NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2946 8.2649 123.5731 51.8695 19.1309 176.4687 2 H 4.1741 8.6215 120.4943 55.6231 29.1721 173.5882 3 P 4.6889 0.0000 0.0000 61.9045 31.7023 175.4071 4 E 4.6643 9.0377 124.8241 55.2396 31.5822 175.7251 5 L 3.5468 8.3301 124.2029 55.0869 41.9381 176.5372 6 K 4.2959 8.6346 127.0931 58.7050 33.2328 176.6911 7 S 4.4955 7.3044 112.1884 58.0998 65.6532 174.0949 8 S 4.9619 7.7925 113.0635 57.1663 66.3387 173.5461 9 V 4.5988 8.4929 120.3451 59.2110 33.8084 173.7084 10 P 4.4368 0.0000 0.0000 61.9518 32.2125 176.4098 11 Q 4.1472 8.4886 118.8186 54.7378 29.4039 175.8810 12 A 4.4867 7.9951 123.5274 54.0270 18.8096 177.5828 13 D 4.6527 9.5690 121.2269 54.8224 39.1949 174.2646 14 S 4.8014 7.9125 114.4348 57.2906 65.6498 172.8775 15 A 5.3585 8.5399 121.9882 50.2941 20.8440 175.8470 16 V 4.5838 8.9876 121.7669 59.9917 35.2613 174.6335 17 A 4.5086 8.6599 123.5857 52.2156 19.4888 177.8969 18 A 3.6335 8.8067 120.5572 52.6639 15.1630 174.0234 19 P 4.0288 0.0000 0.0000 59.9928 32.2282 177.7707 20 E 3.8261 8.5423 122.1509 56.5994 29.2983 174.7228 21 K 4.4735 7.7990 116.5789 56.7343 35.3448 175.4455 22 I 4.6397 8.4246 126.6682 59.2363 40.1707 174.4565 23 Q 4.9733 9.2199 128.4489 54.1429 32.3258 173.7355 24 L 4.6928 9.1179 126.1601 52.9290 44.5321 174.9150 25 N 5.1592 8.5296 121.5490 51.4820 40.9402 174.2388 26 F 5.0924 9.0942 122.6966 55.6073 41.2553 176.1992 27 S 4.4015 9.1180 115.5915 60.7271 63.5479 173.7318 28 E 4.8952 7.9910 117.5626 53.9562 33.6927 175.3024 29 N 4.5448 8.7761 118.2406 53.5137 39.1700 174.7338 30 L 4.7910 7.9520 119.8704 54.4310 43.7170 176.7317 31 T 4.3677 8.6434 118.1433 61.8423 67.8112 176.0855 32 V 3.6189 8.3406 127.3415 64.3599 31.5032 179.1655 33 K 3.7655 7.9601 118.2801 58.8311 32.2373 177.2143 34 F 4.7333 7.6537 115.6587 57.4646 39.2559 175.2324 35 S 4.8721 7.6746 118.3360 57.8657 65.4898 172.9009 36 G 4.2071 8.7584 105.4940 46.8240 0.0000 172.4426 37 A 5.3820 8.4817 120.1607 50.8295 22.3440 175.6506 38 K 4.6880 9.4123 120.4344 54.6477 36.6293 174.6636 39 L 5.2475 8.5880 127.0096 53.5176 45.0595 174.6966 40 T 5.0584 8.9278 120.6715 60.4034 70.9388 172.1872 41 M 4.0457 9.1996 129.4322 55.0422 32.5823 176.1510 42 T 4.1402 8.4443 117.2151 62.3400 70.7274 175.9018 43 G 4.0686 7.3893 109.0742 44.9995 0.0000 171.1906 44 M 4.2938 8.5470 125.5305 55.4128 33.2207 176.7132 45 K 4.2391 8.4497 128.2197 55.7828 29.8239 175.3686 *49 S 4.1949 7.8649 117.0244 58.1633 64.3955 173.1006 50 H 4.9991 8.0788 118.6403 53.5614 31.6360 173.0688 51 S 4.3079 8.4620 116.3172 57.4564 63.2750 172.7458 52 P 4.5540 0.0000 0.0000 63.5578 31.9935 175.2376 53 M 4.7999 8.9114 122.5960 52.6738 34.4519 173.5922 54 P 4.6560 0.0000 0.0000 62.8491 32.4492 175.6780 55 V 4.4335 8.2013 122.7286 60.9665 33.3048 175.1197 56 A 4.2951 8.6181 129.6097 52.1696 19.1397 175.9707 57 A 5.0566 8.4897 123.0353 50.9112 22.5121 175.2667 58 K 4.6273 9.0471 119.5148 55.2683 35.4949 175.4109 59 V 5.0104 8.2499 121.0088 61.3348 34.1235 174.1898 60 A 4.7233 8.7206 127.7677 49.9731 23.4029 173.2863 61 P 4.6749 0.0000 0.0000 62.7482 32.0105 177.4304 62 G 4.1148 8.7017 111.3818 44.4846 0.0000 173.7171 63 A 4.2345 8.6002 122.2992 55.0587 18.5900 178.3878 64 D 4.5940 7.8413 115.0739 53.0881 41.7409 174.3562 65 P 4.2274 0.0000 0.0000 64.1201 32.0821 176.4373 66 K 4.0629 8.9223 118.7787 56.9752 29.4563 175.2851 67 S 5.5009 7.7621 113.3558 56.9185 66.3973 172.8360 68 M 5.1252 9.1783 120.3107 53.8562 36.1653 174.8164 69 V 4.9392 9.0276 115.6128 59.6288 35.7084 174.6665 70 I 4.8782 8.7436 123.8808 