NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7142 8.1633 120.2779 55.3312 34.2592 173.8947 2 K 4.8308 8.8892 119.6305 53.8936 37.1047 173.4820 3 K 4.8552 9.8061 126.4511 55.1524 34.6400 174.6545 4 I 4.7976 8.8007 128.7738 59.6144 39.5803 174.0657 5 E 5.1073 9.2226 128.0857 54.3799 32.1686 174.2148 6 A 5.0006 9.1243 129.5241 50.1638 22.1177 174.5522 7 I 4.8612 8.7273 124.7908 60.0420 38.9221 175.2308 8 I 4.9279 8.8730 120.1004 58.4932 41.9045 174.7971 9 R 4.1589 8.4567 121.1680 56.2088 30.5848 176.2565 10 P 4.2760 0.0000 0.0000 65.6572 31.5443 178.2390 11 F 4.5273 8.2088 110.9826 58.5230 38.3219 176.4261 12 K 3.9788 7.6086 120.6585 56.4750 31.9527 178.0275 13 L 3.8722 7.5944 121.9353 58.1846 42.0109 178.0522 14 D 4.3334 8.1259 117.2707 57.6575 41.1377 178.0470 15 E 3.9531 8.1024 118.3003 59.3065 29.5197 179.3697 16 V 3.5289 7.7561 118.2094 65.9001 31.5684 177.9033 17 K 3.9079 8.3510 119.7227 59.6758 31.9226 178.8298 18 I 3.7073 7.8726 119.8193 64.1089 36.7591 178.1678 19 A 3.9773 8.0699 121.6413 55.1546 18.2502 179.6714 20 L 3.9382 7.8919 117.3293 58.0786 41.7685 180.0441 21 V 3.8583 7.8653 119.5652 65.5740 31.2699 177.7196 22 N 4.4841 8.4714 115.0470 55.2253 38.3736 176.0969 23 A 4.5146 7.3343 120.9928 51.5729 19.0125 178.1076 24 G 3.7592 8.0062 106.6774 46.3241 0.0000 174.4394 25 I 4.0539 7.7093 122.0719 59.9325 36.4824 175.5459 26 V 4.3535 9.1560 125.4503 61.4241 32.0648 174.2164 27 G 4.3680 7.8006 123.3325 45.5656 0.0000 169.7589 28 M 4.9975 7.8002 122.0490 54.5300 34.4644 174.0925 29 T 4.7293 8.9974 116.3021 61.7955 72.4134 173.2615 30 V 5.0752 8.4543 124.8912 61.2053 34.5235 174.5045 31 S 4.7861 8.8941 120.4914 56.7970 67.0417 172.4225 32 E 4.7263 8.6864 120.4989 55.8175 30.4258 176.0667 33 V 4.6247 8.5817 116.3271 59.8067 36.6608 174.3633 34 R 5.2033 8.2625 119.7153 55.0530 33.0604 175.4835 35 G 4.4766 9.1384 107.8594 45.9214 0.0000 171.6825 36 F 5.4032 8.1971 114.3246 55.0453 41.2374 174.8456 37 G 4.3196 8.6108 108.2123 45.0318 0.0000 175.5403 38 R 3.9606 9.0034 119.5750 59.3993 30.5128 177.3781 39 Q 4.3101 8.1153 114.0147 55.1800 29.2245 175.9931 40 K 3.5316 8.9788 117.2104 57.2839 29.8515 177.6108 41 G 4.2190 8.4830 107.5166 46.4755 0.0000 174.2999 42 Q 4.4107 7.5170 119.2659 55.5415 29.1909 175.9191 43 T 4.3048 8.1974 113.0213 62.4044 69.5549 175.3279 44 E 3.6280 7.7682 123.0012 60.4868 29.6576 177.7122 *51 Y 4.5592 7.8429 122.0722 57.0959 39.9525 178.3348 52 T 4.2473 7.6353 114.9851 62.9129 69.4095 174.3868 53 V 4.2452 7.9543 123.6906 59.7774 33.7861 174.5775 54 E 4.6594 8.3183 123.4017 54.2464 33.4121 175.0583 55 F 5.2525 8.7237 120.2367 56.7439 40.7043 175.1811 56 L 5.0101 8.9182 121.2499 52.7297 45.6585 175.4713 57 Q 4.6222 8.6889 122.7004 56.1809 29.8730 175.0820 58 K 4.8583 9.2888 124.8203 54.7513 37.3766 174.6882 59 L 5.1108 8.8552 121.0613 52.9768 44.7375 175.6335 60 K 4.9862 9.0141 124.6879 54.7354 34.5021 174.5674 61 L 5.2401 9.0517 127.8138 53.0282 44.3595 175.1485 62 E 5.1932 9.4592 123.2055 54.6147 32.8052 175.1512 63 I 4.7719 8.7840 124.5354 59.6294 41.1924 174.2341 64 V 4.7679 8.4981 127.0668 61.5159 33.2031 174.9696 65 V 4.6168 8.5690 119.5883 59.7834 37.0068 174.3432 66 E 4.4284 8.9633 120.7683 56.1249 30.2134 178.0796 67 D 4.3870 8.8999 120.7474 57.9365 40.6014 179.2618 68 A 4.1404 7.9830 118.9096 54.1563 18.8065 178.3599 69 Q 4.3486 8.0680 115.5834 55.9151 29.2285 177.6473 70 V 3.5888 7.4860 120.3562 66.4140 31.5192 177.6481 71 D 4.3379 8.0629 117.7747 57.3845 40.5506 178.8211 72 T 3.8058 7.7890 115.9397 66.5557 68.5561 176.3296 73 V 3.5679 7.7437 120.0085 66.3050 31.4891 177.9354 74 I 3.6361 7.9479 119.2852 64.6353 37.0395 177.8971 75 D 4.3909 8.4242 119.8819 57.7383 40.8055 179.5090 76 K 4.0315 8.4210 119.0001 59.2630 31.9715 