NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6015 8.2233 120.5317 54.1649 42.3250 173.7024 3 I 4.5144 8.2243 124.5315 59.3837 38.9282 173.4912 4 R 4.4651 9.5731 127.2640 54.4561 33.2859 174.0326 5 Y 4.9097 8.3277 120.8220 56.2033 40.2664 175.0029 6 F 4.8141 9.2686 122.9729 55.7853 42.4095 175.7478 7 G 3.9109 8.9203 112.3208 46.9042 0.0000 173.7038 8 T 4.0979 7.8920 114.9603 63.1940 68.5031 174.7768 9 T 4.5136 8.3110 115.8590 58.6618 71.4183 173.2823 10 P 4.3188 0.0000 0.0000 64.5799 31.5089 177.4906 11 R 4.4029 7.7709 117.7144 57.6083 31.3510 175.1623 12 Y 4.8278 6.8479 110.5502 56.1397 41.0046 172.8071 13 S 5.0659 8.4158 116.2017 56.7234 64.7883 174.3928 14 E 4.0171 8.4970 123.4753 59.1688 30.1698 177.0060 15 A 5.2033 8.1878 119.1343 50.3184 23.4058 175.4034 16 V 4.8509 9.2516 119.9261 61.0981 34.9998 174.6006 17 G 4.7822 9.2385 114.7299 44.7266 0.0000 171.9221 18 A 4.9530 9.3855 123.1033 51.9665 23.1073 176.1481 19 N 3.9758 9.8260 121.8311 54.5951 37.4627 174.9117 20 G 4.0466 7.9773 105.9668 45.5699 0.0000 172.4098 21 L 4.9117 7.8087 120.1179 53.6890 44.1329 175.8303 22 I 5.0034 8.4800 122.3020 59.6950 40.9519 174.2446 23 F 5.0402 9.6016 126.6049 55.7347 41.0572 174.8279 24 L 4.9679 8.6609 124.5327 53.3661 42.8777 177.2061 25 S 4.2138 8.8160 119.3368 58.4944 63.6939 175.9465 26 G 4.2316 8.5069 109.4840 44.7865 0.0000 173.0035 *28 V 3.4871 7.9633 117.1994 60.2716 32.2279 173.5048 29 P 4.3174 0.0000 0.0000 62.9457 31.5730 176.2026 30 E 4.5763 9.3153 121.6056 56.4878 31.2083 175.6520 31 N 4.9739 7.5324 112.0990 52.2088 42.7938 175.0719 32 G 4.1668 8.9129 103.8322 46.2632 0.0000 172.8370 33 E 4.5003 9.1521 118.0156 57.6182 31.7534 178.0981 34 T 4.3048 7.8717 108.1084 60.6209 71.2947 175.1779 35 A 3.9553 8.5459 123.0626 55.3584 18.3449 179.6534 36 A 3.9319 8.6324 119.4126 55.4997 18.4694 179.6535 37 E 3.9029 8.1492 116.7468 59.9029 29.5286 179.8500 38 Q 4.1712 8.3632 118.1016 59.0414 28.6748 178.9160 39 T 3.7856 8.1749 116.9166 66.4530 68.5054 176.5676 40 A 3.8789 7.9815 122.7349 55.0714 18.3784 179.1689 41 D 4.2028 8.0288 116.5291 57.5047 41.3384 178.6145 42 V 3.4973 7.8675 118.8847 66.0890 31.5009 178.0356 43 L 3.5400 7.9165 118.4246 57.2589 41.1471 179.3013 44 A 4.0633 8.0261 121.0114 55.0569 18.2741 179.7419 45 Q 3.9926 8.1020 116.7921 59.1318 28.7145 178.8363 46 I 3.8873 7.8348 120.8762 64.5301 37.1422 178.0119 47 D 4.5175 8.3836 119.6659 57.6337 40.6330 179.3273 48 R 3.7589 7.7648 117.9425 59.1453 29.9775 179.2855 49 W 4.2168 8.1132 118.6453 59.5275 28.9899 178.7323 50 L 3.9866 8.4610 119.2483 57.6797 41.1788 179.2306 51 A 4.1261 7.8438 122.0303 54.7018 18.0850 179.2589 52 E 3.8853 8.0200 115.9881 59.5774 29.6382 178.6156 53 C 3.9621 7.3820 113.0565 58.7621 28.6464 173.9573 54 G 3.7658 8.0276 109.1544 46.3957 0.0000 173.2164 55 S 4.7595 8.2736 114.5541 56.6086 65.8638 171.2541 56 D 4.5920 7.8802 118.9799 52.2512 41.3781 175.9032 57 K 3.8434 8.3702 117.3398 59.3210 32.4826 177.5031 58 A 4.1916 7.6141 120.5620 52.8961 18.7120 177.0178 59 H 4.8200 8.2593 113.1399 55.3784 30.1322 173.1757 60 V 4.1739 7.7584 119.3352 62.6434 32.4135 175.5378 61 L 4.4749 8.7474 126.5498 56.6546 43.5656 176.2787 62 D 5.3051 7.7940 116.4981 52.9330 45.1180 174.1228 63 A 5.1586 9.1453 126.6667 50.5032 22.6861 174.7270 64 V 4.3950 8.5627 123.2986 61.3254 33.8243 174.5143 65 I 4.5938 8.4882 129.0883 59.7544 39.5923 174.0527 66 Y 5.0982 9.0645 126.0694 56.5388 39.7000 174.7231 67 L 5.0375 8.6946 125.0664 53.0447 43.5889 177.6734 68 R 4.1695 8.8664 124.5451 58.7125 30.6829 175.2209 69 D 5.1872 7.1277 116.4842 51.6175 43.9216 174.9322 *71 G 3.8596 8.5951 104.6622 45.7298 0.0000 173.1426 72 D 4.7480 8.1963 119.2683 54.4298 41.1612 177.5969 73 Y 4.0799 8.2094 121.2917 60.8211 39.1927 177.3516 74 A 3.9467 8.1686 122.1262 55.2300 18.8890 179.5949 75 E 4.0414 7.6546 113.5848 57.2657 29.3039 178.0983 *77 N 4.7297 8.3551 116.7034 52.7866 40.5294 176.7820 