NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4268 8.3044 120.3260 55.6030 32.6673 173.8602 2 M 4.5899 8.2155 123.8408 53.1492 35.3601 172.6501 3 I 4.9917 9.0928 125.7381 59.6272 40.5341 174.6996 4 R 4.7113 9.3369 125.1405 54.3361 34.2561 174.4834 5 G 4.3731 8.7139 109.0566 44.9472 0.0000 172.9474 6 I 4.6116 9.0820 125.1410 59.2936 40.1202 175.5021 7 R 5.0460 8.3890 127.4257 55.2879 32.1330 174.8122 8 G 4.5707 8.0993 106.0090 45.4175 0.0000 172.0937 9 A 5.1221 7.8222 120.4773 51.7068 22.8901 174.9995 10 T 5.0434 8.4155 113.8485 61.7477 71.6375 172.0337 11 T 5.2653 8.3194 112.3408 60.0342 71.9341 173.5261 12 V 4.4560 8.0696 115.0896 59.7419 34.1812 175.8332 13 E 4.1304 9.9185 124.7391 58.2583 29.8777 177.3237 14 R 4.6776 8.0371 115.3464 54.2129 33.5776 175.5137 15 D 4.6430 8.4301 121.2331 53.3812 39.9472 175.5753 16 T 4.7069 7.6135 113.4451 58.2110 73.4205 173.9780 17 E 3.8883 8.7973 123.6293 59.7012 29.7285 178.9270 18 E 3.9271 8.1559 117.8088 59.7563 29.6214 179.0125 19 E 3.9693 7.9362 119.0049 59.0853 29.6443 178.8675 20 I 3.6857 7.8650 119.9715 64.4822 37.2360 178.4516 21 L 3.9790 8.2051 120.1036 57.5600 41.3366 179.4257 22 Q 3.8867 7.9718 119.3126 59.3527 29.1294 178.5707 23 K 4.0108 8.1631 119.4116 59.4973 32.0589 179.6812 24 T 3.8702 8.1099 116.4310 66.2860 68.3566 176.6888 25 K 3.8191 8.0338 121.6455 59.5549 32.3563 178.6703 26 Q 3.9198 8.2126 119.9294 58.8616 28.9264 178.0197 27 L 3.8746 7.9676 121.4135 58.2260 42.1457 179.0218 28 L 3.9057 7.8047 118.9057 57.7754 41.4631 179.4113 29 E 3.8931 8.2036 118.5857 59.1202 29.2309 179.6093 30 K 3.9592 7.9079 118.4078 59.3333 32.1157 179.4841 31 I 3.6313 7.7253 119.9851 64.4407 37.0646 178.4597 32 I 3.7758 8.0054 121.2023 64.4200 36.7395 178.4035 33 E 3.9788 8.0498 117.0967 59.5878 29.6085 178.7837 34 E 4.0403 8.3337 118.7327 58.0287 29.5781 177.9314 35 N 4.7449 7.8364 113.4308 51.8572 39.9666 174.0068 36 H 4.1244 7.9287 116.5081 56.9759 26.8677 175.2979 37 T 4.1763 8.0664 115.6895 63.2649 69.0486 174.8511 38 K 4.5173 8.4628 126.3977 54.3690 33.7312 176.1641 39 P 3.1068 0.0000 0.0000 65.2709 31.2144 178.4260 40 E 3.9293 7.8131 115.6963 58.6496 29.8965 177.4944 41 D 4.3743 7.7443 118.8542 55.6988 41.2804 176.1279 42 V 4.1026 6.9512 119.6721 62.2611 31.8219 175.7007 43 V 3.8507 8.6866 128.8521 65.3649 31.8420 175.5126 44 Q 4.7433 7.5744 115.5590 55.9758 31.9107 171.7021 45 M 5.2720 8.8026 118.1812 53.9229 36.3801 173.4962 46 L 5.1300 8.7524 125.0021 53.1415 44.5068 175.2719 47 L 5.4047 8.6151 124.6208 53.1306 43.8498 176.3092 48 S 5.6380 8.9971 115.2922 56.4329 67.0446 172.5943 49 A 5.3288 8.3120 121.1569 50.3516 22.8788 175.8217 50 T 4.3413 8.6133 110.7073 60.4784 70.2032 173.8909 51 P 4.2090 0.0000 0.0000 64.1462 30.5376 176.3356 52 D 4.7068 8.1621 117.9693 53.2411 40.1859 175.4421 53 L 5.0002 7.5461 120.5952 53.7719 42.8449 175.6816 54 H 4.7432 9.2054 118.1950 54.8131 31.1435 174.5112 55 A 4.0720 8.4727 122.9711 54.9378 18.3715 177.8681 56 V 4.0596 6.8220 111.1342 60.9989 33.5139 172.0891 57 F 4.4282 8.2515 120.2442 56.4295 39.2155 174.9442 58 P 4.2945 0.0000 0.0000 65.7001 31.0577 178.2245 59 A 4.1004 8.2278 118.8513 54.7329 18.0479 179.1764 60 K 3.9519 8.6097 118.4476 59.3700 32.2193 178.6785 61 A 3.9856 8.0703 121.1896 54.7267 18.3109 179.5707 62 V 3.5032 7.7757 116.8064 65.8625 31.2592 178.3154 63 R 4.0250 7.5509 117.0635 58.6331 29.9408 177.7775 64 E 4.2715 7.8008 116.2389 56.1958 30.0469 176.7283 65 L 4.0732 6.8544 118.6778 54.1278 42.4512 176.4396 66 S 4.4580 8.5321 115.7959 58.6689 62.3296 173.8723 67 G 3.9544 9.0971 116.1863 46.1098 0.0000 172.8817 68 W 4.5682 8.1580 116.9120 55.9199 29.6087 177.9053 69 Q 3.9970 8.0647 117.8064 58.7070 27.9451 176.6604 70 Y 4.6052 7.5363 113.9698 57.8202 38.5434 175.3810 71 V 3.8171 7.5946 121.6342 61.2315 31.8363 173.7259 72 P 4.5116 0.0000 0.0000 62.9802 32.3175 175.4698 73 V 5.2179 8.2606 122.5214 60.5341 34.6878 174.3786 74 T 4.4388 8.0791 122.2349 61.4122 71.0210 171.9438 *76 M 4.5639 8.5438 117.9869 55.4809 34.2592 174.0647 77 Q 4.8509 8.4121 121.3101 54.7073 