NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4377 0.0000 0.0000 62.1245 32.6573 176.0335 3 L 4.1003 8.3397 120.3177 52.2167 42.2579 174.9670 4 P 4.6630 0.0000 0.0000 61.6471 33.3590 174.2506 5 P 4.5406 0.0000 0.0000 65.4716 32.6534 175.7316 6 D 5.4991 8.1735 120.7086 52.5506 42.8418 175.9414 7 I 4.9930 8.5466 115.9180 59.8585 41.9265 173.4745 8 T 4.7524 8.0563 115.9994 61.0767 71.2367 171.8590 9 F 5.4737 8.5348 121.4131 54.4696 43.4083 174.3427 10 D 4.8384 8.5506 120.7667 52.2161 41.7736 177.4678 11 S 4.2021 8.3033 114.3078 61.8598 62.7954 176.6863 12 L 4.0063 8.0087 122.0157 57.4146 41.3680 179.2867 13 A 4.0803 8.4496 120.7284 54.9617 18.0840 179.4623 14 L 3.5425 7.9156 118.2539 58.1137 42.2558 178.9460 15 I 4.0894 8.0093 119.9223 64.4229 37.0621 178.5826 16 K 4.0356 8.0134 118.9211 59.7082 31.6746 179.3571 17 M 4.0900 8.1045 117.9862 57.7514 31.8032 177.3982 18 H 4.7353 7.5244 114.4269 54.5063 29.7853 175.3440 19 S 4.4314 7.4646 117.2126 57.7168 63.3728 175.3555 20 Q 4.0163 8.6660 119.8012 59.2143 28.3931 177.6614 21 N 4.6517 8.1205 113.0617 53.8897 37.9927 175.5801 22 M 4.5010 7.8987 118.5460 54.9086 32.5308 177.0026 23 K 3.7918 7.5796 121.2391 59.8722 32.2704 178.5954 24 R 3.9053 7.9057 118.0496 59.5517 30.0442 178.3539 25 I 3.7540 7.7059 119.2024 64.1519 37.0713 178.0519 26 L 3.9650 8.3835 121.7861 57.9827 42.0426 178.5202 27 E 3.8939 8.2338 119.3119 59.3772 29.6025 179.0338 28 V 3.6351 7.9842 118.1835 66.3007 31.5313 178.0192 29 T 4.3568 8.3438 115.7577 67.0061 68.1592 176.6457 30 L 4.0813 8.1575 119.4611 57.5426 41.6462 179.0442 31 A 4.1642 7.7886 119.7673 54.1655 18.4895 178.8628 32 K 4.1523 8.1028 115.1231 55.8843 33.2185 176.0837 33 F 5.1471 7.9475 116.1143 55.8526 43.3016 174.7357 34 T 4.5454 8.9863 117.1681 62.2820 70.3309 174.1683 35 V 4.6831 8.5596 127.3915 61.6571 33.3820 174.2804 36 N 5.3774 8.9860 127.0984 51.9223 39.3931 174.0317 37 L 4.5585 8.4391 124.7365 52.7224 43.9099 176.8899 38 S 4.5514 8.5487 118.0624 57.8879 63.2675 174.7092 39 I 3.8101 8.5274 126.2793 64.2498 37.6002 178.6318 40 V 3.7119 7.7943 118.9101 66.1214 31.2252 178.2006 41 T 3.9712 7.9374 115.7834 66.4811 68.1941 176.8761 42 V 3.5881 7.7978 119.7652 66.0277 31.6229 177.1609 43 Y 4.1983 8.4567 119.5167 61.0579 38.6175 178.4577 44 R 3.7822 8.1938 120.1805 58.6173 29.9799 178.4767 45 Y 3.9616 8.3805 119.7310 60.8098 38.6363 178.2321 46 L 3.9695 8.1704 119.0017 57.4088 41.9682 179.3383 47 T 3.9621 7.5499 109.5649 64.4745 69.0633 177.0450 48 A 4.0695 7.9089 123.0050 52.8026 19.6123 177.4214 49 R 4.2685 6.9582 116.6816 54.9246 29.5270 175.6682 *52 L 4.2958 7.5387 116.9068 54.1734 43.5503 177.5354 53 K 4.4325 7.0889 114.9924 57.0702 35.5940 180.5054 54 K 4.3614 7.6977 127.0965 56.2353 34.6947 175.2037 55 N 4.9054 8.4262 118.2590 52.8206 40.3622 176.1192 56 I 3.8057 7.9585 127.0699 64.2164 37.3870 177.8628 57 E 3.9520 8.2266 119.1182 59.5972 29.5846 179.2063 58 A 4.0601 7.9810 120.0913 55.2449 18.6048 179.2250 59 E 4.0090 8.2087 116.9841 59.5679 29.4610 179.3992 60 F 4.0680 8.7066 120.9831 61.3318 39.4020 176.9616 61 E 4.0867 8.3768 117.9285 59.4745 29.1303 179.4539 62 I 3.6858 7.6563 119.2434 64.4071 37.1393 178.4886 63 L 4.0410 7.8514 119.7610 57.7424 41.2420 179.5790 64 K 3.7864 7.8579 118.5192 58.9754 32.0863 177.8707 65 D 4.4581 7.6275 117.7091 56.0246 41.3098 176.6929 66 I 4.0286 7.2875 110.7602 60.8753 38.7627 174.7345 67 Y 4.8870 7.6908 117.7004 56.0956 41.5892 175.5349 68 N 4.7458 8.9705 119.1427 52.3451 39.5427 174.4816 69 I 4.5891 8.2639 125.6921 60.5050 38.3716 175.6989 70 V 4.2239 8.9526 128.3872 60.8249 32.8605 173.9683 71 P 4.7166 