179.5944 77 I 3.6531 7.9327 120.3082 64.2244 37.0559 178.4876 78 V 3.5020 7.8344 118.7943 66.1571 31.1569 177.9717 79 A 3.9848 7.8351 118.6226 54.9893 18.2402 179.0156 80 A 4.0921 7.8020 117.9521 54.4322 18.7857 178.9560 81 A 4.1206 8.0504 118.5034 52.8444 19.6967 178.2128 82 R 4.0837 7.4964 117.8490 56.9791 30.5008 176.2056 83 T 4.4716 9.6778 113.6711 60.6102 70.3770 174.8970 84 G 4.0689 8.8318 108.9114 45.1396 0.0000 173.0687 85 E 4.7722 7.7713 118.2049 53.6458 32.2826 175.5290 86 I 3.7420 8.1280 114.5599 62.9891 37.7309 176.3574 87 G 4.0326 8.8679 110.7301 45.4002 0.0000 174.0846 88 D 4.2846 7.4304 118.9389 56.1275 40.9151 176.0826 89 G 4.5164 6.9518 102.8288 44.2912 0.0000 171.9338 90 K 4.4914 7.8650 119.3608 54.8839 35.7771 174.6053 91 I 4.8039 7.6887 125.1209 59.3625 40.6692 174.7065 92 F 4.9958 8.9078 124.7279 55.6806 42.2246 174.0616 93 V 4.9993 8.6439 123.5622 61.2932 33.2795 174.8021 94 S 4.9343 9.0693 121.3958 55.7169 66.7916 171.5785 95 P 4.6936 0.0000 0.0000 62.9424 32.1775 175.5857 96 V 4.3226 8.0872 121.5243 61.3812 33.1158 175.2848 97 D 4.5047 9.0056 128.2524 57.1244 41.1046 176.7824 98 Q 4.7095 7.6657 117.5173 54.9702 32.2717 173.0144 99 T 4.7447 8.9408 121.4852 61.7962 71.8497 173.0816 100 I 4.9403 8.1835 125.6025 59.3868 40.7826 174.8656 101 R 4.0977 9.2282 128.9332 55.7844 29.0319 177.3612 102 I 3.7558 8.6101 128.1566 64.3652 37.5004 178.4539 103 R 4.1601 8.0182 119.7264 58.4543 30.0737 176.7005 104 T 4.4220 7.1129 102.6372 59.9335 70.1090 174.6471 105 G 3.9240 8.2649 109.6494 46.2326 0.0000 173.8331 106 E 4.1856 7.8355 118.8396 55.9087 29.9680 176.2850 107 K 5.1091 8.0976 119.8835 55.5717 36.7794 178.5432 108 N 4.1027 8.8423 119.7553 54.1735 38.1917 176.4422 109 A 4.7721 8.8684 129.6934 55.8457 18.2111 180.1650 110 D 4.3657 8.0344 113.6217 57.0848 41.0699 177.3386 111 A 4.2633 7.6617 119.6955 53.2338 18.7052 177.7142 112 I 4.2444 7.3978 118.0632 62.7418 39.2981 176.6568 *113 S 4.3330 8.2847 120.7423 58.6263 62.0051 176.6543 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 4.71 0.00 1.99 2.21 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 2.59 2.58 0.00 2 K 8.89 4.83 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 3 K 9.81 4.86 0.00 1.83 1.68 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 I 8.80 4.80 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 1.11 0.38 0.89 0.00 0.00 5 E 9.22 5.11 0.00 2.12 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 2.34 2.29 0.00 6 A 9.12 5.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.86 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.94 0.00 0.00 8 I 8.87 4.93 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.19 0.84 0.00 0.00 9 R 8.46 4.16 0.00 1.49 1.95 0.00 3.24 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 10 P 0.00 4.28 0.00 2.26 2.16 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 11 F 8.21 4.53 0.00 3.10 3.16 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 12 K 7.61 3.98 0.00 1.64 1.62 0.00 1.58 0.00 0.00 1.05 0.00 0.00 2.67 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.30 1.26 7.81 13 L 7.59 3.87 0.00 1.77 1.67 0.91 0.92 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 14 D 8.13 4.33 0.00 2.84 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 15 E 8.10 3.95 0.00 2.00 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 2.40 2.38 0.00 16 V 7.76 3.53 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 0.96 0.00 0.00 0.90 0.00 0.00 17 K 8.35 3.91 0.00 1.82 2.02 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 I 7.87 3.71 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 1.45 0.70 0.91 0.00 0.00 19 A 8.07 3.98 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 20 L 7.89 3.94 0.00 1.84 1.72 