30.2417 175.0273 78 E 4.3005 8.8951 128.0389 55.6997 30.8319 175.9727 79 M 4.0190 8.5084 123.3879 55.5730 32.7711 175.6553 80 D 4.5730 8.5268 125.9820 52.9547 40.7803 174.7160 81 V 4.2694 7.8689 126.4450 60.4111 33.1385 175.1074 82 T 4.0275 8.4394 117.8129 63.6703 68.6076 174.3324 83 G 3.8858 9.0730 115.1731 44.8260 0.0000 173.1210 84 G 3.8178 7.5529 108.6843 44.1340 0.0000 173.2341 85 L 3.9790 8.1937 121.4671 54.8241 42.1657 176.9166 86 K 4.2572 8.5390 125.5706 55.8079 33.6226 176.1353 87 K 3.9602 8.5745 116.2511 56.3647 30.4325 174.4780 88 K 5.0518 7.9157 118.9121 54.8446 35.0332 175.1063 89 I 5.1384 8.5271 126.7400 59.7008 40.6388 174.8414 90 S 5.2752 9.1366 121.7865 56.7365 67.3151 173.0939 91 V 4.7536 8.7924 120.5801 61.7261 35.0761 174.0667 92 M 4.8084 8.9740 126.8295 53.9074 33.3685 171.6544 93 M 4.6887 9.0002 123.5706 54.3852 34.3479 174.2649 94 T 4.9662 8.6270 123.2855 62.2941 70.6252 174.2911 95 V 4.9319 9.0422 119.2661 59.5026 36.5611 174.1911 96 Q 4.8071 8.4816 123.9887 55.6320 29.7606 174.8525 97 T 4.3961 8.1327 117.7783 61.8010 70.7951 172.5303 98 D 4.6729 8.8759 125.3418 53.0859 40.2944 176.6505 99 V 3.7227 7.4535 121.1151 62.0106 32.1201 173.9808 100 P 4.3522 0.0000 0.0000 62.6609 31.7085 176.7326 101 Q 4.0202 9.0144 122.9955 59.4958 28.8632 178.6007 102 D 4.5460 8.0950 114.5934 55.1236 39.6625 176.4800 103 Q 4.4495 8.1241 118.0474 56.0003 29.9756 176.1649 104 I 3.5914 7.1952 118.8252 61.7571 37.3992 176.2956 105 R 4.3288 8.5758 124.9232 55.1847 29.0671 175.3427 106 H 4.5599 8.4143 119.9457 55.1203 30.0995 174.9241 107 V 4.2119 7.9810 122.2568 61.3525 33.4428 173.8899 108 Y 5.0615 8.6035 125.1915 56.4175 40.5712 174.8531 109 L 4.7125 8.9909 124.1447 52.1058 45.7796 177.6246 110 E 3.4951 8.8414 119.1985 57.6146 28.4320 178.1592 111 K 4.2342 8.8410 123.3433 59.1476 31.9025 177.6297 112 A 4.4763 8.0537 121.0697 52.7396 18.3615 179.4093 113 V 3.7502 7.7405 119.4889 64.3908 31.2845 178.1299 114 V 3.9253 7.2524 116.1570 62.9628 31.3144 176.9436 115 L 4.3735 7.4240 121.4465 56.6516 42.8086 177.0439 *116 R 4.1489 7.0011 119.4392 56.2379 29.3915 178.9756 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 8.30 4.43 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 2 M 8.22 4.59 0.00 2.20 1.88 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 2.57 2.70 0.00 3 I 9.09 4.99 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 1.34 1.05 0.91 0.00 0.00 4 R 9.34 4.71 0.00 1.63 1.78 0.00 3.29 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 5 G 8.71 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 0.00 0.00 0.00 0.00 6 I 9.08 4.61 1.88 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 1.08 1.05 0.83 0.00 0.00 7 R 8.39 5.05 0.00 1.93 1.79 0.00 3.32 0.00 0.00 3.50 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 8 G 8.10 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 A 7.82 5.12 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 10 T 8.42 5.04 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 11 T 8.32 5.27 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 1.23 0.00 0.00 12 V 8.07 4.46 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 0.71 0.00 0.00 0.96 0.00 0.00 13 E 9.92 4.13 0.00 1.85 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 0.00 2.31 2.31 0.00 14 R 8.04 4.68 0.00 1.90 1.76 0.00 3.20 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 15 D 8.43 4.64 0.00 2.62 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 16 T 7.61 4.71 4.40 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 1.20 0.00 0.00 17 E 8.80 3.89 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 2.38 2.42 0.00 18 E 8.16 3.93 0.00 2.08 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 2.40 2.43 0.00 19 E 7.94 3.97 0.00 1.99 1.93 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 2.29 2.34 0.00 20 I 7.87 3.69 2.06 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 0.48 0.90 0.00 0.00 21 L 8.21 3.98 0.00 1.70 1.70 0.92 0.93 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 22 Q 7.97 3.89 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 