NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.4963 8.3549 108.0384 46.1336 0.0000 172.4314 9 R 4.4784 7.2399 117.1523 53.8252 34.8357 173.6057 10 L 5.1426 8.5786 122.5830 54.5927 43.7837 175.5316 11 W 5.5165 8.9838 118.5547 55.2054 32.3365 173.2026 12 L 4.8678 8.9771 121.3738 53.0268 43.6783 175.0051 13 E 4.9462 8.7088 125.5811 54.9517 31.2867 175.8150 14 S 5.1582 8.6037 122.9973 56.3608 65.2869 171.9975 15 P 4.4391 0.0000 0.0000 61.7739 31.6625 174.5310 16 P 4.4242 0.0000 0.0000 64.1945 31.5210 177.4966 17 G 4.0064 8.8125 109.8034 45.8300 0.0000 173.9787 18 E 4.5166 7.7972 123.8176 55.5492 28.3706 176.3215 19 A 4.1797 8.4555 120.5684 50.9479 19.0381 175.5325 20 P 4.4552 0.0000 0.0000 61.4735 32.1239 174.4484 21 P 4.4702 0.0000 0.0000 63.5923 31.9377 175.7797 22 I 4.4152 8.4372 124.7785 59.5552 39.0564 175.0681 23 F 4.7249 8.8422 126.3925 56.8848 39.8216 175.7668 24 L 4.3507 8.6936 123.2496 53.9179 42.1076 175.6961 25 P 4.4331 0.0000 0.0000 62.3951 32.3134 176.4150 26 S 4.4631 8.4098 115.5186 58.3389 64.1454 173.4406 27 D 4.4841 9.3067 116.5779 55.4700 37.7732 175.0437 28 G 3.9553 8.4805 104.0655 46.1439 0.0000 174.6654 29 Q 4.1221 7.7849 117.8928 55.3415 29.2942 175.8818 30 A 4.5292 8.3820 123.5869 51.6984 19.7682 176.3666 31 L 4.6418 9.0185 123.7774 53.2236 44.6874 175.1255 32 V 4.8075 8.4879 126.2581 61.3233 33.0297 174.6050 33 L 4.7639 8.3754 127.7375 53.4624 44.9009 176.8463 34 G 4.3192 8.0005 106.6712 46.3149 0.0000 173.1160 35 R 4.0828 8.3799 117.8129 55.5544 30.4391 176.8943 36 G 4.1633 8.0188 107.3098 43.1637 0.0000 171.8544 37 P 4.2850 0.0000 0.0000 65.4658 31.5281 177.7378 38 L 4.0709 8.1128 120.4010 57.9867 42.0481 177.5929 39 T 4.1943 7.7986 105.1038 61.2659 69.4959 174.9787 40 Q 3.5799 7.8901 119.8583 56.6141 27.1005 173.0593 41 V 4.0461 7.4941 118.5893 62.1438 32.2308 176.4818 42 T 4.4141 8.1980 115.0928 61.0746 70.3708 173.5511 43 D 4.3188 8.0066 122.8271 54.9307 41.1824 176.9285 44 R 4.1138 8.5417 125.4226 58.0042 30.4085 177.9408 45 K 4.1024 8.3537 117.1612 58.2444 32.3148 176.5621 46 C 4.4204 7.8519 120.1212 57.7609 32.3598 173.3123 47 S 4.3678 8.9435 121.7217 57.9658 62.6512 175.1438 48 R 4.1725 8.5966 123.0160 58.8256 30.2725 176.5320 49 T 4.7692 7.8834 114.5270 61.7263 68.5233 172.7508 50 Q 4.3953 9.0930 126.6515 57.5865 31.1353 175.7970 51 V 4.9587 7.5640 110.1526 59.5136 36.7036 173.7691 52 E 5.0261 9.2618 124.5788 54.4643 32.0209 174.5124 53 L 5.3072 9.0408 126.9639 52.9154 45.1545 175.5830 54 V 4.7033 8.6596 122.4645 61.0294 34.3717 174.4626 55 A 4.7404 8.7718 129.5144 51.5795 20.2312 176.4462 56 D 4.8625 9.1316 121.0848 51.6029 42.1520 174.7480 57 P 4.5720 0.0000 0.0000 65.0301 32.0529 178.3362 58 E 4.0491 8.3147 118.9255 59.4127 29.3214 178.0125 59 T 4.1003 7.9910 105.3297 61.1794 69.4927 174.2478 60 R 3.8013 7.8495 121.3263 57.8773 27.9426 175.1532 61 T 5.1481 7.5394 105.5094 59.9396 73.2996 172.9785 62 V 4.9123 8.7119 121.1983 61.0256 35.1236 174.0536 63 A 4.7662 8.9412 129.6320 51.2219 20.4932 176.3213 64 V 4.7168 8.8265 122.2081 61.0068 34.6366 173.9841 65 K 4.9162 9.0229 130.4453 54.5718 34.3926 174.8681 66 Q 4.3859 8.8747 129.5126 56.3165 29.5984 175.8983 67 L 4.3997 8.9560 126.5200 56.1849 43.6024 177.6824 68 G 3.9023 7.9920 106.1514 44.7546 0.0000 173.7601 69 V 3.7753 8.2338 118.9584 63.6967 31.9318 176.5551 70 N 4.8520 7.7866 116.3336 50.8753 40.2204 172.4631 71 P 4.7346 0.0000 0.0000 62.9927 32.8903 175.8000 72 S 5.1439 9.5515 119.9460 58.0076 65.3284 173.1541 73 T 5.1843 8.7777 118.0361 62.0571 72.1807 173.1297 74 T 4.3600 9.0818 117.5671 60.7679 69.6750 173.2242 75 G 3.9551 9.1292 118.7813 46.4838 0.0000 172.2226 *77 Q 4.0670 7.4956 119.0658 55.0011 30.5581 173.0798 78 E 4.6498 8.8595 127.6521 55.9741 30.7022 175.7813 79 L 4.7323 8.6985 127.1982 53.4425 44.5083 175.2541 80 K 4.6442 8.1394 117.3966 54.0081 36.2028 174.2352 81 P 4.5318 0.0000 0.0000 64.6909 31.2685 177.2852 82 G 3.9673 9.2956 113.1281 44.9016 0.0000 173.1462 83 L 4.5787 7.7994 119.7790 53.7837 43.7426 175.2419 84 E 5.1493 8.6964 121.1555 54.7513 32.7170 174.9999 85 G 4.4835 9.3098 112.6612 44.8999 0.0000 170.9967 86 S 5.3135 8.5420 112.3008 56.7522 66.4852 173.4227 87 L 4.7732 8.9955 120.4420 53.0789 45.5135 176.3619 88 G 4.3701 9.3236 110.2656 43.7897 0.0000 172.7459 89 V 3.9054 7.4461 120.6491 64.3407 31.5897 176.3424 90 G 3.9232 9.2393 116.5919 45.0477 0.0000 172.9991 91 D 4.7796 8.0287 119.9319 53.7958 42.9208 175.4708 92 T 4.7508 8.2292 117.0814 61.6520 71.8776 172.7561 93 L 4.7469 8.5916 128.4570 54.0288 44.0870 174.6276 94 Y 4.8139 8.7833 124.9810 56.3757 38.8007 176.5495 95 L 4.0568 8.7072 126.3589 57.5101 42.2146 178.5204 96 V 4.6667 7.9984 