NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7279 8.1633 118.3348 55.1831 33.4059 173.7987 2 K 4.6182 8.9188 118.9419 53.6554 36.6001 173.5346 3 K 4.7038 9.5196 125.2613 55.3915 34.4871 175.0876 4 V 4.7280 8.9428 127.9170 61.2474 34.0524 173.8131 5 E 5.0901 9.4104 130.5489 54.6394 31.5879 174.0937 6 A 4.9142 9.0964 130.2223 50.2800 21.7103 175.3035 7 I 4.7884 8.9294 124.5825 59.6862 38.9580 174.9167 8 I 4.7857 8.4982 120.5553 58.3217 41.6103 175.2711 9 R 4.0341 8.0956 121.5362 55.3958 30.6876 176.0433 10 P 4.1425 0.0000 0.0000 65.7809 31.3831 178.1009 11 F 4.5222 7.7071 109.4849 58.1726 37.9372 176.0654 12 K 4.4174 7.8002 121.2125 56.2760 32.2608 177.5856 13 L 3.9166 7.7219 122.7173 58.3006 41.9731 178.3781 14 D 4.3667 8.1411 118.2373 56.7154 39.2796 178.2139 15 E 3.9377 8.1582 119.7142 59.0275 29.4794 179.4561 16 V 3.5834 8.1063 118.5327 65.6658 31.5005 177.8138 17 K 3.8637 8.5745 119.7672 59.7041 31.9588 178.6970 18 I 3.6654 7.7875 119.6971 64.3875 37.0399 178.2773 19 A 3.9831 7.9199 121.2392 55.2013 18.1308 179.7433 20 L 3.9635 8.2037 117.7328 57.7558 41.6856 179.9196 21 V 3.5781 8.0504 118.4487 66.1996 31.3097 177.9644 22 N 4.4077 8.2556 114.8688 55.9092 38.4458 176.4738 23 A 4.2975 7.8168 119.8150 52.4347 18.7032 178.1786 24 G 3.8688 7.9496 105.9371 45.1229 0.0000 173.7075 25 I 3.9683 7.8391 121.4484 60.5080 37.6267 175.7649 26 V 4.1700 8.6342 118.9236 61.5733 32.9373 175.7329 27 G 4.0130 10.5615 113.1806 46.1556 0.0000 171.5745 28 M 5.0254 7.9638 118.4054 54.2752 34.2532 173.7502 29 T 4.6482 8.6527 110.5482 59.9494 71.5018 172.8804 30 V 5.0562 8.4512 125.4066 61.2474 34.0282 174.5107 31 S 4.7578 8.7712 120.0209 57.0211 66.8761 172.5640 32 E 4.8265 8.6723 120.7363 56.0457 30.4261 176.1340 33 V 4.6390 9.0160 116.4659 60.0080 37.1266 174.0568 34 R 4.9767 8.6881 120.5385 54.5789 32.2729 175.8443 35 G 4.1426 9.2473 112.4996 44.9463 0.0000 172.2330 36 F 5.1227 9.2437 124.7842 56.1872 40.6043 176.1132 37 G 4.1907 8.2048 117.1131 45.2099 0.0000 174.6270 38 R 4.2427 8.6224 122.4571 58.0073 31.2210 173.0459 *54 E 4.6767 8.4531 116.7612 56.9912 32.7429 182.1786 55 F 4.8377 9.0538 107.8098 55.5241 41.1932 175.7116 56 L 4.7057 8.5850 120.2662 52.7223 45.4973 175.9935 57 Q 4.5895 8.6772 121.6500 56.2562 29.5702 175.4828 58 K 4.7808 9.3235 121.8559 55.1509 37.7042 174.6988 59 L 5.1886 8.8896 120.8072 52.9633 45.1283 175.7416 60 K 4.8548 9.3859 124.8864 54.9705 34.3310 174.8230 61 I 4.9974 9.0151 128.4849 59.5560 39.9993 174.2623 62 E 5.3236 9.1394 126.8032 54.5397 32.4159 175.2826 63 I 4.9435 8.7489 116.6487 59.4618 42.0158 173.7925 64 V 4.9359 8.2823 121.3268 61.1480 34.2097 174.6737 65 V 4.5736 8.6782 126.1971 60.9056 35.2771 174.6626 66 D 4.8608 8.8247 126.2550 54.2099 41.5718 176.8626 67 E 3.8206 9.4870 124.6944 59.6806 29.6420 179.6759 68 G 3.7960 8.0609 104.4876 47.1288 0.0000 174.1301 69 Q 4.5536 8.1903 118.2593 55.2260 29.6176 177.3231 70 V 3.5693 7.4827 120.9043 66.2931 31.6421 177.4752 71 D 4.3500 8.0783 117.9352 57.5407 40.6848 178.4513 72 M 3.9940 7.9393 118.0059 58.7080 32.3285 178.2266 73 V 3.5712 7.9555 118.5333 66.0916 31.6168 178.1582 74 V 3.5804 8.1365 118.2592 65.9928 31.3158 177.7571 75 D 4.3400 8.2625 118.7845 57.2892 40.6395 178.9292 76 K 4.0019 8.0939 119.0845 59.2463 32.0282 179.2113 77 L 3.9276 8.1620 120.8865 58.0046 42.0153 179.2128 78 V 3.5461 8.0173 118.3646 66.2506 31.3067 178.1665 79 S 4.1359 7.8609 113.2626 61.5709 62.6881 176.3209 80 A 4.1381 7.8725 122.4766 54.7865 18.3345 179.0290 81 A 4.1168 7.9705 117.6465 52.9684 19.2564 178.0936 82 R 4.2133 7.4557 117.9942 56.5513 30.7049 176.1997 83 T 4.4787 9.5528 112.7682 60.7433 70.5525 175.2331 84 G 3.9925 8.9373 109.3952 44.9003 0.0000 172.9734 85 E 4.5945 7.5025 118.5683 54.2722 31.2089 176.0688 86 I 3.6195 8.1188 122.4168 63.4468 36.3962 176.3737 87 G 4.0881 8.9741 112.8729 45.8359 0.0000 174.9320 88 D 4.1540 7.9199 119.8961 55.2563 41.2767 176.7718 89 G 4.1440 9.0677 104.6579 45.6662 0.0000 171.9292 90 K 4.4845 7.7945 115.7158 56.1332 36.0302 174.4222 91 I 4.7978 8.0106 120.5287 59.4732 40.2761 175.0135 92 F 5.2483 9.3147 125.6314 55.9544 41.2210 174.6290 93 I 5.1185 8.6027 124.4446 59.5936 39.2494 175.0002 94 S 4.8979 9.0010 120.9559 55.7044 67.0283 171.5038 95 P 4.8108 0.0000 0.0000 62.7773 32.1807 175.7734 96 V 4.3970 7.9223 120.7390 61.6162 33.8194 175.2444 97 D 4.5124 9.0213 127.6698 57.1396 41.2273 176.1593 98 S 4.7916 7.2152 109.7579 57.7346 65.7558 175.1419 99 V 4.4372 8.3845 120.1398 61.0348 34.3337 174.1126 100 V 4.8080 