NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2354 8.1801 122.4918 54.9414 43.2444 176.0676 2 A 4.4449 8.3127 127.6375 50.6418 21.7811 173.9655 3 M 4.8239 9.1892 123.3523 53.7331 36.7685 173.9175 4 T 4.1866 8.3860 119.6348 63.4526 69.5378 173.9741 5 M 4.4283 8.3843 124.4163 54.4569 32.8182 175.7975 6 E 4.7231 8.3957 122.1615 54.4015 33.3486 176.0698 7 H 4.0380 9.1529 123.1671 59.1067 30.0660 176.4571 8 K 4.0235 7.9985 117.1549 58.5170 33.0201 176.5074 9 D 4.8435 7.2533 119.2755 52.2093 42.2174 176.4658 10 R 4.1435 8.3616 123.5586 55.4062 31.0297 175.7840 11 P 4.6229 0.0000 0.0000 62.6280 29.9880 174.2579 12 L 5.2109 8.0213 126.8245 54.2139 44.0607 175.6080 13 V 4.6238 8.4908 114.2291 59.8787 36.7620 174.6955 14 R 4.9714 8.2131 119.6813 55.4760 32.2264 176.0839 15 V 4.9768 8.5939 120.4880 61.4285 35.7194 173.5399 16 I 4.8244 8.9691 127.8873 59.5709 39.8825 173.9274 17 L 5.2399 9.0470 130.0274 53.4043 44.3308 175.5214 18 T 5.0224 8.7003 120.1062 61.5014 71.7262 172.7392 19 N 4.0750 8.4077 127.0121 52.9914 39.1488 174.5539 20 T 4.3409 8.0641 116.6914 61.5134 69.7798 175.2553 21 G 3.8120 8.0224 112.3649 45.3299 0.0000 174.2956 22 S 4.2167 8.4735 113.2214 60.8771 62.6407 174.5159 23 H 4.4486 7.8799 114.3952 54.1471 29.0397 173.2414 24 P 4.3880 0.0000 0.0000 63.2501 31.6791 175.9761 25 V 4.7666 7.7940 112.0199 59.4910 35.6271 176.0349 26 K 4.0973 9.2874 122.6939 59.0384 32.0665 177.8024 27 Q 4.3690 7.7334 118.9736 54.4148 31.2837 174.1568 28 R 4.2559 8.7188 126.4349 58.6372 31.4315 175.9721 29 S 5.3586 7.9558 113.4921 56.9347 66.8246 173.9769 30 V 4.3894 8.7310 115.9416 59.7508 36.0294 173.8744 31 Y 5.3779 8.3270 119.9395 56.8932 39.7397 175.0433 32 I 4.9288 8.9816 116.7935 59.6529 41.8142 173.6278 33 T 5.2572 8.4716 110.3280 60.3267 71.6601 173.1063 34 A 4.8680 8.7540 123.3572 50.6715 23.4284 174.7903 35 L 4.8186 8.7971 122.4937 54.0637 43.9478 176.0375 36 L 4.4469 8.5142 126.7109 54.5512 41.8775 176.3092 37 D 4.8906 8.9486 125.7068 51.8942 42.3734 176.5233 38 S 4.2147 8.8840 120.3848 60.0010 63.2475 175.8343 39 G 3.7022 8.2895 109.2891 46.6136 0.0000 173.3122 40 A 4.7054 7.9372 123.1480 50.3399 20.4058 177.8414 41 D 4.5471 8.8641 122.1495 56.4923 42.1334 176.2516 42 I 5.3322 7.3747 109.0635 57.8856 41.3627 175.3239 43 T 4.4793 8.3834 119.4813 63.5095 69.9180 173.9407 44 I 5.0162 8.6259 126.2158 59.6340 40.9657 174.5106 45 I 4.6818 8.6420 129.0728 60.0249 38.7943 176.1461 46 S 4.7854 8.8930 121.3016 57.7463 64.2246 175.0719 47 E 3.9884 8.8346 121.9981 59.7941 29.3916 179.5270 48 E 4.2215 8.1271 116.5171 58.4224 29.8827 177.2884 49 D 4.5170 8.0712 117.7855 55.0952 41.5211 176.5407 50 W 4.0676 7.6427 128.8860 55.7130 31.1860 174.0163 51 P 3.7797 0.0000 0.0000 62.7374 30.9384 177.4180 52 T 3.9616 8.4635 113.5463 64.2229 68.6903 174.3954 53 D 4.8352 7.9308 119.5519 52.6829 39.6869 175.6207 54 W 4.8117 7.9222 120.8984 55.1528 29.6100 174.6400 55 P 4.7831 0.0000 0.0000 62.9996 32.1911 175.6951 56 V 5.0332 8.4567 113.5200 60.1072 35.3703 174.6299 57 M 4.8332 9.1795 122.5747 53.7575 35.2470 174.5560 58 E 4.5956 8.5419 117.5676 54.8213 32.5117 175.9680 *70 G 3.7894 8.2226 108.5819 45.5348 0.0000 171.3590 71 I 4.3960 7.9494 118.6890 58.6841 39.7898 173.8370 72 P 4.4256 0.0000 0.0000 62.5623 30.3738 175.2364 73 M 5.0456 8.1632 119.6908 53.4495 34.7359 174.6969 74 R 4.7280 8.6702 118.4174 54.4475 34.0582 174.7413 75 K 4.8865 8.0757 121.1434 54.3249 35.3606 175.2449 76 S 4.5030 8.7334 121.0321 58.6461 62.3940 174.3490 77 R 4.2148 9.3285 127.7667 58.8978 30.2826 176.4128 78 D 4.9707 7.9492 115.7534 53.1962 42.7642 176.1974 79 M 3.1991 8.3633 121.2478 55.3123 33.5038 174.7653 80 I 4.7972 8.3165 126.9576 59.4602 40.4466 174.0329 81 E 4.7672 8.7274 127.6601 54.8480 31.3026 174.2766 82 L 5.1329 9.1122 129.4768 53.2128 45.0625 174.9639 83 G 4.3727 9.1497 114.2044 44.3189 0.0000 172.0818 84 V 4.4844 8.4520 125.9305 62.5737 32.8204 174.4805 85 I 4.8978 8.9963 128.4480 59.6244 39.8659 175.5863 