116.0861 61.6819 34.2118 173.4722 97 N 4.2094 9.8875 118.7310 54.5142 36.5818 175.2726 98 G 3.6830 8.5209 102.2430 45.9097 0.0000 173.7784 99 L 4.7263 7.6225 118.9202 53.7147 45.4812 174.3835 100 H 4.2030 8.4396 115.9551 56.0014 24.8085 172.4894 101 P 4.7548 0.0000 0.0000 62.4592 33.0313 177.2843 102 L 4.8923 8.8484 121.7367 53.4916 45.7807 175.3307 103 T 4.8074 8.5774 120.7915 61.6070 71.1067 173.7084 104 L 4.4290 8.5091 128.6031 54.9431 43.4028 175.8394 105 R 4.7566 8.5895 124.0142 54.0154 34.9781 173.6108 106 W 5.2866 8.7127 129.8328 55.7170 33.3111 173.8170 107 E 4.6643 8.9357 128.6391 54.2113 31.3321 175.7280 108 E 4.0211 8.6707 125.3295 56.6893 29.6508 176.6073 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 8 G 8.35 3.50 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 0.00 0.00 0.00 9 R 7.24 4.48 0.00 1.66 1.89 0.00 2.93 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 10 L 8.58 5.14 0.00 1.77 1.70 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.98 5.52 0.00 2.81 2.28 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 12 L 8.98 4.87 0.00 1.54 1.53 0.90 0.76 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 13 E 8.71 4.95 0.00 1.37 1.56 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 2.26 2.50 0.00 14 S 8.60 5.16 0.00 4.01 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 15 P 0.00 4.44 0.00 2.26 1.99 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 16 P 0.00 4.42 0.00 2.05 2.02 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 17 G 8.81 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 18 E 7.80 4.52 0.00 1.96 1.80 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 2.28 2.26 0.00 19 A 8.46 4.18 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 20 P 0.00 4.46 0.00 2.06 2.00 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 21 P 0.00 4.47 0.00 1.50 1.15 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 22 I 8.44 4.42 1.88 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 1.25 0.85 0.94 0.00 0.00 23 F 8.84 4.72 0.00 2.99 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 24 L 8.69 4.35 0.00 1.65 1.68 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.43 0.00 2.07 2.02 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 26 S 8.41 4.46 0.00 4.03 4.03 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 0.00 0.00 0.00 27 D 9.31 4.48 0.00 2.87 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 28 G 8.48 3.96 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 0.00 0.00 0.00 29 Q 7.78 4.12 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 30 A 8.38 4.53 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 31 L 9.02 4.64 0.00 1.75 1.53 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.49 4.81 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 0.92 0.00 0.00 0.94 0.00 0.00 33 L 8.38 4.76 0.00 1.61 1.52 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.00 4.32 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 0.00 0.00 0.00 35 R 8.38 4.08 0.00 2.10 1.91 0.00 3.24 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 36 G 8.02 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 0.00 0.00 0.00 0.00 37 P 0.00 4.28 0.00 2.19 2.20 0.00 3.77 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 1.99 1.96 0.00 38 L 8.11 4.07 0.00 1.62 1.74 0.94 0.94 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 39 T 7.80 4.19 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 40 Q 7.89 3.58 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 41 V 7.49 4.05 2.02 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 0.74 0.00 0.00 0.88 0.00 0.00 42 T 8.20 4.41 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 43 D 8.01 4.32 0.00 2.72 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 44 R 8.54 4.11 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 45 K 8.35 4.10 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.39 7.81 46 C 7.85 4.42 0.00 2.91 2.95 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 47 S 8.94 4.37 0.00 3.90 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 48 R 8.60 4.17 0.00 1.91 1.97 0.00 3.12 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 49 T 7.88 4.77 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 50 Q 9.09 4.40 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 51 V 7.56 4.96 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 0.67 0.00 0.00 0.93 0.00 0.00 52 E 9.26 5.03 0.00 1.99 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 2.21 2.26 0.00 53 L 9.04 5.31 0.00 1.67 1.53 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.66 4.70 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 1.12 0.00 0.00 0.95 0.00 