NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.9290 8.3393 109.7354 45.8596 0.0000 172.5231 20 E 4.4865 8.0276 117.2685 54.4777 32.1200 172.9916 21 D 4.5069 8.8817 121.4339 53.9680 42.3394 178.0265 22 A 4.4456 8.5146 126.6508 51.5325 19.6535 176.9531 23 I 3.7111 7.9199 120.4821 60.0032 37.8507 174.3372 24 P 3.4509 0.0000 0.0000 64.0995 31.2873 176.4348 25 G 3.7798 8.7128 110.5387 46.2800 0.0000 174.2245 26 S 3.8344 7.7332 116.4536 59.2893 62.8467 174.6016 27 W 3.7850 7.1861 120.5732 53.6675 28.4547 174.0919 28 P 4.5688 0.0000 0.0000 63.4048 31.6297 178.9967 29 W 4.6751 7.0306 115.3614 57.0697 28.9359 175.6264 30 Q 4.5801 7.6322 121.7846 56.6675 28.7832 175.8997 31 V 4.9029 8.9762 119.1038 59.7142 36.2954 174.3506 32 S 5.0672 9.0002 117.4330 56.8098 64.9739 173.0162 33 L 4.9495 8.9122 126.9766 53.5076 43.0274 175.2257 34 Q 5.3308 8.6118 124.1042 54.0808 31.4639 176.4348 35 D 5.4085 8.9825 122.7323 51.6467 41.0659 176.8733 36 K 3.8996 8.6938 117.7569 60.4034 32.1776 177.8942 37 T 4.1121 8.0073 107.0724 62.1397 69.2116 174.9363 38 G 3.7659 8.4364 110.5577 46.1783 0.0000 172.8875 39 F 4.5080 8.7879 119.0953 55.0527 40.3859 174.7931 40 H 4.4756 9.0008 125.9624 56.7007 29.6329 174.0291 41 F 4.9432 8.3553 122.4834 57.7281 40.1213 174.7771 42 C 4.7320 6.7822 114.6470 55.5245 45.0632 173.3058 43 G 4.3786 8.3940 107.8622 45.3742 0.0000 172.3078 44 G 4.4120 8.5829 105.6656 45.5094 0.0000 172.5169 45 S 5.4625 8.8858 115.4910 56.3028 66.7405 173.9020 46 L 4.7416 9.3307 126.5369 55.2225 41.7661 177.9281 47 I 4.3787 8.3940 116.7589 60.6073 38.7098 174.8225 48 S 4.7387 7.7031 113.6971 57.5793 65.0702 173.5529 49 E 3.8436 8.6665 118.3755 58.4975 29.5473 177.4302 50 D 4.9532 8.1144 116.0927 52.2498 41.6537 174.9837 51 W 5.4119 8.2273 119.3581 55.1872 32.6390 174.3283 52 V 5.1100 9.2464 124.4533 61.0384 34.4632 174.2957 53 V 4.8869 8.8150 127.2646 60.7276 34.0969 174.9225 54 T 4.7651 9.0195 117.0986 61.3632 70.7895 171.9391 55 A 4.6725 8.4916 122.0833 51.0108 20.4083 178.8674 56 A 3.8728 8.5927 122.0003 54.3263 18.7444 179.8528 57 H 4.5243 8.3800 110.7717 58.0142 28.9057 176.1488 58 C 4.2823 7.3594 117.8072 58.2438 40.4634 173.7960 59 G 3.6971 7.8819 106.1016 46.3418 0.0000 174.3351 60 V 4.0174 7.7319 117.2742 62.6428 32.4709 174.7875 61 K 4.7022 9.0106 125.4512 54.5052 34.9758 177.4279 62 T 3.9509 8.2807 116.0800 66.4969 68.4781 176.3820 63 S 4.2455 7.9447 114.7328 60.5167 62.9076 173.8073 64 D 4.9224 7.6585 119.8989 54.3847 42.1309 175.7679 65 V 4.7791 9.0996 113.4679 59.6816 35.8647 174.7429 66 V 4.7266 8.7995 123.7114 61.4039 33.5577 174.5329 67 V 4.7936 8.9447 128.1996 61.2199 33.5962 174.3339 68 A 4.9553 8.7431 129.1373 50.2847 22.7207 175.8860 69 G 3.9771 8.6565 104.4878 46.6385 0.0000 173.1836 70 E 4.6219 8.3096 119.3484 54.3174 30.8011 173.4599 71 F 4.9520 8.7138 125.0065 59.4328 41.9550 174.5953 72 D 4.2311 7.8484 126.7840 52.7155 40.7069 175.8305 73 Q 3.6860 8.5865 129.2174 58.9473 29.0782 177.4740 74 G 3.5062 7.7260 104.0819 46.8260 0.0000 172.4532 *78 E 4.1622 7.7382 117.3164 55.6897 30.8653 176.8026 79 N 4.7163 8.3778 115.9365 53.0516 34.6422 174.2854 80 I 4.4331 7.3576 117.5178 61.1258 40.3276 176.6034 81 Q 4.4153 8.8084 121.8150 54.1573 31.8284 175.3082 82 V 4.2909 8.5304 125.6877 62.3053 31.8057 174.8038 83 L 4.7556 9.3253 129.4905 52.8818 44.0518 176.2448 84 K 4.5711 8.1254 124.2342 55.9667 33.9989 175.2169 85 I 4.5895 8.2574 125.8978 60.3380 38.0654 174.8994 86 A 4.4702 8.9096 129.1756 53.4622 20.2197 177.2287 87 Q 4.4894 7.8576 113.2785 