0.0000 0.0000 62.1375 32.4434 177.1920 72 L 4.2257 8.0851 123.8498 53.5099 40.4703 176.5367 73 L 4.0882 7.4522 122.4746 53.9775 43.9932 176.8045 74 D 4.3409 8.6216 121.4423 58.1174 40.8353 179.3216 75 D 4.3949 7.9834 118.3114 57.2679 40.7006 178.8058 76 I 3.6946 7.3205 119.8801 63.9627 37.1972 178.0011 77 A 3.9319 8.1734 121.9861 55.1144 18.2659 179.8173 78 I 3.5925 7.8164 118.2836 64.4681 37.1550 178.6663 79 K 4.4333 8.3205 121.6084 58.8965 31.9050 178.6893 80 A 3.9836 8.5617 122.5886 54.5247 18.2803 179.4919 81 A 3.8961 7.9844 119.3318 55.2379 18.3992 179.9897 82 Q 3.8598 7.8545 116.4650 59.0765 28.8277 178.9570 83 I 2.9586 7.7519 121.1084 64.1931 37.0352 178.2021 84 E 3.9179 8.3884 120.2223 59.1301 29.2051 178.6713 85 A 3.9809 8.0208 121.0219 55.0583 18.2129 179.1531 86 N 4.3322 8.0817 115.4709 56.7544 39.0314 177.2384 87 L 4.2057 8.0192 120.5809 57.6798 41.7475 179.3539 88 I 3.7195 8.1593 120.3129 64.2942 36.7913 178.3793 89 K 4.0290 7.6561 119.4826 59.0304 32.0966 178.0909 90 K 4.2723 7.4152 114.6706 55.5193 32.5947 176.2371 91 E 3.7589 8.1156 117.5887 57.8218 27.0874 174.3697 92 I 4.4714 7.8232 118.4636 59.9324 40.0058 177.5061 93 T 4.3617 8.1772 116.4074 60.1659 67.5011 174.0675 94 L 4.4046 7.4048 122.5800 54.0110 43.6669 177.7401 95 D 4.6645 8.3331 123.5652 52.6613 41.7601 177.0143 96 M 3.9736 8.4754 118.1674 58.8128 32.0305 177.3257 97 E 3.9626 8.2393 118.7595 59.6150 29.7208 178.4142 98 D 4.5594 9.0325 119.0148 57.5165 40.8570 178.9024 99 I 3.7576 7.8947 120.2472 64.5590 37.0389 178.6699 100 I 3.7639 8.1018 120.8945 64.4135 36.9066 178.6640 101 T 3.8345 8.2826 116.6807 66.6398 68.3515 176.5851 102 A 3.9250 8.2985 122.7938 55.5004 18.2562 179.8528 103 T 3.8829 8.1475 114.3509 67.0655 68.4083 177.1481 104 T 4.0061 8.3286 117.8453 66.3880 68.3378 176.5805 105 A 3.9480 8.0624 122.7599 55.1905 18.4266 179.7238 106 I 3.6347 7.7867 118.2544 64.7834 37.0049 178.0012 107 Y 4.0138 8.1323 119.4022 60.3904 38.7047 177.3306 108 T 4.2333 8.1331 107.7144 60.4573 69.7548 173.7844 109 N 4.1091 7.7732 118.8958 55.1279 37.9440 173.5264 110 S 4.9840 7.9944 111.9124 56.2945 65.3828 174.6783 111 L 3.9707 8.4103 126.6778 54.8135 43.2226 175.4734 112 L 4.3096 8.6243 129.6321 54.2934 42.9760 175.3297 113 V 4.4239 8.0135 128.1915 61.9885 32.8992 174.6758 114 T 4.7874 8.4731 121.0891 61.2856 70.7580 174.0035 115 D 4.5489 8.9480 124.9025 55.9723 41.8999 176.3822 116 D 5.0080 8.0824 118.5724 51.3858 41.1354 174.2557 117 P 4.4821 0.0000 0.0000 65.7665 31.7245 178.3492 118 K 3.9079 8.1748 119.0616 59.5299 31.8039 178.4259 119 R 3.8288 7.7079 118.0274 58.9970 30.1604 177.1504 120 Y 4.5176 7.8574 114.4132 57.9206 38.3080 176.6898 121 E 3.9638 8.0114 121.9808 59.2656 29.4614 176.9840 122 P 4.4018 0.0000 0.0000 64.7232 31.6301 177.5397 123 I 4.5727 8.1267 118.2495 62.0026 37.4101 177.6544 124 R 4.3168 8.1804 121.7387 58.5017 29.7874 178.7708 125 R 3.7913 7.8040 112.6186 58.2539 29.4151 176.9241 126 F 4.6564 7.7721 116.6997 57.3280 39.0252 176.3420 127 G 4.0919 8.1280 108.7659 45.0185 0.0000 174.0019 128 L 4.2017 8.0037 122.7477 54.6058 43.0317 174.6896 129 D 5.1832 8.5789 125.2264 52.6911 43.8094 175.1393 130 T 5.1465 8.3315 111.8624 60.3678 72.6557 172.7008 131 M 4.7508 8.4617 120.2155 53.6783 36.2684 172.3741 132 P 4.8405 0.0000 0.0000 62.4085 32.5169 176.9664 133 L 4.1053 8.8065 124.6484 58.4497 42.0982 179.1984 134 D 4.4174 8.2102 118.5203 56.7131 39.2113 178.7118 135 K 4.0594 8.4460 120.0028 58.7887 31.9701 179.1097 136 F 4.1400 8.4427 121.0688 61.4609 39.3043 177.1731 137 I 3.5476 8.1802 119.5860 64.4664 36.9195 178.6587 138 K 4.3061 7.9068 120.0727 