23 K 8.16 4.01 0.00 1.91 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 24 T 8.11 3.87 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 1.25 0.00 0.00 25 K 8.03 3.82 0.00 1.88 1.99 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.35 7.81 26 Q 8.21 3.92 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 27 L 7.97 3.87 0.00 1.87 1.79 0.92 0.42 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 28 L 7.80 3.91 0.00 1.52 1.36 0.79 0.81 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 29 E 8.20 3.89 0.00 2.09 1.93 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 2.21 2.42 0.00 30 K 7.91 3.96 0.00 2.03 1.80 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.60 7.81 31 I 7.73 3.63 1.95 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 1.44 0.68 0.91 0.00 0.00 32 I 8.01 3.78 1.86 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 1.75 0.59 1.07 0.00 0.00 33 E 8.05 3.98 0.00 2.12 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 0.00 2.58 2.36 0.00 34 E 8.33 4.04 0.00 1.95 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 2.50 2.46 0.00 35 N 7.84 4.74 0.00 2.77 2.81 0.00 0.00 7.04 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 36 H 7.93 4.12 0.00 3.32 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.07 4.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 38 K 8.46 4.52 0.00 1.90 1.84 0.00 1.83 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.44 7.81 39 P 0.00 3.11 0.00 1.71 0.70 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 40 E 7.81 3.93 0.00 2.03 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 2.19 2.22 0.00 41 D 7.74 4.37 0.00 2.81 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 42 V 6.95 4.10 1.82 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 0.74 0.00 0.00 0.67 0.00 0.00 43 V 8.69 3.85 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 0.80 0.00 0.00 0.91 0.00 0.00 44 Q 7.57 4.74 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 45 M 8.80 5.27 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 46 L 8.75 5.13 0.00 1.88 1.56 0.94 0.54 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 47 L 8.62 5.40 0.00 1.55 1.61 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.00 5.64 0.00 3.94 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 49 A 8.31 5.33 1.19 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 50 T 8.61 4.34 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 1.30 0.00 0.00 51 P 0.00 4.21 0.00 2.20 2.20 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 52 D 8.16 4.71 0.00 2.86 2.91 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 0.00 0.00 0.00 53 L 7.55 5.00 0.00 1.55 1.56 0.89 1.03 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 54 H 9.21 4.74 0.00 3.05 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.47 4.07 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 56 V 6.82 4.06 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 0.66 0.00 0.00 0.96 0.00 0.00 57 F 8.25 4.43 0.00 3.15 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 58 P 0.00 4.29 0.00 2.20 2.15 0.00 3.77 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 59 A 8.23 4.10 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 60 K 8.61 3.95 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 A 8.07 3.99 1.41 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 0.00 0.00 62 V 7.78 3.50 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 1.14 0.00 0.00 0.91 0.00 0.00 63 R 7.55 4.02 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 64 E 7.80 4.27 0.00 2.01 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 2.29 2.31 0.00 65 L 6.85 4.07 0.00 1.57 1.20 -0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.53 4.46 0.00 3.85 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 G 9.10 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 0.00 0.00 0.00 0.00 68 W 8.16 4.57 0.00 3.35 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 69 Q 8.06 4.00 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.89 