86 N 4.5803 9.6424 125.4275 52.0716 39.6315 176.0299 87 R 3.7177 8.6723 120.1069 59.7177 29.9164 176.7271 88 D 4.6217 8.0838 114.1808 53.1627 39.4374 177.1777 89 G 3.9358 8.8876 109.0286 45.5928 0.0000 174.4602 90 S 4.4005 8.2557 115.0686 57.8188 64.0232 173.0882 91 L 4.9272 8.2180 122.3003 54.1718 42.7279 176.3434 92 E 4.6494 8.7034 123.3098 54.5284 31.6726 176.0682 93 R 4.1749 8.4134 118.0333 55.6954 29.8086 175.0514 94 P 4.6835 0.0000 0.0000 63.1041 32.1668 175.2970 95 L 4.9564 8.9146 120.8618 53.0088 45.8449 175.1348 96 L 5.2764 8.1932 120.0882 53.2329 44.3719 175.7100 97 L 4.3200 8.6490 122.1941 55.6055 44.5240 173.9428 98 F 4.9780 8.7853 118.3733 54.9870 39.0890 174.1701 99 P 4.6411 0.0000 0.0000 62.2764 33.1143 175.5266 100 A 4.7556 8.5441 122.2225 51.3515 20.6948 176.5766 101 V 4.6236 8.6766 118.9223 61.0900 34.8593 174.4966 102 A 4.7488 8.4835 127.4598 51.1610 23.4286 175.1725 103 M 4.7620 8.5143 120.0048 54.4672 30.8817 175.3989 104 V 4.5592 7.7148 115.9366 58.4440 35.8058 176.1631 105 R 4.0223 8.6437 119.7861 59.1395 29.9010 177.1690 106 G 4.3027 7.4038 101.0391 44.7135 0.0000 171.7730 107 S 4.7197 8.2680 115.9855 58.5635 64.4139 173.8353 108 I 4.9574 8.9288 122.7871 59.6219 41.1195 174.5054 109 L 4.7298 9.4095 127.4513 53.7096 43.2262 176.6341 110 G 4.3473 8.3496 113.6845 43.8677 0.0000 173.1549 111 R 4.0458 8.9532 118.8236 58.8004 29.6682 178.8605 112 D 4.3508 7.6299 119.2561 56.8613 39.4249 178.5267 113 C 4.2768 8.0099 118.0697 62.1022 28.2786 175.8073 114 L 4.0159 8.0843 120.7279 57.8513 41.1717 179.4165 115 Q 4.0761 8.6521 120.1173 59.0314 28.8071 178.2232 116 G 3.7086 7.7432 105.6505 47.6914 0.0000 174.9590 117 L 4.3354 7.9977 119.1161 54.8958 41.8524 177.7258 118 G 3.8735 7.9148 106.8163 46.0135 0.0000 173.8762 119 L 4.3634 7.6342 118.9399 53.9656 42.3881 176.6059 120 R 4.6981 8.0427 115.8791 54.4516 32.5847 174.2791 121 L 4.5739 8.2779 119.0279 53.6001 42.9319 176.0752 122 T 4.6203 8.1062 116.5938 61.2055 70.0939 172.3649 123 N 5.0025 8.7087 121.7022 52.3618 37.9235 174.4803 124 L 4.3099 7.8206 124.5203 55.3537 41.9882 176.2100 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 L 8.18 4.24 0.00 1.82 1.64 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.31 4.44 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 3 M 9.19 4.82 0.00 1.96 1.93 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 2.49 2.53 0.00 4 T 8.39 4.19 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 5 M 8.38 4.43 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 6 E 8.40 4.72 0.00 1.97 1.79 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 2.29 2.43 0.00 7 H 9.15 4.04 0.00 3.13 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.00 4.02 0.00 1.88 1.92 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.44 7.81 9 D 7.25 4.84 0.00 2.49 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 10 R 8.36 4.14 0.00 1.79 1.85 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 11 P 0.00 4.62 0.00 2.12 2.22 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 12 L 8.02 5.21 0.00 1.54 1.63 0.92 0.96 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 13 V 8.49 4.62 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 0.85 0.00 0.00 0.95 0.00 0.00 14 R 8.21 4.97 0.00 1.78 1.81 0.00 2.96 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 15 V 8.59 4.98 2.16 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 1.13 0.00 0.00 0.98 0.00 0.00 16 I 8.97 4.82 2.05 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 1.17 1.36 1.06 0.00 0.00 17 L 9.05 5.24 0.00 1.79 1.87 1.09 0.60 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 18 T 8.70 5.02 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 1.10 0.00 0.00 19 N 8.41 4.07 0.00 1.44 1.76 0.00 0.00 7.17 7.38 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 20 T 8.06 4.34 4.13 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 1.08 0.00 0.00 21 G 8.02 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 