NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3243 0.0000 0.0000 61.8955 32.5815 175.8453 3 K 3.8768 8.5073 119.8674 55.4864 32.3308 175.2723 4 K 3.9801 9.0426 127.2853 57.2474 33.7390 175.1914 5 V 5.0535 8.2564 123.8192 61.3124 34.8103 174.1845 6 L 4.9457 8.8130 125.0114 53.2376 46.6814 175.2637 7 T 5.2893 7.5556 109.5877 59.1741 71.4368 173.2362 8 G 4.5695 8.2829 110.9964 46.6420 0.0000 171.0683 9 V 4.8983 8.0070 119.1164 60.8619 34.0043 174.9793 10 V 4.1393 8.6705 128.3731 63.2154 32.1161 176.4029 11 V 4.4026 8.5254 120.5462 60.8309 32.8437 175.7501 12 S 4.6384 7.3241 112.1452 57.7110 65.3915 175.9501 13 D 5.0489 8.9400 124.6466 52.9742 40.0767 177.1550 14 K 4.4380 7.5275 118.7761 56.5643 31.0007 176.9222 15 M 4.8450 7.6469 116.6146 53.4087 36.2003 174.9796 16 Q 4.2879 8.7422 121.7911 57.0458 29.2290 176.0983 17 K 4.6578 8.9720 120.9021 56.3295 29.9387 174.4875 18 T 5.2696 7.5162 111.9447 62.6619 73.1018 173.6210 19 V 4.6892 8.6255 114.9796 60.5749 37.0137 174.8401 20 T 4.8153 8.9407 120.9192 62.2769 69.3476 173.1556 21 V 4.4053 8.6326 127.5639 61.5724 33.1586 174.3770 22 L 4.8200 8.9553 130.8405 54.0272 44.0522 175.2777 23 V 4.6468 8.9271 125.3447 61.0746 34.2860 174.8415 24 E 4.5476 8.8708 127.1467 56.6566 30.8695 177.1345 25 R 4.4537 8.6044 122.1308 56.0704 32.4560 174.1283 26 Q 4.6978 8.4857 125.0467 54.8790 30.9641 174.8657 27 F 4.7980 7.4257 113.9847 55.8808 41.4345 171.3574 28 P 5.0058 0.0000 0.0000 62.5688 32.2988 175.9056 29 H 4.4976 9.4699 125.6704 55.2844 30.3107 174.2164 30 P 4.3727 0.0000 0.0000 65.2565 30.9305 176.6464 31 L 4.7012 7.8616 116.2831 55.0599 43.9821 176.1017 32 Y 5.0806 8.0351 115.3111 57.9150 39.6383 178.0971 33 G 3.7017 8.3465 114.7026 44.9994 0.0000 177.7772 34 K 3.3276 8.6518 120.4279 57.0138 31.1333 172.8803 35 V 4.5525 8.1852 125.8296 61.9065 31.7427 174.5629 36 I 4.3375 8.0446 122.6183 59.1455 39.7183 175.8520 37 K 4.2095 8.2301 124.7477 55.7262 34.1722 175.8540 38 R 4.4908 7.7349 116.1379 55.8810 33.9374 173.4318 39 S 5.4193 8.8912 120.1192 56.7822 66.2642 172.9921 40 K 4.6369 8.8104 120.7561 55.1152 35.8317 174.6658 41 K 5.1174 8.4971 125.2121 55.0873 34.2775 175.2321 42 Y 4.6961 9.1415 120.8911 56.2301 42.2971 174.9438 43 L 5.0187 8.7257 122.3858 53.5455 42.3326 176.1606 44 A 4.8083 8.7309 126.5807 51.4534 20.8050 175.1760 45 H 4.9017 8.9959 119.9448 55.2543 31.6781 173.9295 46 D 5.0004 8.8789 125.7408 51.4056 40.8899 173.8459 47 P 4.2009 0.0000 0.0000 65.1275 31.7729 178.0515 48 E 4.1733 8.1839 115.1929 56.3205 30.0765 176.5997 49 E 4.0219 7.3814 118.1184 57.7001 26.5007 175.4350 50 K 4.2654 8.0034 117.9826 56.6936 34.6583 176.1422 51 Y 4.4051 8.1245 118.5028 56.3886 38.4753 175.3704 52 K 4.5251 8.2371 125.4603 54.7845 35.2966 175.7383 53 L 4.0480 8.3331 120.0339 56.4182 42.4790 176.4057 54 G 3.9831 8.6564 109.4035 46.8863 0.0000 172.6508 55 D 5.2926 7.9638 117.9924 52.1869 44.2201 176.0424 56 V 4.5146 8.5787 122.8557 62.0253 32.8802 174.7049 57 V 5.1188 8.5197 122.6690 59.5264 35.8584 174.3385 58 E 5.7292 8.3883 118.2175 54.2399 33.6798 175.4017 59 I 5.5078 8.0663 121.6443 58.4665 41.9195 173.8681 60 I 4.8363 8.1658 124.4589 58.8442 40.7945 173.8103 61 E 3.0649 9.1246 130.2392 57.0341 29.5053 176.1875 62 S 4.6654 7.7286 123.1838 56.2326 65.6465 174.2369 63 R 3.9612 8.4391 121.3038 55.5588 30.3955 173.8579 64 P 4.1099 0.0000 0.0000 62.5561 31.9150 175.8059 65 I 4.3951 7.9404 121.4204 60.4534 39.4211 175.5855 66 S 4.5964 7.5831 113.5951 57.4121 64.0673 176.1173 67 K 3.7786 8.7492 122.5418 57.0281 32.4574 175.9563 68 