.7300 29 F 5.0552 9.2336 128.5025 56.5264 42.2046 173.8113 30 I 4.4269 8.5294 128.5317 59.8676 38.5587 175.1953 31 V 4.6111 8.4969 127.1328 61.0758 35.4270 174.0968 32 T 4.7368 8.9144 122.7024 61.6082 71.3648 172.7848 33 A 4.8224 8.6740 129.1498 50.1778 20.1310 177.2370 34 G 3.8284 9.2797 112.4891 44.7569 0.0000 174.2627 35 A 4.0634 8.7192 123.7985 55.3032 18.3293 178.6313 36 D 4.5059 7.9043 111.9376 54.4216 41.2770 176.9399 37 G 3.4310 7.8895 107.8842 44.6942 0.0000 173.3821 38 A 4.7424 8.0285 121.9052 51.1045 20.6808 176.5078 39 L 5.3206 8.9038 121.0941 53.1883 44.9358 175.9349 40 T 5.0025 9.2587 112.3869 59.6455 72.9728 174.5802 41 G 4.1755 7.0089 105.9562 46.1139 0.0000 171.2429 42 T 5.2235 7.5594 108.6381 60.2271 72.8662 172.1949 43 Y 5.3125 9.3478 124.2936 55.8929 42.1212 174.1397 44 E 5.9428 9.1743 123.4397 54.2643 32.7297 176.0126 45 S 4.3513 9.2625 116.7108 59.1692 65.3771 173.7013 *52 S 4.3034 7.5474 114.0664 57.9594 63.8886 171.6838 53 R 5.0477 8.1952 119.6000 55.5199 31.1306 174.8476 54 Y 4.8525 8.9911 121.4944 56.0648 42.4914 174.7444 55 V 4.4686 8.5326 122.2720 62.6137 32.4784 175.0942 56 L 5.3246 8.7802 126.5674 53.3588 43.9845 175.1503 57 T 4.9053 8.3034 113.6395 61.3321 71.4750 173.1759 58 G 4.4599 8.6749 111.9336 46.4644 0.0000 172.0125 59 R 5.5994 8.5238 117.2086 55.1599 35.0122 173.9721 60 Y 5.2764 8.6180 118.2301 55.3583 41.8295 174.2985 61 D 4.3766 8.9973 120.8416 54.0824 41.8553 176.3388 62 S 4.4612 8.2707 119.9970 58.4341 63.7631 174.9622 63 A 4.6786 8.0203 122.8612 50.6334 19.0214 174.1431 64 P 4.9722 0.0000 0.0000 61.0750 33.1793 177.0936 65 A 3.8588 8.3679 123.4171 54.0763 17.7073 178.4185 *69 S 4.2136 8.4412 111.3130 56.8357 64.8687 174.2014 70 G 3.9903 8.4242 110.5018 46.3458 0.0000 172.5486 71 T 4.7960 8.8913 116.7727 61.8196 70.0392 175.2437 72 A 4.8671 8.7763 128.7562 52.2695 20.1471 175.6851 73 L 4.8710 8.7872 118.3983 55.8453 44.3930 173.4229 74 G 4.5662 8.9649 105.9014 45.9862 0.0000 171.9279 75 W 5.6572 8.3883 116.2692 55.9245 31.9038 173.4418 76 T 5.2456 9.2940 116.6750 61.9289 72.6436 173.4248 77 V 4.2974 8.5336 122.6386 61.1714 34.7692 173.9264 78 A 4.3166 8.3269 129.8101 49.9542 19.7942 178.0317 79 W 4.1036 8.4192 125.6021 55.2974 28.1237 176.3248 80 K 5.2614 7.6974 118.1972 54.8381 35.5763 174.7916 81 N 4.7666 8.6057 123.0434 52.2709 39.1046 173.8317 82 N 4.2586 8.3533 113.4646 55.6179 38.8730 175.1302 83 Y 4.8545 8.0051 114.9593 58.6486 40.0051 175.8047 84 R 4.7198 7.8537 116.3923 55.0552 34.3091 173.7710 85 N 4.8481 8.4754 117.8134 52.8967 40.3955 173.7423 86 A 4.3345 9.0230 128.7017 51.7224 19.9515 176.3815 87 H 4.1033 8.8691 114.4468 55.9234 26.8751 172.6466 88 S 5.1935 7.3552 112.6390 58.1413 67.2187 174.4814 89 A 4.7314 8.6725 119.4472 51.2380 22.7643 175.5286 90 T 4.9181 8.5599 119.1069 61.6784 71.8745 173.4276 91 T 4.8734 8.1600 114.7171 59.6021 72.0420 172.6723 92 W 5.0121 8.6546 124.3580 54.8222 32.1643 174.6237 93 S 4.9209 8.7450 118.5663 56.7897 65.2931 173.1521 94 G 4.5211 8.4801 112.4628 46.7509 0.0000 171.7939 95 Q 5.2722 8.3227 117.7098 55.0420 32.8004 173.2348 96 Y 5.0124 9.1777 122.5225 56.2835 40.9664 174.3256 97 V 4.2269 8.5781 126.6147 61.1285 34.2732 175.4507 98 G 3.7615 8.8691 115.9058 44.9876 0.0000 171.2186 99 G 3.8549 8.7089 104.6842 44.0007 0.0000 172.7867 100 A 4.1230 8.7022 122.7334 54.5678 18.3771 178.1148 101 E 4.5298 7.7317 114.2711 53.6409 29.3690 174.5768 102 A 4.5743 8.1838 128.3498 52.9552 19.5988 176.5056 103 R 5.2811 9.2873 117.0195 55.1116 33.9937 174.2241 104 I 4.9712 8.8118 120.5125 59.8146 40.1242 174.3392 105 N 5.2724 8.8360 125.7368 52.4537 40.0023 174.8887 106 T 5.3097 9.3883 113.4521 60.0751 73.1478 172.4164 107 Q 5.1294 8.9745 122.8866 54.0689 32.6873 174.0672 108 W 6.0212 8.3158 120.1328 53.5852 32.4244 173.7503 109 L 5.2076 8.3718 120.1498 52.9826 44.7394 174.9504 110 L 4.9456 9.1804 126.7839 53.7308 44.2941 174.9207 111 T 5.0769 8.7108 123.5008 61.9594 71.1125 173.6791 112 S 5.0775 8.5535 122.3459 56.5952 65.0141 174.4109 113 G 3.8580 8.8153 112.1452 46.5970 0.0000 173.0219 114 T 4.7938 8.3310 114.3377 59.5721 72.4887 173.2182 115 T 4.1849 8.0099 111.6302 60.7625 70.2409 175.3796 116 E 3.9684 8.8377 121.1863 59.6894 29.0940 179.3395 117 A 4.1387 8.1160 119.3316 54.6622 18.6583 178.2499 118 N 4.6413 7.8658 111.4493 53.0082 39.0447 176.5465 119 A 4.1044 8.0599 125.9987 54.1001 18.1463 179.9562 120 W 4.2889 8.1740 113.3007 58.2953 28.5477 176.7940 121 K 4.0874 6.5406 118.5023 56.1420 32.2429 177.4975 122 S 4.1833 7.6357 116.8294 61.0920 63.4700 173.4615 123 T 5.1582 7.6145 117.1515 61.6610 71.0830 173.3781 124 L 4.8242 9.0991 126.7924 53.2008 44.1539 175.9250 125 V 4.3975 7.8737 120.9463 60.3084 34.4728 175.0221 126 G 3.1829 6.5876 108.0284 45.6145 0.0000 171.2291 127 H 5.3943 8.0133 113.8371 53.9076 31.8239 172.6910 128 D 5.1304 9.4603 119.1579 53.0821 45.8091 