78 G 3.7174 8.1258 103.7335 48.0431 0.0000 175.5372 79 V 3.8136 7.5146 119.1488 65.2047 31.5906 177.9010 80 W 4.2414 8.2023 127.6445 60.8476 30.4647 177.4755 81 D 4.4700 8.9116 117.4487 57.1498 40.3377 178.0578 82 A 4.2774 7.6400 117.9444 52.8472 18.9476 177.6313 83 W 4.4201 7.7361 126.5248 58.2624 31.8740 177.2829 84 V 2.8968 7.2782 116.0989 61.0037 31.4521 175.1436 85 A 3.9563 7.7980 124.5579 50.8787 19.0933 177.0470 86 A 4.0165 8.3535 126.7567 53.6877 18.7718 178.0032 87 G 4.0287 9.0735 110.2366 45.8885 0.0000 173.6075 88 R 4.6743 7.8076 118.8366 55.6147 31.2961 175.6357 89 T 4.0902 7.9138 107.7006 60.8254 69.8577 172.4487 90 P 4.7902 0.0000 0.0000 61.6126 33.3394 175.3484 91 A 4.2468 8.5961 122.0444 52.6353 19.3008 176.7307 92 R 5.1694 8.4020 119.6805 54.8344 33.7907 174.0082 93 A 4.7180 8.8444 125.4214 50.3661 23.0705 174.5534 94 C 5.0654 8.5206 120.4005 57.7852 34.3437 173.4311 95 V 4.5447 8.5659 118.1895 59.6253 36.7137 173.8722 96 E 5.0409 8.6434 122.7197 55.0436 31.0076 174.5908 97 A 4.7488 9.1648 128.7658 50.3674 22.9755 175.8655 98 R 3.9577 8.7908 121.4480 56.3671 29.8588 176.3029 99 L 4.7337 8.0741 120.3826 52.7646 44.4078 177.0764 100 A 4.1069 8.7817 121.1364 54.5596 18.7329 178.0340 101 R 4.3068 6.2743 111.3830 53.3512 33.1308 175.1616 102 P 4.2579 0.0000 0.0000 65.4735 31.5019 177.6711 103 E 4.1610 7.8184 115.6484 57.4230 29.8070 176.6077 104 W 4.6794 7.7551 119.7511 56.6072 29.4316 176.2161 105 R 4.6241 9.7486 123.5730 57.3293 31.2499 176.8899 106 V 5.0667 7.6021 116.9395 60.2025 34.4175 173.8569 107 E 4.7325 9.5441 124.1142 54.5111 33.2645 174.0428 108 I 4.8758 8.4092 125.9973 59.3595 40.6414 174.4369 109 K 4.5788 9.2003 128.8736 54.8510 34.1484 174.7101 110 I 5.1531 8.4210 127.8736 59.9395 40.3834 174.6628 111 T 4.8816 8.7199 121.3817 61.9483 72.1804 173.1699 112 A 5.0687 8.9462 126.3517 50.9306 23.2772 174.7296 113 V 4.8911 8.0932 109.3309 59.5016 35.3514 176.7331 114 K 4.3680 8.7000 122.9858 56.3433 32.7213 177.3735 115 R 4.0563 8.2872 121.9167 56.2073 30.9489 176.8210 116 D 4.4835 8.4949 120.7319 54.6870 41.0328 176.5264 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 2 D 8.22 4.60 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.22 4.51 1.75 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.29 0.00 0.00 4 R 9.57 4.47 0.00 1.61 1.24 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 5 Y 8.33 4.91 0.00 2.73 2.82 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 6 F 9.27 4.81 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.91 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 0.00 0.00 0.00 8 T 7.89 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 1.07 0.00 0.00 9 T 8.31 4.51 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 0.74 0.00 0.00 10 P 0.00 4.32 0.00 2.03 2.12 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 11 R 7.77 4.40 0.00 1.84 2.09 0.00 3.50 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 12 Y 6.85 4.83 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 5.07 0.00 3.92 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 14 E 8.50 4.02 0.00 1.16 1.12 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 0.00 2.24 1.87 0.00 15 A 8.19 5.20 1.21 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 16 V 9.25 4.85 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 0.73 0.00 0.00 1.05 0.00 0.00 17 G 9.24 4.78 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 0.00 0.00 0.00 18 A 9.39 4.95 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 19 N 9.83 3.98 0.00 2.79 2.84 0.00 0.00 7.21 7.98 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 20 G 7.98 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 0.00 0.00 0.00 0.00 21 L 7.81 4.91 0.00 1.92 1.51 1.04 0.88 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 22 I 8.48 5.00 1.82 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 1.24 0.67 0.91 0.00 0.00 23 F 9.60 5.04 