R 3.4641 8.2381 118.9303 56.3917 28.0500 177.2084 69 K 4.5780 7.0015 115.4228 56.2373 33.7340 173.8052 70 R 4.6276 8.1350 127.8173 55.3574 32.0386 174.6216 71 F 5.5846 8.2541 115.2028 55.1317 44.2579 173.8204 72 R 4.8671 8.4621 119.4938 54.0590 33.6297 174.5640 73 V 3.1926 8.0194 124.1363 63.3378 30.5013 175.3947 74 L 4.1397 9.0881 129.8331 56.9644 41.5147 176.5637 75 R 4.8334 7.3835 112.4533 54.9411 33.2222 173.5771 76 L 4.4294 8.6267 122.8420 55.1215 43.2409 174.6996 77 V 4.4822 8.7300 118.8666 62.5915 32.8908 174.4132 78 E 4.6960 7.9552 115.1368 54.4882 33.3924 174.4384 79 S 4.7574 9.8289 118.1300 60.0746 62.6254 171.5036 80 G 3.2883 7.3223 116.3155 45.1010 0.0000 173.1796 81 R 5.0362 7.6500 129.6552 53.9667 31.9171 177.2845 82 M 4.0552 8.5654 120.1297 58.5913 31.8236 177.5035 83 D 4.3406 8.1592 118.7958 56.6599 39.3601 178.3497 84 L 3.9392 7.7821 120.9990 57.3707 41.6704 179.7440 85 V 3.7125 7.9419 117.1951 66.2303 31.2075 177.6373 86 E 3.9677 8.6192 118.5979 59.2367 29.2885 179.1989 87 K 3.9481 7.9219 118.4627 59.8406 32.3378 178.4812 88 Y 4.2387 8.0876 118.8793 60.8183 38.5875 178.1397 89 L 3.6472 8.2403 119.9188 57.9505 41.8232 179.4123 90 I 3.6006 8.4308 120.2485 64.5615 36.7507 178.7321 91 R 3.7137 7.7483 118.1105 58.9384 30.1294 178.7048 92 R 3.3187 7.2884 117.9762 59.4672 30.1129 178.2986 93 Q 4.0103 8.0980 117.9972 59.4043 28.5968 178.9386 94 N 4.2483 8.0499 117.1158 56.4742 38.4531 176.6437 95 Y 4.4122 8.1547 118.5747 62.1143 37.8103 179.0434 96 E 3.7945 7.8494 118.4585 59.0341 30.3671 178.8798 97 S 4.4330 8.0091 113.8695 60.1865 63.3784 175.7495 98 L 4.2699 8.1937 122.4223 57.2761 41.3428 177.3515 99 S 4.3690 7.7980 112.7928 58.8879 64.2158 174.5067 100 K 4.4738 7.5488 123.6998 54.9262 33.2910 177.4358 *101 R 4.1415 7.7976 120.6256 56.5062 30.0213 177.3342 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 2 P 0.00 4.32 0.00 2.20 2.12 0.00 3.74 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 1.89 2.00 0.00 3 K 8.51 3.88 0.00 1.74 1.81 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 K 9.04 3.98 0.00 1.99 1.85 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.51 7.81 5 V 8.26 5.05 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 1.01 0.00 0.00 6 L 8.81 4.95 0.00 1.10 1.11 -0.04 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.56 5.29 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 1.16 0.00 0.00 8 G 8.28 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 9 V 8.01 4.90 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 1.00 0.00 0.00 0.91 0.00 0.00 10 V 8.67 4.14 2.20 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 0.90 0.00 0.00 1.04 0.00 0.00 11 V 8.53 4.40 2.18 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 0.43 0.00 0.00 0.82 0.00 0.00 12 S 7.32 4.64 0.00 3.94 3.70 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 13 D 8.94 5.05 0.00 2.81 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 14 K 7.53 4.44 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.65 4.84 0.00 2.04 1.91 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 2.61 2.57 0.00 16 Q 8.74 4.29 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 8.97 4.66 0.00 2.01 1.90 0.00 1.96 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 18 T 7.52 5.27 4.28 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 1.30 0.00 0.00 19 V 8.63 4.69 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 0.91 0.00 0.00 20 T 8.94 4.82 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 21 V 8.63 4.41 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 