174.4707 129 T 5.0810 8.7604 118.6509 62.0134 71.2053 173.2137 130 F 5.5624 9.3560 125.8484 56.4090 42.0591 175.0261 131 T 5.4872 9.6894 111.6159 60.4198 72.7261 174.3915 132 K 4.0484 8.8273 118.9775 56.9825 32.3326 177.6805 133 V 3.9387 7.5371 124.5084 62.8714 31.4437 175.0135 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 13 A 8.12 4.32 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 14 E 8.14 3.16 0.00 2.21 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 0.00 2.44 2.68 0.00 15 A 7.94 4.09 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 16 G 8.64 3.79 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 0.00 0.00 0.00 17 I 6.99 3.57 1.46 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.47 0.00 0.00 18 T 7.53 3.84 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 1.10 0.00 0.00 19 G 7.23 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 20 T 7.44 4.80 4.02 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 0.85 0.00 0.00 21 W 8.85 5.22 0.00 3.13 3.23 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 22 Y 9.78 5.49 0.00 3.03 2.93 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 23 N 8.97 5.50 0.00 2.39 1.94 0.00 0.00 6.62 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.75 4.05 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.27 4.44 0.00 1.72 1.77 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 4.07 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 0.00 0.00 0.00 27 S 8.31 4.53 0.00 4.11 3.64 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 28 T 9.03 4.92 4.19 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 1.04 0.00 0.00 29 F 9.23 5.06 0.00 2.66 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 30 I 8.53 4.43 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.66 0.76 0.00 0.00 31 V 8.50 4.61 0.67 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 0.56 0.00 0.00 0.01 0.00 0.00 32 T 8.91 4.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 33 A 8.67 4.82 0.78 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 0.00 0.00 34 G 9.28 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 35 A 8.72 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.90 4.51 0.00 2.65 2.69 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 37 G 7.89 3.43 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 0.00 38 A 8.03 4.74 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.90 5.32 0.00 1.80 1.59 0.71 0.62 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 40 T 9.26 5.00 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 1.21 0.00 0.00 41 G 7.01 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 0.00 0.00 0.00 42 T 7.56 5.22 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 1.20 0.00 0.00 43 Y 9.35 5.31 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.17 5.94 0.00 2.12 2.15 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 2.19 2.08 0.00 45 S 9.26 4.35 0.00 4.06 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 *52 S 7.55 4.30 0.00 4.11 4.19 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 53 R 8.20 5.05 0.00 1.81 1.83 0.00 3.19 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 54 Y 8.99 4.85 0.00 3.02 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 55 V 8.53 4.47 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 0.80 0.00 0.00 0.93 0.00 0.00 56 L 8.78 5.32 0.00 2.05 1.79 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 4.91 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 1.25 0.00 0.00 58 G 8.67 4.46 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 0.00 59 R 8.52 5.60 0.00 1.73 1.79 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.62 5.28 0.00 3.09 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 61 D 9.00 4.38 0.00 2.88 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 62 S 8.27 4.46 0.00 3.98 3.39 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 63 A 8.02 4.68 1.22 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 64 P 0.00 4.97 0.00 2.27 2.19 0.00 3.44 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 2.08 2.06 0.00 65 A 8.37 3.86 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 *69 S 8.44 4.21 0.00 3.94 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 70 G 8.42 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 71 T 8.89 4.80 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 72 A 8.78 4.