59.7476 40.1081 174.7123 71 I 4.5898 8.8872 129.0539 58.7001 38.9880 173.6657 72 P 4.7663 0.0000 0.0000 62.4255 31.4213 177.1612 73 R 4.2141 8.8421 124.1632 58.9819 30.6446 175.8683 74 E 4.7516 7.8563 114.2044 53.5811 32.8664 172.6521 75 P 4.3324 0.0000 0.0000 62.8033 31.8069 176.1850 76 L 4.4183 8.2033 121.3911 53.3680 42.4704 175.4801 77 P 4.5282 0.0000 0.0000 61.6765 32.2993 176.0787 78 A 4.2778 8.6198 123.3532 51.7032 19.0689 178.4364 79 G 4.3114 7.6151 108.7348 45.2077 0.0000 170.9734 80 T 4.8916 7.7834 116.7061 62.3617 70.4349 174.2029 81 Y 4.8359 8.5612 122.4956 55.9516 42.2121 174.3819 82 R 4.8969 9.0076 122.1331 54.5410 33.5020 174.2198 83 V 4.6719 8.5519 126.2796 61.3227 33.7503 173.8835 84 D 5.5177 8.9823 127.7201 52.2040 43.6685 175.2081 85 W 5.6761 8.6451 119.6916 54.8052 32.3900 174.3958 86 R 5.1860 9.5059 119.2931 54.5879 33.7620 174.1862 87 A 5.1713 9.5919 125.3931 50.1222 22.5726 175.1747 88 V 4.8650 8.6617 120.0891 60.1269 35.5683 174.6891 89 S 5.0347 8.4514 116.3515 56.0125 65.5537 175.0884 90 S 4.1900 8.6193 114.9608 60.7020 62.6146 174.8096 91 D 4.8704 7.7175 119.5690 53.8607 41.0311 175.0846 92 T 4.6771 7.7308 108.9184 60.4130 72.0080 172.4161 93 H 4.8374 8.3481 117.8723 52.9893 31.0997 173.0419 94 P 4.7834 0.0000 0.0000 63.3752 31.7048 175.8208 95 I 4.7648 8.8404 116.8033 59.3390 40.9416 174.2570 96 T 4.3843 7.9571 111.9158 60.2215 72.3120 172.4082 97 G 3.7318 6.5704 108.1763 45.8508 0.0000 171.4624 98 N 6.0916 8.8323 115.6391 53.1360 40.1322 172.9190 99 Y 4.9969 7.9115 116.8442 56.9392 41.6736 172.8806 100 T 5.3254 8.7315 115.1218 62.0180 73.0574 173.0718 101 F 5.4101 8.6669 117.5551 56.1097 42.1601 173.0400 102 T 5.0983 9.3588 116.1744 61.8710 71.8569 173.3104 103 V 4.8074 8.9338 125.7674 61.1158 33.7357 175.8493 104 K 4.3285 9.0844 126.7468 56.7737 31.5425 176.9147 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 A 8.26 4.29 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 2 H 8.62 4.17 0.00 3.32 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.69 0.00 1.70 2.12 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.24 0.00 4 E 9.04 4.66 0.00 2.03 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 2.47 2.38 0.00 5 L 8.33 3.55 0.00 0.66 1.38 -0.16 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.63 4.30 0.00 1.61 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 7 S 7.30 4.50 0.00 3.68 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 8 S 7.79 4.96 0.00 3.78 3.52 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 9 V 8.49 4.60 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 0.84 0.00 0.00 0.82 0.00 0.00 10 P 0.00 4.44 0.00 1.34 1.76 0.00 2.92 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.76 0.00 11 Q 8.49 4.15 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.08 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 12 A 8.00 4.49 1.18 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 13 D 9.57 4.65 0.00 2.86 2.89 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 14 S 7.91 4.80 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 5.36 1.27 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 0.00 0.00 16 V 8.99 4.58 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 0.89 0.00 0.00 0.91 0.00 0.00 17 A 8.66 4.51 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.81 3.63 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 19 P 0.00 4.03 0.00 2.16 1.84 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 20 E 8.54 3.83 0.00 2.06 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 0.00 2.17 