8.3937 127.2253 61.1113 33.7051 174.8207 101 R 4.2123 9.1897 128.1116 55.5572 30.3901 177.5466 102 I 3.6395 8.6550 126.0069 64.4604 37.5343 177.5771 103 R 4.0260 8.2238 119.1307 59.0613 29.8621 177.0024 104 T 4.3047 7.8410 104.0109 60.6525 69.9128 175.1047 105 G 3.9016 8.5081 110.6668 45.5832 0.0000 173.3658 106 E 4.1020 7.8866 119.4769 56.0532 30.6586 175.6120 107 K 4.9506 8.6673 125.2578 54.7414 34.2928 174.5267 108 D 5.1366 9.3383 128.0271 52.8653 43.0897 175.6477 109 T 4.9455 8.4104 112.2350 60.0009 72.7763 173.5614 110 E 4.1796 8.4017 121.0782 56.5648 29.9154 174.5415 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 1 M 8.16 4.73 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 2 K 8.92 4.62 0.00 1.66 1.78 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.61 7.81 3 K 9.52 4.70 0.00 1.85 1.69 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 V 8.94 4.73 2.09 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 0.89 0.00 0.00 0.95 0.00 0.00 5 E 9.41 5.09 0.00 2.14 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 2.23 2.28 0.00 6 A 9.10 4.91 1.16 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 7 I 8.93 4.79 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.74 0.86 0.00 0.00 8 I 8.50 4.79 1.74 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 1.30 1.22 0.83 0.00 0.00 9 R 8.10 4.03 0.00 1.08 0.81 0.00 2.83 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 10 P 0.00 4.14 0.00 2.19 2.12 0.00 3.42 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 11 F 7.71 4.52 0.00 3.03 3.17 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 12 K 7.80 4.42 0.00 1.75 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.07 1.04 7.81 13 L 7.72 3.92 0.00 1.85 1.68 0.91 1.16 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 14 D 8.14 4.37 0.00 3.00 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 15 E 8.16 3.94 0.00 2.23 2.06 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 2.43 2.40 0.00 16 V 8.11 3.58 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 1.05 0.00 0.00 0.92 0.00 0.00 17 K 8.57 3.86 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 7.79 3.67 2.03 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 1.46 0.61 0.91 0.00 0.00 19 A 7.92 3.98 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 20 L 8.20 3.96 0.00 1.82 1.73 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.05 3.58 2.21 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 1.03 0.00 0.00 1.00 0.00 0.00 22 N 8.26 4.41 0.00 2.86 2.87 0.00 0.00 7.08 8.05 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 23 A 7.82 4.30 1.37 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 0.00 0.00 0.00 24 G 7.95 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 0.00 0.00 0.00 25 I 7.84 3.97 2.00 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 1.30 0.86 0.91 0.00 0.00 26 V 8.63 4.17 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 10.56 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 0.00 0.00 0.00 28 M 7.96 5.03 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 29 T 8.65 4.65 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 1.22 0.00 0.00 30 V 8.45 5.06 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 0.85 0.00 0.00 0.93 0.00 0.00 31 S 8.77 4.76 0.00 3.91 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 32 E 8.67 4.83 0.00 1.89 1.94 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 2.29 2.34 0.00 33 V 9.02 4.64 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 0.77 0.00 0.00 0.99 0.00 0.00 34 R 8.69 4.98 0.00 1.74 1.69 0.00 2.21 0.00 0.00 2.73 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 35 G 9.25 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 0.00 0.00 0.00 0.00 36 F 9.24 5.12 0.00 2.89 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 37 G 8.20 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 0.00 0.00 0.00 38 R 8.62 4.24 0.00 1.85 1.83 0.00 3.30 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *54 E 8.45 4.68 0.00 1.68 1.54 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 0.00 2.21 1.89 0.00 55 F 9.05 4.84 0.00 1.51 1.76 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 56 L 8.58 4.71 0.00 1.53 1.49 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.68 4.59 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 58 K 9.32 4.78 0.00 1.62 1.64 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.37 7.81 59 L 8.89 5.19 0.00 1.49 1.49 0.95 0.84 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 60 K 