NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4065 8.0427 122.7712 54.8563 43.7426 175.6294 18 I 3.9951 7.7731 121.4330 60.6066 39.0765 173.4405 19 W 5.2179 9.3616 135.0000 56.3670 34.9424 173.0603 20 G 3.6244 7.1922 109.8081 45.0952 0.0000 171.3754 21 C 4.4221 6.9715 115.2972 55.6277 33.4944 172.1576 22 E 4.7979 8.3125 118.5751 54.4803 31.4372 174.6853 23 L 4.8289 8.6116 128.0685 54.2583 43.5102 176.4961 24 N 4.8027 8.1447 118.4523 52.3706 39.5565 173.3920 25 E 4.0529 8.8588 117.4042 60.0376 30.0319 179.2640 26 Q 4.0840 8.1614 116.4459 59.0008 29.5717 177.1510 27 N 4.7680 8.7361 117.8224 52.0769 37.1865 176.1789 28 K 4.5179 7.8467 118.9838 58.1988 33.5857 177.7162 29 T 5.5555 7.7647 109.0919 58.8536 72.1762 173.2879 30 F 4.7403 8.8056 124.3135 57.0330 43.1801 172.4077 31 E 4.9914 7.9643 125.3489 54.5680 31.7301 175.0054 32 F 5.1769 9.4343 130.3706 57.6846 40.9620 175.2405 33 K 4.5300 8.1442 132.7456 53.6438 33.7059 173.2633 34 V 3.2773 8.3650 126.8899 61.9653 32.1743 173.1274 *43 H 4.3464 8.6623 120.1787 54.8792 28.8544 169.0705 44 Q 4.3764 8.8878 128.1729 54.8355 28.3254 172.2195 45 L 4.7020 9.0711 123.8354 52.9731 45.0423 174.7088 46 A 5.1268 8.3048 128.2294 50.0044 20.6442 175.9702 47 L 4.3770 8.6543 122.7698 56.0347 42.2988 176.6691 48 R 4.6357 9.1030 119.6640 57.5033 32.4644 175.9732 49 T 5.0688 8.1655 107.0209 60.4262 73.1569 171.9744 50 V 5.0013 8.6957 121.8200 61.3029 34.6116 174.0600 51 C 5.2398 9.0724 121.1639 56.9822 33.3783 173.0350 52 L 4.7666 8.3424 119.9822 53.6773 43.3188 176.6081 53 G 4.3105 8.3783 108.8081 44.8462 0.0000 174.4240 54 D 4.7236 8.7873 117.7312 54.3051 39.3274 176.8061 55 K 4.5062 7.7192 116.5939 55.7786 33.7641 176.0469 56 A 4.4986 7.6162 121.7103 51.6711 18.6819 178.2943 57 K 4.2671 7.9456 120.7919 56.1849 33.2996 177.7440 58 D 4.7673 8.1579 121.6466 52.8499 38.7917 174.1718 59 E 4.5412 7.5585 119.5028 53.9852 34.4308 175.6835 60 F 4.8253 8.4124 119.0682 58.3942 39.4302 174.5847 61 H 5.2248 9.7517 121.7213 54.2695 30.8693 174.0353 62 I 5.2907 8.6514 122.2884 59.5494 41.7214 174.6104 63 V 5.0989 8.7097 125.1867 59.9043 34.2691 174.3856 64 E 5.2252 9.7715 122.9281 54.4815 33.6057 174.5640 65 I 4.6516 8.7928 121.9824 60.0772 39.2335 174.8965 66 V 4.8052 8.9936 127.8802 61.7061 33.1828 174.3675 67 D 5.1987 9.4643 130.4727 52.3970 43.8668 177.5034 68 Q 3.8850 8.6282 116.5597 56.6554 27.6116 179.0147 *74 K 4.6330 7.6090 117.6759 56.6372 33.9489 175.2568 75 S 5.1782 7.7618 114.3330 56.9938 66.8914 173.5731 76 V 4.2831 8.6526 124.1613 60.1938 33.7155 172.2737 77 P 4.8793 0.0000 0.0000 62.8824 31.1711 176.3296 78 I 4.6362 9.0563 116.4483 60.6644 40.1251 175.6601 79 A 4.7682 7.9402 123.6083 50.4116 22.6505 174.7690 80 T 5.0884 8.6664 118.3025 61.8858 70.8633 173.6647 81 L 5.0289 8.8564 125.3762 53.1663 47.0474 175.4876 82 K 4.4119 8.6953 117.2367 55.5180 35.5606 173.8620 83 P 4.1246 0.0000 0.0000 65.6105 31.3113 177.1805 84 S 4.5946 7.9788 108.4675 58.2356 63.5912 173.5030 85 I 4.2386 7.4630 119.2586 62.5004 39.1735 176.4343 86 L 4.3238 8.4824 128.8728 53.9391 43.0268 173.0687 87 P 4.5969 0.0000 0.0000 62.1987 31.7247 174.8069 88 M 5.1182 7.5037 114.3895 55.3518 33.9077 173.2936 89 A 4.7392 8.7047 119.6340 50.9920 23.2765 175.1982 90 T 4.8126 8.4445 116.8090 62.6062 69.9878 174.2095 91 M 4.5822 8.8523 126.8110 53.8466 33.5184 175.9976 92 V 4.2338 8.0542 121.8952 62.1734 34.3140 176.3024 93 G 3.7773 9.0071 114.4747 45.5741 0.0000 173.2496 94 I 4.1816 7.1629 121.4475 60.3849 37.7418 174.3976 95 E 5.0803 8.6591 126.8342 54.3876 31.6450 175.6777 96 L 4.8318 9.4972 125.6540 52.8404 45.2464 175.4507 97 D 4.9322 8.6688 123.1349 52.9596 41.5052 174.8022 98 P 4.5996 0.0000 0.0000 62.0911 32.1094 174.4915 99 P 4.7856 0.0000 0.0000 63.2096 32.6453 175.8602 100 V 4.5407 8.4008 113.2468 60.3915 36.5294 173.9170 101 T 5.1000 8.3419 119.6853 61.8790 71.8878 173.1276 102 F 5.2389 9.1079 123.6725 55.8935 41.3720 174.6319 103 R 4.9936 9.1443 124.6191 54.1484 32.6899 175.4861 104 L 4.6745 8.5625 129.5751 54.0457 38.8462 175.6479 105 K 4.1304 8.3546 123.5225 59.0188 33.1812 176.5363 106 A 4.6264 8.2685 119.0740 51.5000 22.7522 176.4554 107 G 4.4245 9.0442 107.7743 45.4660 0.0000 173.9738 108 S 4.1134 