2.33 0.00 21 K 7.80 4.47 0.00 1.72 1.72 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.52 7.81 22 I 8.42 4.64 1.99 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 1.10 1.17 0.96 0.00 0.00 23 Q 9.22 4.97 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 24 L 9.12 4.69 0.00 1.69 0.92 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.53 5.16 0.00 2.48 2.56 0.00 0.00 6.47 8.89 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 26 F 9.09 5.09 0.00 2.87 2.89 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 27 S 9.12 4.40 0.00 3.88 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 28 E 7.99 4.90 0.00 1.84 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 2.29 2.35 0.00 29 N 8.78 4.54 0.00 2.71 2.76 0.00 0.00 6.65 7.85 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 30 L 7.95 4.79 0.00 1.69 1.36 0.35 0.59 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 31 T 8.64 4.37 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 32 V 8.34 3.62 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 0.92 0.00 0.00 0.96 0.00 0.00 33 K 7.96 3.77 0.00 1.56 1.80 0.00 1.18 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.06 0.30 7.81 34 F 7.65 4.73 0.00 3.05 3.07 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 35 S 7.67 4.87 0.00 3.86 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 36 G 8.76 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 0.00 0.00 0.00 0.00 37 A 8.48 5.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.41 4.69 0.00 1.79 1.61 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.40 7.81 39 L 8.59 5.25 0.00 1.84 1.54 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.93 5.06 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 1.22 0.00 0.00 41 M 9.20 4.05 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.22 0.00 42 T 8.44 4.14 4.11 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 0.00 0.00 1.11 0.00 0.00 43 G 7.39 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 44 M 8.55 4.29 0.00 1.99 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 2.53 2.51 0.00 45 K 8.45 4.24 0.00 1.85 1.80 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *49 S 7.86 4.19 0.00 3.90 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 50 H 8.08 5.00 0.00 3.11 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.46 4.31 0.00 3.89 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 52 P 0.00 4.55 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 53 M 8.91 4.80 0.00 1.88 1.95 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 2.41 2.69 0.00 54 P 0.00 4.66 0.00 2.09 2.06 0.00 3.74 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 1.97 0.00 55 V 8.20 4.43 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 0.82 0.00 0.00 1.12 0.00 0.00 56 A 8.62 4.30 1.28 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 0.00 0.00 57 A 8.49 5.06 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 58 K 9.05 4.63 0.00 1.82 1.93 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 59 V 8.25 5.01 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 0.92 0.00 0.00 1.00 0.00 0.00 60 A 8.72 4.72 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 61 P 0.00 4.67 0.00 1.95 2.00 0.00 3.67 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 2.01 2.08 0.00 62 G 8.70 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.60 4.23 1.28 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 0.00 0.00 64 D 7.84 4.59 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.23 0.00 2.04 2.00 0.00 3.77 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 