53.9442 32.9219 174.7743 88 V 4.5031 8.1914 122.4546 61.4978 33.6982 175.3159 89 F 4.6388 9.4596 129.3373 56.0622 38.9723 174.3544 90 K 4.5398 8.3446 124.4705 55.0813 33.4073 175.5606 91 N 4.5892 8.6673 126.3520 53.4113 39.4628 173.6442 92 P 4.5865 0.0000 0.0000 64.2053 31.8014 176.7225 93 K 4.3433 8.3824 118.1088 56.2707 32.2653 175.9549 94 F 4.9798 7.8649 122.5340 56.7675 39.5877 174.3904 95 N 4.7723 7.9550 125.3134 51.4277 40.7395 175.9162 96 M 3.8276 8.1667 121.2305 57.6915 32.4893 177.8763 97 F 4.2494 8.0760 120.7882 61.2572 39.8425 176.2285 98 T 3.7771 7.8303 109.2394 61.9848 69.5110 174.4932 99 V 3.2708 7.4612 119.9871 63.9981 30.1517 171.7484 100 R 4.6396 7.5596 116.9753 55.4635 32.8239 176.0566 101 N 4.3900 8.6047 114.9836 54.7218 35.8082 176.1263 102 D 4.5959 7.9650 117.6984 53.0571 40.4677 174.8333 103 I 4.8276 7.5376 121.9245 59.5949 42.3243 172.9363 104 T 5.1326 9.2895 124.0209 62.1380 73.2984 172.5556 105 L 5.2904 9.1460 125.9027 53.0337 44.5876 175.2691 106 L 5.2193 9.6897 124.5078 52.8832 44.3103 175.4477 107 K 3.8736 8.8810 126.6751 55.2373 33.1152 175.9693 108 L 4.5267 8.4260 128.3840 54.6507 42.0443 177.2992 109 A 4.1627 9.0171 126.2881 54.9095 18.6823 177.9064 110 T 4.4491 7.6242 104.3018 59.0319 70.5615 172.6477 111 P 4.6321 0.0000 0.0000 62.3568 32.4283 175.8038 112 A 4.3109 9.0082 124.6023 52.1223 19.1273 177.7380 113 Q 4.2683 9.4162 122.6949 55.2767 28.6302 176.1682 114 F 4.7654 8.8492 123.9254 57.5766 39.9891 175.7934 115 S 4.4401 8.8833 119.9083 57.9183 65.0291 174.8677 116 E 3.7641 8.2882 117.4412 59.6419 29.3324 177.9115 117 T 4.2618 7.7763 106.2601 61.2479 69.9697 173.8707 118 V 4.4592 7.1487 122.9034 61.3422 33.7236 174.1060 119 S 2.9025 7.8646 119.7135 57.3166 66.6533 174.0139 120 A 4.9771 8.4540 122.4142 51.0242 20.7692 176.6632 121 V 3.9272 8.5401 118.6898 59.7656 34.0915 175.6359 122 C 4.4312 8.2567 119.9127 59.6048 28.9035 173.0662 123 L 4.6374 8.0291 122.2886 52.3399 43.3405 174.8777 124 P 4.6267 0.0000 0.0000 61.8135 32.5355 175.3927 125 N 4.6715 9.3181 117.0953 52.4970 39.0562 177.1766 126 V 3.6482 8.1963 118.9476 64.4117 31.5743 176.8819 127 D 4.5998 7.8266 118.0585 54.7453 41.4352 176.4594 128 D 4.4289 7.2571 119.0476 54.1431 41.3732 175.2029 129 D 4.6191 7.7935 119.6025 52.6679 44.1848 175.5820 130 F 4.6854 8.4540 125.1616 54.8035 38.6980 173.3451 131 P 4.5832 0.0000 0.0000 60.9361 32.4349 174.8477 132 P 4.2994 0.0000 0.0000 64.4048 31.5996 176.2887 133 G 4.1064 8.9614 110.2576 45.7401 0.0000 174.2599 134 T 3.9014 7.1148 108.9630 61.3477 69.1725 174.2733 135 V 3.7961 8.3804 125.8148 62.6131 31.3042 174.7543 136 C 4.7625 8.4529 124.2941 57.8705 30.8229 172.8300 137 A 4.7194 8.1867 122.4287 50.6006 21.1824 175.4947 138 T 4.4575 8.0557 115.1079 60.2420 70.3636 173.1141 139 T 4.2798 8.5451 116.2150 59.2003 71.9530 174.1957 140 G 3.4651 6.9079 108.2601 45.1042 0.0000 172.9366 141 W 4.5661 8.2974 120.5897 56.0924 29.4723 176.6814 142 G 4.4616 8.2020 104.1779 46.2784 0.0000 173.9264 143 K 4.3807 7.7371 121.1264 54.8567 32.1795 175.7543 144 T 4.6599 8.2820 116.7241 59.9068 70.8692 174.4446 145 K 4.2468 8.9124 127.5297 59.4364 32.9960 176.6902 *146 Y 4.3230 7.6866 120.1774 57.1723 37.6722 176.0360 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 19 G 8.34 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 0.00 0.00 0.00 20 E 8.03 4.49 0.00 2.15 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 2.21 2.44 0.00 21 D 8.88 4.51 0.00 2.79 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 22 A 8.51 