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.87 3.86 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 1.17 0.00 0.00 1.03 0.00 0.00 22 N 8.47 4.48 0.00 2.75 2.86 0.00 0.00 6.99 6.99 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 23 A 7.33 4.51 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 24 G 8.01 3.76 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 0.00 0.00 0.00 25 I 7.71 4.05 1.96 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 1.42 0.91 0.00 0.00 26 V 9.16 4.35 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 0.80 0.00 0.00 0.93 0.00 0.00 27 G 7.80 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 28 M 7.80 5.00 0.00 1.98 1.99 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 2.47 2.56 0.00 29 T 9.00 4.73 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 30 V 8.45 5.08 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.89 4.79 0.00 3.88 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 32 E 8.69 4.73 0.00 1.87 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 0.00 2.29 2.34 0.00 33 V 8.58 4.62 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 0.77 0.00 0.00 0.95 0.00 0.00 34 R 8.26 5.20 0.00 1.42 1.87 0.00 3.09 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 35 G 9.14 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 36 F 8.20 5.40 0.00 2.94 3.04 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 0.00 0.00 0.00 37 G 8.61 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 38 R 9.00 3.96 0.00 1.85 2.05 0.00 3.22 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 39 Q 8.12 4.31 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.31 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 40 K 8.98 3.53 0.00 1.84 1.52 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.49 7.81 41 G 8.48 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 0.00 0.00 0.00 0.00 42 Q 7.52 4.41 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 43 T 8.20 4.30 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 1.23 0.00 0.00 44 E 7.77 3.63 0.00 1.94 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 2.31 2.38 0.00 *51 Y 7.84 4.56 0.00 2.36 2.25 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 0.00 52 T 7.64 4.25 4.17 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 1.14 0.00 0.00 53 V 7.95 4.25 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 0.53 0.00 0.00 -0.29 0.00 0.00 54 E 8.32 4.66 0.00 1.83 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 0.00 2.16 2.14 0.00 55 F 8.72 5.25 0.00 3.06 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 56 L 8.92 5.01 0.00 1.66 1.60 1.01 0.93 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 57 Q 8.69 4.62 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 58 K 9.29 4.86 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.59 7.81 59 L 8.86 5.11 0.00 1.54 1.53 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.01 4.99 0.00 1.82 1.80 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 L 9.05 5.24 0.00 1.74 1.53 0.90 0.65 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 62 E 9.46 5.19 0.00 1.83 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 0.00 2.23 2.26 0.00 63 I 8.78 4.77 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 1.11 0.78 0.94 0.00 0.00 64 V 8.50 4.77 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 65 V 8.57 4.62 2.25 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 0.65 0.00 0.00 0.93 0.00 0.00 66 E 8.96 4.43 0.00 2.26 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 2.33 2.32 0.00 67 D 8.90 4.39 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.14 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 69 Q 8.07 4.35 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 70 V 7.49 