0.85 0.00 0.00 0.87 0.00 0.00 22 L 8.96 4.82 0.00 1.47 1.45 0.86 0.33 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 23 V 8.93 4.65 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 0.87 0.00 0.00 0.73 0.00 0.00 24 E 8.87 4.55 0.00 1.88 1.86 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 2.30 2.29 0.00 25 R 8.60 4.45 0.00 1.95 2.01 0.00 3.17 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 26 Q 8.49 4.70 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 27 F 7.43 4.80 0.00 3.08 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 28 P 0.00 5.01 0.00 2.07 2.11 0.00 3.85 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 2.10 2.15 0.00 29 H 9.47 4.50 0.00 3.20 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.37 0.00 2.13 2.12 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 31 L 7.86 4.70 0.00 1.57 1.35 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.04 5.08 0.00 2.72 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 33 G 8.35 3.70 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 0.00 0.00 0.00 34 K 8.65 3.33 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.40 7.81 35 V 8.19 4.55 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 0.83 0.00 0.00 0.94 0.00 0.00 36 I 8.04 4.34 1.71 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 0.72 -0.08 0.88 0.00 0.00 37 K 8.23 4.21 0.00 1.59 1.74 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 38 R 7.73 4.49 0.00 1.91 1.80 0.00 3.21 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 39 S 8.89 5.42 0.00 3.88 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 40 K 8.81 4.64 0.00 1.84 1.75 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.82 1.20 7.81 41 K 8.50 5.12 0.00 1.59 1.63 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 1.34 7.81 42 Y 9.14 4.70 0.00 2.60 2.68 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 43 L 8.73 5.02 0.00 1.76 1.70 1.02 0.85 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 44 A 8.73 4.81 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 45 H 9.00 4.90 0.00 3.28 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.88 5.00 0.00 2.74 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 47 P 0.00 4.20 0.00 2.25 2.24 0.00 3.74 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 48 E 8.18 4.17 0.00 2.00 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 2.29 2.36 0.00 49 E 7.38 4.02 0.00 2.05 2.18 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 2.47 2.25 0.00 50 K 8.00 4.27 0.00 1.56 1.76 0.00 1.26 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 0.40 7.81 51 Y 8.12 4.41 0.00 3.10 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 52 K 8.24 4.53 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.36 7.81 53 L 8.33 4.05 0.00 1.64 1.64 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.66 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 55 D 7.96 5.29 0.00 2.80 2.65 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 56 V 8.58 4.51 2.17 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 0.95 0.00 0.00 0.99 0.00 0.00 57 V 8.52 5.12 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 0.69 0.00 0.00 0.87 0.00 0.00 58 E 8.39 5.73 0.00 1.80 1.73 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 2.26 2.07 0.00 59 I 8.07 5.51 1.86 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 1.09 1.68 0.99 0.00 0.00 60 I 8.17 4.84 1.89 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 1.20 1.46 0.98 0.00 0.00 61 E 9.12 3.06 0.00 2.04 