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 70 Y 7.54 4.61 0.00 2.99 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 71 V 7.59 3.82 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 0.79 0.00 0.00 0.48 0.00 0.00 72 P 0.00 4.51 0.00 2.16 2.19 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 73 V 8.26 5.22 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 1.20 0.00 0.00 1.06 0.00 0.00 74 T 8.08 4.44 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 1.22 0.00 0.00 *76 M 8.54 4.56 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 77 Q 8.41 4.85 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 78 E 8.90 4.30 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 2.33 2.27 0.00 79 M 8.51 4.02 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 80 D 8.53 4.57 0.00 2.67 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 81 V 7.87 4.27 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 0.99 0.00 0.00 0.93 0.00 0.00 82 T 8.44 4.03 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 83 G 9.07 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 0.00 0.00 0.00 84 G 7.55 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 0.00 0.00 0.00 85 L 8.19 3.98 0.00 1.62 1.61 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.54 4.26 0.00 1.78 1.92 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.40 7.81 87 K 8.57 3.96 0.00 1.95 1.79 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.31 7.81 88 K 7.92 5.05 0.00 1.85 1.65 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.62 7.81 89 I 8.53 5.14 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 1.22 0.52 0.98 0.00 0.00 90 S 9.14 5.28 0.00 3.72 3.75 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 91 V 8.79 4.75 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 0.94 0.00 0.00 0.91 0.00 0.00 92 M 8.97 4.81 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 93 M 9.00 4.69 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 94 T 8.63 4.97 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 95 V 9.04 4.93 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 0.70 0.00 0.00 1.00 0.00 0.00 96 Q 8.48 4.81 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 97 T 8.13 4.40 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 98 D 8.88 4.67 0.00 2.80 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 99 V 7.45 3.72 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 0.79 0.00 0.00 0.95 0.00 0.00 100 P 0.00 4.35 0.00 2.26 2.01 0.00 3.69 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 2.12 2.09 0.00 101 Q 9.01 4.02 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 102 D 8.10 4.55 0.00 2.82 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 0.00 103 Q 8.12 4.45 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 104 I 7.20 3.59 1.84 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 1.56 0.74 0.71 0.00 0.00 105 R 8.58 4.33 0.00 1.84 1.88 0.00 3.32 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 106 H 8.41 4.56 0.00 3.15 3.10 0.00 5.67 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 0.00 107 V 7.98 4.21 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 0.99 0.00 0.00 0.85 0.00 0.00 108 Y 8.60 5.06 0.00 2.88 3.05 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 0.00 109 L 8.99 4.71 0.00 1.59 1.57 0.93 0.68 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 0.00 110 E 8.84 3.50 0.00 2.17 1.61 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 2.32 2.45 0.00 111 K 8.84 4.23 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 112 A 8.05 4.48 1.46 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 0.00 113 V 7.74 3.75 2.24 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 0.89 0.00 0.00 0.95 0.00 0.00 114 V 7.25 3.93 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 0.81 0.00 0.00 0.90 0.00 0.00 115 L 7.42 4.37 0.00 1.35 1.38 0.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *116 R 7.00 4.15 0.00 1.88 1.70 0.00 3.30 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 1.58 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.