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.92 3.71 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.70 0.00 0.00 24 P 0.00 3.45 0.00 1.70 1.52 0.00 3.40 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.86 0.00 25 G 8.71 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 26 S 7.73 3.83 0.00 3.52 3.47 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 27 W 7.19 3.78 0.00 3.03 2.41 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 0.00 28 P 0.00 4.57 0.00 2.16 2.11 0.00 2.71 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 1.95 1.72 0.00 29 W 7.03 4.68 0.00 3.75 3.69 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 30 Q 7.63 4.58 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.73 0.00 0.00 0.00 0.00 0.00 2.01 2.43 0.00 31 V 8.98 4.90 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 0.82 0.00 0.00 1.06 0.00 0.00 32 S 9.00 5.07 0.00 3.51 3.53 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 33 L 8.91 4.95 0.00 0.71 1.13 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.61 5.33 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 35 D 8.98 5.41 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.90 0.00 1.90 2.02 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.47 7.81 37 T 8.01 4.11 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 1.26 0.00 0.00 38 G 8.44 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 39 F 8.79 4.51 0.00 3.31 3.02 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 0.00 0.00 0.00 40 H 9.00 4.48 0.00 2.91 3.21 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.36 4.94 0.00 3.06 3.12 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 0.00 42 C 6.78 4.73 0.00 2.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.39 4.38 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 0.00 44 G 8.58 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 0.00 0.00 0.00 0.00 45 S 8.89 5.46 0.00 3.80 3.80 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 46 L 9.33 4.74 0.00 1.96 1.85 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.39 4.38 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.91 0.00 0.00 48 S 7.70 4.74 0.00 3.99 4.08 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 49 E 8.67 3.84 0.00 1.74 1.49 0.00 0.00 0.00 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 2.17 0.00 50 D 8.11 4.95 0.00 2.45 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 51 W 8.23 5.41 0.00 3.32 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 52 V 9.25 5.11 2.20 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 1.14 0.00 0.00 1.05 0.00 0.00 53 V 8.82 4.89 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 0.78 0.00 0.00 0.94 0.00 0.00 54 T 9.02 4.77 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 1.32 0.00 0.00 55 A 8.49 4.67 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 56 A 8.59 3.87 0.52 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 57 H 8.38 4.52 0.00 3.45 3.66 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.36 4.28 0.00 2.99 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.73 4.02 2.17 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 0.95 0.00 0.00 1.09 0.00 0.00 61 K 9.01 4.70 0.00 1.80 1.67 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.47 7.81 62 T 8.28 3.95 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 1.27 0.00 0.00 63 S 7.94 4.25 0.00 3.82 3.88 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 0.00 0.00 0.00 64 D 7.66 4.92 0.00 2.91 2.92 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 