2.03 2.12 0.00 66 K 8.92 4.06 0.00 2.03 2.17 0.00 1.62 0.00 0.00 2.10 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.43 7.81 67 S 7.76 5.50 0.00 3.90 3.93 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 68 M 9.18 5.13 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 69 V 9.03 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 0.75 0.00 0.00 0.99 0.00 0.00 70 I 8.74 4.88 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.07 0.96 0.00 0.00 71 I 8.89 4.59 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 1.23 0.86 0.91 0.00 0.00 72 P 0.00 4.77 0.00 2.02 1.99 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 73 R 8.84 4.21 0.00 1.83 1.97 0.00 3.24 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 1.65 1.59 0.00 74 E 7.86 4.75 0.00 2.06 1.88 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 2.19 2.28 0.00 75 P 0.00 4.33 0.00 2.08 2.05 0.00 3.68 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 2.04 2.13 0.00 76 L 8.20 4.42 0.00 1.56 1.43 0.51 0.95 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 77 P 0.00 4.53 0.00 2.11 2.03 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 78 A 8.62 4.28 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 79 G 7.62 4.31 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 0.00 80 T 7.78 4.89 4.11 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 0.00 0.00 1.13 0.00 0.00 81 Y 8.56 4.84 0.00 1.77 2.40 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 82 R 9.01 4.90 0.00 1.73 1.66 0.00 3.02 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 83 V 8.55 4.67 0.90 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 1.00 0.00 0.00 0.94 0.00 0.00 84 D 8.98 5.52 0.00 2.60 2.47 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 0.00 85 W 8.65 5.68 0.00 3.65 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 86 R 9.51 5.19 0.00 1.79 1.85 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 87 A 9.59 5.17 0.99 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 88 V 8.66 4.87 2.13 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 1.03 0.00 0.00 0.94 0.00 0.00 89 S 8.45 5.03 0.00 3.98 4.06 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 0.00 0.00 0.00 90 S 8.62 4.19 0.00 3.99 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 91 D 7.72 4.87 0.00 2.59 2.64 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 92 T 7.73 4.68 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 1.07 0.00 0.00 93 H 8.35 4.84 0.00 3.18 3.25 0.00 5.72 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 94 P 0.00 4.78 0.00 1.95 2.04 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 95 I 8.84 4.76 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.85 0.00 0.00 96 T 7.96 4.38 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 1.08 0.00 0.00 97 G 6.57 3.73 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 0.00 0.00 0.00 98 N 8.83 6.09 0.00 2.73 2.79 0.00 0.00 6.21 7.55 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 99 Y 7.91 5.00 0.00 3.20 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 0.00 100 T 8.73 5.33 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 1.23 0.00 0.00 101 F 8.67 5.41 0.00 3.27 3.26 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 0.00 0.00 0.00 0.00 102 T 9.36 5.10 4.35 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 1.33 0.00 0.00 103 V 8.93 4.81 2.35 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 1.05 0.00 0.00 1.03 0.00 0.00 104 K 9.08 4.33 0.00 1.68 1.74 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.