22 S 8.47 4.22 0.00 3.83 3.90 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 0.00 0.00 0.00 0.00 23 H 7.88 4.45 0.00 3.28 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.39 0.00 2.21 2.10 0.00 3.75 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 2.01 2.00 0.00 25 V 7.79 4.77 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.92 0.00 0.00 26 K 9.29 4.10 0.00 1.72 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.54 7.81 27 Q 7.73 4.37 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.13 0.00 0.00 0.00 0.00 0.00 2.17 2.48 0.00 28 R 8.72 4.26 0.00 1.90 1.87 0.00 3.09 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 29 S 7.96 5.36 0.00 3.58 3.55 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 30 V 8.73 4.39 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 0.45 0.00 0.00 0.59 0.00 0.00 31 Y 8.33 5.38 0.00 2.90 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 32 I 8.98 4.93 1.91 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 1.35 0.91 0.91 0.00 0.00 33 T 8.47 5.26 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 1.22 0.00 0.00 34 A 8.75 4.87 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 35 L 8.80 4.82 0.00 1.78 1.54 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.51 4.45 0.00 1.60 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.95 4.89 0.00 2.69 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 38 S 8.88 4.21 0.00 4.02 3.99 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 39 G 8.29 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 40 A 7.94 4.71 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 8.86 4.55 0.00 2.62 2.73 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 42 I 7.37 5.33 1.88 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 1.36 1.07 0.92 0.00 0.00 43 T 8.38 4.48 4.28 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 1.29 0.00 0.00 44 I 8.63 5.02 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 1.20 0.86 0.87 0.00 0.00 45 I 8.64 4.68 1.97 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 1.39 1.80 1.19 0.00 0.00 46 S 8.89 4.79 0.00 4.02 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 47 E 8.83 3.99 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 2.33 2.33 0.00 48 E 8.13 4.22 0.00 1.97 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 2.32 2.34 0.00 49 D 8.07 4.52 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.64 4.07 0.00 3.49 2.98 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 51 P 0.00 3.78 0.00 0.49 1.02 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.05 0.00 52 T 8.46 3.96 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 1.22 0.00 0.00 53 D 7.93 4.84 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.92 4.81 0.00 2.59 2.91 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 55 P 0.00 4.78 0.00 2.20 2.24 0.00 3.94 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 56 V 8.46 5.03 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 0.76 0.00 0.00 0.96 0.00 0.00 57 M 9.18 4.83 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 58 E 8.54 4.60 0.00 1.93 1.90 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 0.00 2.16 2.27 0.00 *70 G 8.22 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 0.00 0.00 0.00 71 I 7.95 4.40 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 1.41 0.71 0.90 0.00 0.00 72 P 0.00 4.43 0.00 2.02 2.02 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 73 M 8.16 5.05 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 74 R 8.67 4.73 0.00 1.67 1.91 0.00 3.06 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 75 K 8.08 4.89 0.00 1.72 1.60 0.00 1.58 0.00 0.00 1.49 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.35 7.81 76 S 8.73 4.50 0.00 4.02 3.96 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 77 R 9.33 4.21 0.00 1.87 2.05 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 78 D 7.95 4.97 0.00 2.52 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 