3.59 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 1.12 0.00 0.00 0.99 0.00 0.00 71 D 8.06 4.34 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 3.81 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 1.20 0.00 0.00 73 V 7.74 3.57 2.19 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 1.09 0.00 0.00 0.95 0.00 0.00 74 I 7.95 3.64 1.85 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 1.49 0.71 0.88 0.00 0.00 75 D 8.42 4.39 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.42 4.03 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.61 7.81 77 I 7.93 3.65 1.94 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 1.37 0.78 0.85 0.00 0.00 78 V 7.83 3.50 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 0.98 0.00 0.00 0.94 0.00 0.00 79 A 7.84 3.98 1.32 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 80 A 7.80 4.09 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 81 A 8.05 4.12 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 82 R 7.50 4.08 0.00 1.91 1.83 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 83 T 9.68 4.47 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 1.31 0.00 0.00 84 G 8.83 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 85 E 7.77 4.77 0.00 2.06 1.85 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 0.00 2.25 2.38 0.00 86 I 8.13 3.74 2.05 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 1.36 0.54 0.92 0.00 0.00 87 G 8.87 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 0.00 0.00 0.00 88 D 7.43 4.28 0.00 2.77 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 89 G 6.95 4.52 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 0.00 0.00 0.00 90 K 7.86 4.49 0.00 1.67 1.30 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.55 1.18 7.81 91 I 7.69 4.80 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.83 0.00 0.00 92 F 8.91 5.00 0.00 2.95 2.84 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 93 V 8.64 5.00 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 0.84 0.00 0.00 0.94 0.00 0.00 94 S 9.07 4.93 0.00 3.86 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 4.69 0.00 2.10 2.09 0.00 3.70 0.00 0.00 3.59 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 96 V 8.09 4.32 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 0.84 0.00 0.00 0.93 0.00 0.00 97 D 9.01 4.50 0.00 2.70 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 98 Q 7.67 4.71 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 99 T 8.94 4.74 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 0.00 100 I 8.18 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 1.23 0.47 0.91 0.00 0.00 101 R 9.23 4.10 0.00 1.84 1.81 0.00 3.26 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 1.69 1.61 0.00 102 I 8.61 3.76 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 0.68 0.91 0.00 0.00 103 R 8.02 4.16 0.00 1.77 1.95 0.00 3.17 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 104 T 7.11 4.42 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 8.26 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 0.00 106 E 7.84 4.19 0.00 2.04 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 2.33 2.28 0.00 107 K 8.10 5.11 0.00 1.77 1.66 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.41 7.81 108 N 8.84 4.10 0.00 2.85 1.91 0.00 0.00 7.10 7.37 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 0.00 109 A 8.87 4.77 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 0.00 110 D 8.03 4.37 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.66 4.26 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 0.00 112 I 7.40 4.24 2.03 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 1.16 0.69 0.91 0.00 0.00 *113 S 8.28 4.33 0.00 3.59 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.