8.3686 114.1374 58.4227 63.8852 175.3589 109 G 3.8074 8.0712 108.7252 43.4732 0.0000 169.9400 110 P 4.4291 0.0000 0.0000 62.4907 32.4574 175.6017 111 L 4.8315 8.6526 126.1030 53.3023 45.2435 174.4107 112 Y 5.2386 8.8232 123.9487 56.3949 40.4683 174.6857 113 I 4.9857 8.0412 123.7533 59.4420 40.4730 174.8186 114 S 4.8330 8.7598 120.0392 57.0326 66.8344 172.7880 115 G 4.5395 9.1437 107.0891 46.3786 0.0000 172.1064 116 Q 5.1150 8.5875 117.9952 54.4042 33.3714 174.7032 117 H 4.6738 8.6229 124.3851 56.7730 29.4918 176.6804 118 V 4.1037 8.5959 121.6832 61.4850 31.6020 173.2224 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 17 L 8.04 4.41 0.00 1.83 1.61 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.77 4.00 1.89 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 1.22 0.80 0.93 0.00 0.00 19 W 9.36 5.22 0.00 3.26 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 20 G 7.19 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.97 4.42 0.00 2.28 1.43 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 22 E 8.31 4.80 0.00 2.07 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 2.12 2.08 0.00 23 L 8.61 4.83 0.00 1.64 1.59 1.10 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.14 4.80 0.00 2.86 2.72 0.00 0.00 6.91 8.66 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 25 E 8.86 4.05 0.00 2.09 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 2.29 2.32 0.00 26 Q 8.16 4.08 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.23 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 27 N 8.74 4.77 0.00 2.74 2.83 0.00 0.00 7.16 6.81 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 28 K 7.85 4.52 0.00 1.74 1.89 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.69 7.81 29 T 7.76 5.56 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 1.26 0.00 0.00 30 F 8.81 4.74 0.00 3.35 3.17 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 31 E 7.96 4.99 0.00 1.78 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 2.14 2.04 0.00 32 F 9.43 5.18 0.00 3.64 3.32 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 33 K 8.14 4.53 0.00 1.54 1.57 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 0.97 7.81 34 V 8.37 3.28 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 *43 H 8.66 4.35 0.00 2.95 2.97 0.00 7.21 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.89 4.38 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 45 L 9.07 4.70 0.00 1.42 1.14 -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.30 5.13 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 47 L 8.65 4.38 0.00 1.55 1.62 1.07 0.75 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 48 R 9.10 4.64 0.00 1.71 1.91 0.00 3.27 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 49 T 8.17 5.07 4.34 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 1.20 0.00 0.00 50 V 8.70 5.00 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 1.04 0.00 0.00 0.92 0.00 0.00 51 C 9.07 5.24 0.00 3.03 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 52 L 8.34 4.77 0.00 1.53 1.49 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.38 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 54 D 8.79 4.72 0.00 2.80 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 55 K 7.72 4.51 0.00 1.71 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.34 7.81 56 A 7.62 4.50 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 57 K 7.95 4.27 0.00 1.71 1.74 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.36 7.81 58 D 8.16 4.77 0.00 2.63 2.53 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 0.00 0.00 0.00 0.00 59 E 7.56 4.54 0.00 1.97 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 2.39 2.30 0.00 60 F 8.41 4.83 0.00 3.06 3.13 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 0.00 0.00 0.00 0.00 61 H 9.75 5.22 0.00 3.09 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.65 5.29 1.91 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 1.34 1.29 1.00 0.00 0.00 63 V 8.71 5.10 2.15 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 1.00 0.00 0.00 1.09 0.00 0.00 64 E 9.77 5.23 0.00 2.07 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 0.00 2.43 2.28 0.00 65 I 8.79 4.65 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.14 