9.39 4.85 0.00 1.79 1.67 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 61 I 9.02 5.00 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 1.21 0.44 0.90 0.00 0.00 62 E 9.14 5.32 0.00 1.89 1.83 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 2.24 2.23 0.00 63 I 8.75 4.94 1.87 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 1.27 1.28 0.96 0.00 0.00 64 V 8.28 4.94 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 65 V 8.68 4.57 2.09 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 1.00 0.00 0.00 0.94 0.00 0.00 66 D 8.82 4.86 0.00 2.95 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 67 E 9.49 3.82 0.00 2.38 1.96 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 2.32 2.36 0.00 68 G 8.06 3.80 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 0.00 0.00 0.00 69 Q 8.19 4.55 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 70 V 7.48 3.57 2.09 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 1.13 0.00 0.00 1.02 0.00 0.00 71 D 8.08 4.35 0.00 2.73 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 72 M 7.94 3.99 0.00 2.16 2.06 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 2.67 2.54 0.00 73 V 7.96 3.57 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 1.01 0.00 0.00 1.02 0.00 0.00 74 V 8.14 3.58 2.14 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 1.06 0.00 0.00 0.96 0.00 0.00 75 D 8.26 4.34 0.00 2.96 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 76 K 8.09 4.00 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.59 7.81 77 L 8.16 3.93 0.00 1.88 1.64 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.02 3.55 2.21 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 0.97 0.00 0.00 0.93 0.00 0.00 79 S 7.86 4.14 0.00 4.03 3.92 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 80 A 7.87 4.14 1.37 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 0.00 0.00 0.00 81 A 7.97 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 82 R 7.46 4.21 0.00 1.91 1.86 0.00 3.20 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 83 T 9.55 4.48 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 1.34 0.00 0.00 84 G 8.94 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 85 E 7.50 4.59 0.00 2.01 1.89 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 2.30 2.43 0.00 86 I 8.12 3.62 1.87 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 1.35 0.47 0.91 0.00 0.00 87 G 8.97 4.09 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 0.00 88 D 7.92 4.15 0.00 2.66 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 89 G 9.07 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 0.00 0.00 0.00 0.00 90 K 7.79 4.48 0.00 1.64 1.79 0.00 1.45 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 0.89 7.81 91 I 8.01 4.80 1.83 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 1.26 0.59 0.95 0.00 0.00 92 F 9.31 5.25 0.00 2.92 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 93 I 8.60 5.12 1.92 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 1.44 0.65 0.94 0.00 0.00 94 S 9.00 4.90 0.00 3.83 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 95 P 0.00 4.81 0.00 2.10 2.09 0.00 3.70 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 1.98 1.95 0.00 96 V 7.92 4.40 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 97 D 9.02 4.51 0.00 2.71 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 98 S 7.22 4.79 0.00 3.90 3.78 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 99 V 8.38 4.44 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 0.76 0.00 0.00 0.93 0.00 0.00 100 V 8.39 4.81 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 0.88 0.00 0.00 0.93 0.00 0.00 101 R 9.19 4.21 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 102 I 8.66 3.64 1.87 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 1.30 0.47 0.91 0.00 0.00 103 R 8.22 4.03 0.00 1.77 1.96 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.84 4.30 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 1.21 0.00 0.00 105 G 8.51 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 0.00 106 E 7.89 4.10 0.00 2.01 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 2.29 2.37 0.00 107 K 8.67 4.95 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 108 D 9.34 5.14 0.00 2.57 2.55 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 0.00 109 T 8.41 4.95 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 1.26 0.00 0.00 110 E 8.40 4.18 0.00 1.89 1.78 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 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.