65 V 9.10 4.78 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 0.74 0.00 0.00 0.98 0.00 0.00 66 V 8.80 4.73 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 0.99 0.00 0.00 0.98 0.00 0.00 67 V 8.94 4.79 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 1.02 0.00 0.00 0.89 0.00 0.00 68 A 8.74 4.96 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 69 G 8.66 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.31 4.62 0.00 1.94 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 2.02 2.34 0.00 71 F 8.71 4.95 0.00 2.95 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 72 D 7.85 4.23 0.00 2.52 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 73 Q 8.59 3.69 0.00 1.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 74 G 7.73 3.51 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 0.00 0.00 0.00 *78 E 7.74 4.16 0.00 2.15 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 0.00 2.25 2.43 0.00 79 N 8.38 4.72 0.00 2.87 2.92 0.00 0.00 5.96 7.81 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 80 I 7.36 4.43 1.94 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 1.33 0.49 1.11 0.00 0.00 81 Q 8.81 4.42 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 82 V 8.53 4.29 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 0.77 0.00 0.00 0.91 0.00 0.00 83 L 9.33 4.76 0.00 1.69 1.56 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.13 4.57 0.00 1.94 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 85 I 8.26 4.59 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.93 0.00 0.00 86 A 8.91 4.47 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 87 Q 7.86 4.49 0.00 2.02 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 88 V 8.19 4.50 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 0.88 0.00 0.00 0.94 0.00 0.00 89 F 9.46 4.64 0.00 3.35 3.09 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 0.00 0.00 0.00 90 K 8.34 4.54 0.00 1.81 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 91 N 8.67 4.59 0.00 3.00 2.88 0.00 0.00 6.71 8.51 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 92 P 0.00 4.59 0.00 2.27 2.21 0.00 3.87 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 2.04 2.04 0.00 93 K 8.38 4.34 0.00 1.92 1.93 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 94 F 7.86 4.98 0.00 3.11 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 95 N 7.95 4.77 0.00 2.66 2.60 0.00 0.00 7.12 7.66 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 96 M 8.17 3.83 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 97 F 8.08 4.25 0.00 2.86 2.96 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 98 T 7.83 3.78 4.20 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 1.25 0.00 0.00 99 V 7.46 3.27 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 0.91 0.00 0.00 0.94 0.00 0.00 100 R 7.56 4.64 0.00 1.93 1.84 0.00 3.35 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 101 N 8.60 4.39 0.00 3.00 2.97 0.00 0.00 6.89 8.06 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 0.00 102 D 7.96 4.60 0.00 2.92 2.67 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 0.00 103 I 7.54 4.83 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 1.35 1.22 0.92 0.00 0.00 104 T 9.29 5.13 4.38 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 1.33 0.00 0.00 105 L 9.15 5.29 0.00 1.72 1.77 0.68 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.69 5.22 0.00 1.65 1.65 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.88 3.87 0.00 1.05 1.52 0.00 0.63 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 