58.7654 31.8048 179.1272 139 E 3.9123 8.2088 119.8669 59.0677 29.5681 178.9901 140 V 3.5235 7.6727 118.5760 65.8760 31.3712 177.7978 141 E 3.9357 8.2458 118.4475 59.4221 29.3085 179.1044 142 L 4.0956 8.0016 120.2669 58.2520 42.0863 178.6403 143 M 3.9797 8.0757 118.2077 58.5795 32.2091 178.3850 144 V 3.5257 7.8108 118.2146 66.0964 31.5312 177.6163 145 E 3.9670 8.1052 117.0656 59.6291 29.4056 179.3439 146 K 4.1191 8.0008 117.1302 59.3959 32.1353 178.9220 147 E 4.1519 7.9216 118.0718 58.7337 29.4436 178.7508 148 L 4.6892 7.3552 116.6589 54.0140 43.0309 176.7145 149 I 3.7777 7.6550 125.3603 62.3923 38.1490 173.9618 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 P 0.00 4.44 0.00 2.22 2.14 0.00 3.75 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 1.91 2.01 0.00 3 L 8.34 4.10 0.00 2.12 1.99 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.66 0.00 2.22 2.09 0.00 3.86 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 2.03 1.96 0.00 5 P 0.00 4.54 0.00 2.18 2.37 0.00 3.72 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 2.10 2.02 0.00 6 D 8.17 5.50 0.00 2.85 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 7 I 8.55 4.99 1.22 0.00 0.00 0.39 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 0.36 0.65 0.00 0.00 8 T 8.06 4.75 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 1.05 0.00 0.00 9 F 8.53 5.47 0.00 2.72 2.76 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 10 D 8.55 4.84 0.00 2.88 2.88 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 11 S 8.30 4.20 0.00 4.33 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 12 L 8.01 4.01 0.00 1.77 1.80 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.45 4.08 1.54 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 14 L 7.92 3.54 0.00 1.62 1.89 0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.01 4.09 2.10 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.89 0.00 0.00 16 K 8.01 4.04 0.00 2.00 1.87 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.72 7.81 17 M 8.10 4.09 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.50 0.00 18 H 7.52 4.74 0.00 3.24 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.46 4.43 0.00 4.03 4.02 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 20 Q 8.67 4.02 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 21 N 8.12 4.65 0.00 2.86 2.98 0.00 0.00 5.90 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 22 M 7.90 4.50 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 23 K 7.58 3.79 0.00 1.96 1.83 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 R 7.91 3.91 0.00 1.96 1.91 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 25 I 7.71 3.75 2.00 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 1.53 0.80 0.98 0.00 0.00 26 L 8.38 3.97 0.00 1.84 1.79 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.23 3.89 0.00 2.17 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 0.00 2.31 2.32 0.00 28 V 7.98 3.64 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 1.02 0.00 0.00 0.99 0.00 0.00 29 T 8.34 4.36 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 30 L 8.16 4.08 0.00 1.74 1.69 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.79 4.16 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 32 K 8.10 4.15 0.00 1.34 1.19 0.00 1.61 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.53 7.81 33 F 7.95 5.15 0.00 3.03 3.15 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 34 T 8.99 4.55 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 1.32 0.00 0.00 35 V 8.56 4.68 2.60 0.00 0.00 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 1.25 0.00 0.00 36 N 8.99 5.38 