79 M 8.36 3.20 0.00 1.83 1.43 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.22 0.00 80 I 8.32 4.80 1.92 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 1.04 0.00 0.00 81 E 8.73 4.77 0.00 1.99 1.76 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 2.23 2.21 0.00 82 L 9.11 5.13 0.00 1.76 1.50 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.15 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 84 V 8.45 4.48 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 1.06 0.00 0.00 0.96 0.00 0.00 85 I 9.00 4.90 1.88 0.00 0.00 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 1.29 1.25 0.89 0.00 0.00 86 N 9.64 4.58 0.00 2.90 2.73 0.00 0.00 6.23 5.12 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 87 R 8.67 3.72 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 D 8.08 4.62 0.00 2.81 2.73 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 89 G 8.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.26 4.40 0.00 4.03 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 91 L 8.22 4.93 0.00 1.55 1.65 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.70 4.65 0.00 1.86 1.90 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 0.00 2.30 2.40 0.00 93 R 8.41 4.17 0.00 1.82 1.95 0.00 3.05 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 94 P 0.00 4.68 0.00 2.07 2.10 0.00 3.44 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 95 L 8.91 4.96 0.00 1.58 1.57 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.19 5.28 0.00 1.45 1.44 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.65 4.32 0.00 1.71 1.77 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.79 4.98 0.00 2.90 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 99 P 0.00 4.64 0.00 2.11 2.24 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 100 A 8.54 4.76 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 0.00 101 V 8.68 4.62 1.08 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 0.61 0.00 0.00 -0.37 0.00 0.00 102 A 8.48 4.75 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 0.00 103 M 8.51 4.76 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 104 V 7.71 4.56 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 1.04 0.00 0.00 105 R 8.64 4.02 0.00 1.80 2.01 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 106 G 7.40 4.30 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 0.00 107 S 8.27 4.72 0.00 4.12 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 0.00 108 I 8.93 4.96 1.88 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 1.03 0.92 0.00 0.00 109 L 9.41 4.73 0.00 1.57 1.63 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.35 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 0.00 0.00 0.00 0.00 111 R 8.95 4.05 0.00 1.83 2.01 0.00 3.14 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 112 D 7.63 4.35 0.00 2.78 2.95 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 0.00 113 C 8.01 4.28 0.00 3.14 3.03 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 0.00 114 L 8.08 4.02 0.00 1.71 1.73 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.65 4.08 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 116 G 7.74 3.71 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 0.00 0.00 0.00 117 L 8.00 4.34 0.00 1.80 1.74 0.94 0.80 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 0.00 118 G 7.91 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 0.00 0.00 0.00 119 L 7.63 4.36 0.00 1.68 1.61 0.93 0.85 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 0.00 120 R 8.04 4.70 0.00 1.85 1.84 0.00 3.02 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 121 L 8.28 4.57 0.00 1.65 1.65 0.93 0.78 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 0.00 122 T 8.11 4.62 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 0.00 123 N 8.71 5.00 0.00 2.80 2.83 0.00 0.00 5.93 7.79 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 0.00 124 L 7.82 4.31 0.00 1.66 1.58 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.