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.79 4.87 0.00 2.07 1.94 1.18 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.96 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 5.66 0.00 3.54 3.30 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 76 T 9.29 5.25 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 1.14 0.00 0.00 77 V 8.53 4.30 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 -0.25 0.00 0.00 0.91 0.00 0.00 78 A 8.33 4.32 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.42 4.10 0.00 3.29 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 80 K 7.70 5.26 0.00 1.87 1.68 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 81 N 8.61 4.77 0.00 2.54 2.41 0.00 0.00 7.05 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 82 N 8.35 4.26 0.00 1.62 2.32 0.00 0.00 6.63 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 Y 8.01 4.85 0.00 3.08 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 84 R 7.85 4.72 0.00 2.06 1.93 0.00 3.36 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 85 N 8.48 4.85 0.00 2.63 2.59 0.00 0.00 6.92 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.02 4.33 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.87 4.10 0.00 3.25 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.36 5.19 0.00 3.97 3.97 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 89 A 8.67 4.73 1.14 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 90 T 8.56 4.92 3.38 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 -0.35 0.00 0.00 91 T 8.16 4.87 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 1.13 0.00 0.00 92 W 8.65 5.01 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.74 4.92 0.00 3.82 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 94 G 8.48 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 0.00 0.00 0.00 0.00 95 Q 8.32 5.27 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.18 5.01 0.00 3.01 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 97 V 8.58 4.23 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 0.93 0.00 0.00 0.91 0.00 0.00 98 G 8.87 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 99 G 8.71 3.85 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 0.00 0.00 0.00 100 A 8.70 4.12 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 0.00 101 E 7.73 4.53 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 2.30 0.00 102 A 8.18 4.57 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 0.00 0.00 103 R 9.29 5.28 0.00 2.04 2.47 0.00 2.81 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 104 I 8.81 4.97 1.81 0.00 0.00 -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 1.10 -0.14 1.08 0.00 0.00 105 N 8.84 5.27 0.00 2.73 2.81 0.00 0.00 6.16 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 0.00 106 T 9.39 5.31 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 1.48 0.00 0.00 107 Q 8.97 5.13 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 108 W 8.32 6.02 0.00 2.64 2.32 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 0.00 109 L 8.37 5.21 0.00 1.51 1.54 0.87 0.32 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 0.00 110 L 9.18 4.95 0.00 1.53 1.70 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.71 5.08 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 0.00 112 S 8.55 5.08 0.00 3.71 3.74 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 0.00 113 G 8.82 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 0.00 114 T 8.33 4.79 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 1.17 0.00 0.00 115 T 8.01 4.18 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 1.20 0.00 0.00 116 E 8.84 3.97 0.00 2.09 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 0.00 2.42 2.46 0.00 117 A 8.12 4.14 1.35 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 0.00 118 N 7.87 4.64 0.00 2.65 2.62 0.00 0.00 6.84 8.16 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 0.00 119 A 8.06 4.10 1.40 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 0.00 0.00 120 W 8.17 4.29 0.00 3.63 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 0.00 121 K 6.54 4.09 0.00 1.12 0.74 0.00 1.20 0.00 0.00 1.04 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.80 7.81 122 S 7.64 4.18 0.00 3.91 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 0.00 123 T 7.61 5.16 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 124 L 9.10 4.82 0.00 1.80 1.70 0.96 0.55 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 0.00 125 V 7.87 4.40 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 0.56 0.00 0.00 0.69 0.00 0.00 126 G 6.59 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 0.00 0.00 0.00 127 H 8.01 5.39 0.00 3.17 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.46 5.13 0.00 3.03 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 0.00 0.00 0.00 129 T 8.76 5.08 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 1.39 0.00 0.00 130 F 9.36 5.56 0.00 3.08 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 0.00 131 T 9.69 5.49 4.43 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 1.41 0.00 0.00 132 K 8.83 4.05 0.00 1.51 1.57 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.14 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.29 7.81 133 V 7.54 3.94 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 0.72 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.