0.83 0.00 0.00 66 V 8.99 4.81 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 1.01 0.00 0.00 0.94 0.00 0.00 67 D 9.46 5.20 0.00 2.40 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 68 Q 8.63 3.88 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 *74 K 7.61 4.63 0.00 1.70 1.85 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 75 S 7.76 5.18 0.00 3.69 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 76 V 8.65 4.28 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 0.80 0.00 0.00 0.93 0.00 0.00 77 P 0.00 4.88 0.00 1.99 2.00 0.00 3.68 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 2.03 2.10 0.00 78 I 9.06 4.64 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.04 0.00 0.00 79 A 7.94 4.77 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 80 T 8.67 5.09 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 1.27 0.00 0.00 81 L 8.86 5.03 0.00 1.55 1.66 0.92 0.94 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 82 K 8.70 4.41 0.00 1.41 1.44 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.00 1.00 7.81 83 P 0.00 4.12 0.00 2.00 2.07 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 84 S 7.98 4.59 0.00 3.93 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 85 I 7.46 4.24 1.92 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 1.20 1.01 1.00 0.00 0.00 86 L 8.48 4.32 0.00 1.67 1.55 0.94 1.19 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 87 P 0.00 4.60 0.00 2.24 2.40 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 88 M 7.50 5.12 0.00 2.00 2.12 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 2.45 2.52 0.00 89 A 8.70 4.74 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 90 T 8.44 4.81 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 91 M 8.85 4.58 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 92 V 8.05 4.23 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 1.02 0.00 0.00 0.93 0.00 0.00 93 G 9.01 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 0.00 0.00 0.00 94 I 7.16 4.18 1.89 0.00 0.00 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 1.25 0.61 0.95 0.00 0.00 95 E 8.66 5.08 0.00 1.81 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 2.19 2.27 0.00 96 L 9.50 4.83 0.00 1.40 1.52 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.67 4.93 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 1.81 1.70 0.00 3.74 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 99 P 0.00 4.79 0.00 2.05 2.00 0.00 3.72 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 1.96 1.96 0.00 100 V 8.40 4.54 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 0.69 0.00 0.00 0.96 0.00 0.00 101 T 8.34 5.10 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 1.33 0.00 0.00 102 F 9.11 5.24 0.00 3.24 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 0.00 103 R 9.14 4.99 0.00 1.87 1.95 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 104 L 8.56 4.67 0.00 1.73 1.62 1.00 0.61 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 0.00 105 K 8.35 4.13 0.00 2.02 1.88 0.00 1.99 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.50 7.81 106 A 8.27 4.63 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 0.00 107 G 9.04 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.37 4.11 0.00 3.97 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 0.00 109 G 8.07 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 0.00 0.00 0.00 110 P 0.00 4.43 0.00 1.62 1.84 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 111 L 8.65 4.83 0.00 1.57 1.37 0.94 0.93 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 0.00 112 Y 8.82 5.24 0.00 3.00 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 0.00 113 I 8.04 4.99 1.49 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.67 0.00 0.00 114 S 8.76 4.83 0.00 3.80 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 0.00 115 G 9.14 4.54 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 0.00 0.00 0.00 116 Q 8.59 5.11 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 117 H 8.62 4.67 0.00 3.04 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.60 4.10 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 0.67 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.