1.11 7.81 108 L 8.43 4.53 0.00 1.44 1.65 1.01 0.86 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 0.00 109 A 9.02 4.16 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 0.00 110 T 7.62 4.45 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 1.20 0.00 0.00 111 P 0.00 4.63 0.00 2.02 2.02 0.00 3.74 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 1.95 1.93 0.00 112 A 9.01 4.31 1.48 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 0.00 113 Q 9.42 4.27 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 114 F 8.85 4.77 0.00 2.91 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 0.00 115 S 8.88 4.44 0.00 3.94 3.95 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 0.00 116 E 8.29 3.76 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 117 T 7.78 4.26 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 1.16 0.00 0.00 118 V 7.15 4.46 2.21 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 1.04 0.00 0.00 0.96 0.00 0.00 119 S 7.86 2.90 0.00 3.69 3.64 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 0.00 120 A 8.45 4.98 1.55 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 0.00 0.00 121 V 8.54 3.93 0.67 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 0.54 0.00 0.00 -0.08 0.00 0.00 122 C 8.26 4.43 0.00 2.92 2.86 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 0.00 123 L 8.03 4.64 0.00 1.56 1.52 0.83 0.98 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 0.00 124 P 0.00 4.63 0.00 2.29 2.36 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 125 N 9.32 4.67 0.00 2.85 2.75 0.00 0.00 7.19 7.64 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 0.00 126 V 8.20 3.65 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 0.70 0.00 0.00 0.92 0.00 0.00 127 D 7.83 4.60 0.00 2.64 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 0.00 128 D 7.26 4.43 0.00 2.68 2.22 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 0.00 129 D 7.79 4.62 0.00 2.45 2.34 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 0.00 130 F 8.45 4.69 0.00 3.02 2.96 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 0.00 131 P 0.00 4.58 0.00 2.23 2.18 0.00 3.73 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 2.08 1.97 0.00 132 P 0.00 4.30 0.00 2.07 2.05 0.00 3.65 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 0.00 133 G 8.96 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 0.00 134 T 7.11 3.90 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 0.00 135 V 8.38 3.80 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 0.85 0.00 0.00 0.95 0.00 0.00 136 C 8.45 4.76 0.00 2.93 2.77 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 0.00 137 A 8.19 4.72 1.13 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 0.00 0.00 138 T 8.06 4.46 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 1.10 0.00 0.00 139 T 8.55 4.28 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 -0.33 0.00 0.00 140 G 6.91 3.47 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 0.00 0.00 0.00 141 W 8.30 4.57 0.00 3.38 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 0.00 142 G 8.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.74 4.38 0.00 1.85 1.82 0.00 2.03 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.78 7.81 144 T 8.28 4.66 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 145 K 8.91 4.25 0.00 1.81 1.99 0.00 1.80 0.00 0.00 2.02 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.57 7.81 *146 Y 7.69 4.32 0.00 2.32 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.