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.97 0.00 1.74 1.60 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.82 4.21 0.00 3.59 3.58 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 26 G 8.51 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 0.00 0.00 0.00 0.00 *28 V 7.96 3.49 1.10 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 -0.47 0.00 0.00 0.10 0.00 0.00 29 P 0.00 4.32 0.00 1.89 1.93 0.00 2.40 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 30 E 9.32 4.58 0.00 2.00 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 2.27 2.19 0.00 31 N 7.53 4.97 0.00 2.77 2.66 0.00 0.00 7.13 7.53 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 32 G 8.91 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 0.00 0.00 0.00 0.00 33 E 9.15 4.50 0.00 1.93 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 2.26 2.22 0.00 34 T 7.87 4.30 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 1.23 0.00 0.00 35 A 8.55 3.96 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 36 A 8.63 3.93 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 37 E 8.15 3.90 0.00 2.21 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 0.00 2.34 2.36 0.00 38 Q 8.36 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 39 T 8.17 3.79 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 1.21 0.00 0.00 40 A 7.98 3.88 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 41 D 8.03 4.20 0.00 2.79 2.78 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 42 V 7.87 3.50 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 0.88 0.00 0.00 0.82 0.00 0.00 43 L 7.92 3.54 0.00 1.16 0.21 0.43 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.03 4.06 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 45 Q 8.10 3.99 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 46 I 7.83 3.89 2.01 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 1.59 0.82 1.14 0.00 0.00 47 D 8.38 4.52 0.00 2.99 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 48 R 7.76 3.76 0.00 1.63 1.54 0.00 2.91 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 49 W 8.11 4.22 0.00 3.48 3.24 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 50 L 8.46 3.99 0.00 1.87 1.82 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.84 4.13 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 52 E 8.02 3.89 0.00 2.17 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 0.00 2.10 2.14 0.00 53 C 7.38 3.96 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.03 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.27 4.76 0.00 3.74 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 56 D 7.88 4.59 0.00 2.83 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 57 K 8.37 3.84 0.00 0.79 1.49 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.42 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.03 0.87 7.81 58 A 7.61 4.19 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 59 H 8.26 4.82 0.00 3.32 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.76 4.17 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 1.01 0.00 0.00 1.10 0.00 0.00 61 L 8.75 4.47 0.00 1.71 1.66 0.86 0.60 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 62 D 7.79 5.31 0.00 2.75 2.43 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 0.00 63 A 9.15 5.16 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 64 V 8.56 4.39 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 0.31 0.00 0.00 0.88 0.00 0.00 65 I 8.49 4.59 1.60 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.33 0.77 0.00 0.00 66 Y 9.06 5.10 0.00 2.87 2.87 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 67 L 8.69 5.04 0.00 1.63 1.74 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.87 4.17 0.00 2.02 2.02 0.00 3.27 0.00 0.00 3.