0.00 55 A 8.77 4.74 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 56 D 9.13 4.86 0.00 2.67 2.54 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 0.00 0.00 0.00 57 P 0.00 4.57 0.00 2.41 2.41 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 58 E 8.31 4.05 0.00 2.23 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 2.35 2.27 0.00 59 T 7.99 4.10 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 1.21 0.00 0.00 60 R 7.85 3.80 0.00 1.85 1.86 0.00 2.44 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.04 0.00 61 T 7.54 5.15 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 1.25 0.00 0.00 62 V 8.71 4.91 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 1.03 0.00 0.00 0.95 0.00 0.00 63 A 8.94 4.77 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 64 V 8.83 4.72 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 0.94 0.00 0.00 0.92 0.00 0.00 65 K 9.02 4.92 0.00 1.83 1.64 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 66 Q 8.87 4.39 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.37 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 67 L 8.96 4.40 0.00 1.79 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.99 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 69 V 8.23 3.78 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 0.76 0.00 0.00 0.94 0.00 0.00 70 N 7.79 4.85 0.00 2.86 2.79 0.00 0.00 6.93 8.02 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 71 P 0.00 4.73 0.00 2.12 2.26 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 72 S 9.55 5.14 0.00 3.79 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 73 T 8.78 5.18 4.47 0.00 0.00 0.00 0.00 0.00 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 74 T 9.08 4.36 4.41 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 1.22 0.00 0.00 75 G 9.13 3.96 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 0.00 0.00 0.00 *77 Q 7.50 4.07 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 78 E 8.86 4.65 0.00 2.02 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 2.28 2.34 0.00 79 L 8.70 4.73 0.00 1.73 1.61 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.14 4.64 0.00 1.75 1.64 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 81 P 0.00 4.53 0.00 2.04 2.02 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 82 G 9.30 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 0.00 0.00 0.00 83 L 7.80 4.58 0.00 1.70 1.59 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.70 5.15 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 85 G 9.31 4.48 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 0.00 86 S 8.54 5.31 0.00 3.81 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 87 L 9.00 4.77 0.00 1.53 1.50 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.32 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 89 V 7.45 3.91 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 0.81 0.00 0.00 1.00 0.00 0.00 90 G 9.24 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 0.00 0.00 0.00 91 D 8.03 4.78 0.00 2.67 2.54 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 0.00 0.00 0.00 92 T 8.23 4.75 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 0.51 0.00 0.00 93 L 8.59 4.75 0.00 1.65 1.57 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.78 4.81 0.00 3.03 3.14 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 95 L 8.71 4.06 0.00 1.72 1.78 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.00 4.67 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 0.73 0.00 0.00 1.05 0.00 0.00 97 N 9.89 4.21 0.00 2.85 2.91 0.00 0.00 6.98 7.25 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 98 G 8.52 3.68 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 0.00 0.00 0.00 99 L 7.62 4.73 0.00 1.62 1.16 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.44 4.20 0.00 3.42 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.83 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 4.75 0.00 1.92 1.89 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 102 L 8.85 4.89 0.00 1.46 1.46 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.58 4.81 4.05 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 1.12 0.00 0.00 104 L 8.51 4.43 0.00 1.66 1.59 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.59 4.76 0.00 0.67 1.12 0.00 3.03 0.00 0.00 2.79 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 106 W 8.71 5.29 0.00 3.36 2.97 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 0.00 107 E 8.94 4.66 0.00 2.18 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 2.16 2.19 0.00 108 E 8.67 4.02 0.00 2.03 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 2.62 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.