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 2.11 1.99 0.00 62 S 7.73 4.67 0.00 3.68 3.70 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 63 R 8.44 3.96 0.00 1.72 1.78 0.00 3.40 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.11 0.00 2.05 1.95 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 65 I 7.94 4.40 1.84 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 1.27 0.76 0.81 0.00 0.00 66 S 7.58 4.60 0.00 3.98 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 67 K 8.75 3.78 0.00 1.74 1.80 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 68 R 8.24 3.46 0.00 1.87 2.09 0.00 3.37 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 69 K 7.00 4.58 0.00 1.82 1.91 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.68 7.81 70 R 8.13 4.63 0.00 1.77 1.48 0.00 3.18 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 71 F 8.25 5.58 0.00 2.95 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 72 R 8.46 4.87 0.00 1.73 1.81 0.00 3.17 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 73 V 8.02 3.19 1.53 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 -0.65 0.00 0.00 0.71 0.00 0.00 74 L 9.09 4.14 0.00 1.68 1.61 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.38 4.83 0.00 1.95 2.02 0.00 3.04 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 76 L 8.63 4.43 0.00 1.99 1.76 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.73 4.48 2.26 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 0.86 0.00 0.00 0.95 0.00 0.00 78 E 7.96 4.70 0.00 2.03 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 2.25 2.28 0.00 79 S 9.83 4.76 0.00 3.84 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 80 G 7.32 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 0.00 0.00 0.00 81 R 7.65 5.04 0.00 1.83 1.94 0.00 3.86 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 82 M 8.57 4.06 0.00 2.04 2.16 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 2.71 2.59 0.00 83 D 8.16 4.34 0.00 2.87 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 L 7.78 3.94 0.00 1.83 1.79 0.92 0.81 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 85 V 7.94 3.71 2.27 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 1.26 0.00 0.00 1.05 0.00 0.00 86 E 8.62 3.97 0.00 2.20 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 2.57 2.51 0.00 87 K 7.92 3.95 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.62 7.81 88 Y 8.09 4.24 0.00 3.00 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 89 L 8.24 3.65 0.00 1.81 1.62 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.43 3.60 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.84 0.91 0.00 0.00 91 R 7.75 3.71 0.00 1.89 1.76 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 92 R 7.29 3.32 0.00 1.58 1.96 0.00 3.06 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 93 Q 8.10 4.01 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 94 N 8.05 4.25 0.00 2.85 2.77 0.00 0.00 7.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.15 4.41 0.00 3.04 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 96 E 7.85 3.79 0.00 2.07 2.03 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 2.34 2.44 0.00 97 S 8.01 4.43 0.00 4.05 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 98 L 8.19 4.27 0.00 1.89 1.86 0.96 0.84 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 99 S 7.80 4.37 0.00 4.03 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 0.00 100 K 7.55 4.47 0.00 1.70 1.75 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.35 7.81 *101 R 7.80 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.