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.13 5.19 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 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 0.00 0.00 0.00 0.00 72 D 8.20 4.75 0.00 2.95 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 73 Y 8.21 4.08 0.00 2.81 3.01 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 74 A 8.17 3.95 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 75 E 7.65 4.04 0.00 2.22 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 0.00 2.31 2.29 0.00 *77 N 8.36 4.73 0.00 2.79 2.76 0.00 0.00 6.89 7.95 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 78 G 8.13 3.72 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 0.00 0.00 0.00 79 V 7.51 3.81 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 0.98 0.00 0.00 1.04 0.00 0.00 80 W 8.20 4.24 0.00 3.47 3.19 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 81 D 8.91 4.47 0.00 2.74 2.78 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 82 A 7.64 4.28 1.40 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 0.00 0.00 83 W 7.74 4.42 0.00 3.18 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 84 V 7.28 2.90 1.57 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 0.61 0.00 0.00 0.38 0.00 0.00 85 A 7.80 3.96 1.03 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 86 A 8.35 4.02 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 87 G 9.07 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 R 7.81 4.67 0.00 1.61 1.75 0.00 3.07 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 89 T 7.91 4.09 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 1.23 0.00 0.00 90 P 0.00 4.79 0.00 2.26 2.34 0.00 4.05 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 2.45 2.30 0.00 91 A 8.60 4.25 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 92 R 8.40 5.17 0.00 1.81 1.68 0.00 2.21 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 93 A 8.84 4.72 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.52 5.07 0.00 2.83 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 95 V 8.57 4.54 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 0.58 0.00 0.00 0.98 0.00 0.00 96 E 8.64 5.04 0.00 2.03 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 2.49 2.35 0.00 97 A 9.16 4.75 1.25 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 0.00 0.00 98 R 8.79 3.96 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.07 4.73 0.00 1.97 1.91 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.78 4.11 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 0.00 101 R 6.27 4.31 0.00 0.67 1.34 0.00 2.64 0.00 0.00 2.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 102 P 0.00 4.26 0.00 1.97 2.05 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 103 E 7.82 4.16 0.00 2.02 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 0.00 2.30 2.34 0.00 104 W 7.76 4.68 0.00 3.47 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.75 4.62 0.00 1.72 2.01 0.00 3.34 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 106 V 7.60 5.07 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 0.62 0.00 0.00 0.91 0.00 0.00 107 E 9.54 4.73 0.00 2.03 1.91 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 2.30 2.22 0.00 108 I 8.41 4.88 1.85 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 0.76 0.96 0.00 0.00 109 K 9.20 4.58 0.00 1.97 1.77 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 110 I 8.42 5.15 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.99 0.00 0.00 111 T 8.72 4.88 4.12 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 0.00 0.00 0.00 0.63 0.00 0.00 112 A 8.95 5.07 1.17 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 0.00 0.00 113 V 8.09 4.89 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 0.69 0.00 0.00 0.99 0.00 0.00 114 K 8.70 4.37 0.00 1.64 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.44 7.81 115 R 8.29 4.06 0.00 1.64 1.78 0.00 3.08 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.00 116 D 8.49 4.48 0.00 2.66 2.57 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 * Residues marked with a * may have inaccurate shift predictions.