0.00 2.62 2.80 0.00 0.00 7.02 8.25 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 37 L 8.44 4.56 0.00 1.50 1.45 -0.02 0.37 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 38 S 8.55 4.55 0.00 3.85 3.73 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 39 I 8.53 3.81 1.94 0.00 0.00 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 1.48 1.43 0.93 0.00 0.00 40 V 7.79 3.71 2.13 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 1.06 0.00 0.00 0.94 0.00 0.00 41 T 7.94 3.97 4.39 0.00 0.00 0.00 0.00 0.00 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 42 V 7.80 3.59 2.39 0.00 0.00 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 0.86 0.00 0.00 43 Y 8.46 4.20 0.00 3.16 3.22 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 44 R 8.19 3.78 0.00 2.07 1.98 0.00 3.49 0.00 0.00 3.50 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 45 Y 8.38 3.96 0.00 3.07 3.10 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 46 L 8.17 3.97 0.00 1.80 1.75 1.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.55 3.96 4.02 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 0.49 0.00 0.00 48 A 7.91 4.07 1.28 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 0.00 0.00 0.00 49 R 6.96 4.27 0.00 1.22 1.59 0.00 2.21 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.26 0.00 *52 L 7.54 4.30 0.00 1.68 1.71 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.09 4.43 0.00 1.63 1.58 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.36 7.81 54 K 7.70 4.36 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.37 7.81 55 N 8.43 4.91 0.00 2.79 2.67 0.00 0.00 6.95 7.74 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 56 I 7.96 3.81 1.90 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 1.53 0.83 0.97 0.00 0.00 57 E 8.23 3.95 0.00 2.01 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 2.39 2.35 0.00 58 A 7.98 4.06 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 59 E 8.21 4.01 0.00 2.36 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 0.00 2.63 2.47 0.00 60 F 8.71 4.07 0.00 3.21 3.27 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 61 E 8.38 4.09 0.00 2.31 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 2.48 2.80 0.00 62 I 7.66 3.69 2.08 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 1.54 1.66 0.92 0.00 0.00 63 L 7.85 4.04 0.00 1.56 1.63 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.86 3.79 0.00 1.34 1.87 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.41 7.81 65 D 7.63 4.46 0.00 2.76 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 66 I 7.29 4.03 1.41 0.00 0.00 0.56 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 -0.36 0.76 0.00 0.00 67 Y 7.69 4.89 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 68 N 8.97 4.75 0.00 3.00 2.83 0.00 0.00 7.35 6.89 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 69 I 8.26 4.59 1.89 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.97 0.00 0.00 70 V 8.95 4.22 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 0.96 0.00 0.00 1.03 0.00 0.00 71 P 0.00 4.72 0.00 1.95 1.99 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 72 L 8.09 4.23 0.00 1.56 1.55 0.88 0.90 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 73 L 7.45 4.09 0.00 1.35 1.39 0.63 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.62 4.34 0.00 2.65 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 75 D 7.98 4.39 0.00 2.63 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 76 I 7.32 3.69 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.06 0.82 0.00 0.00 77 A 8.17 3.93 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 78 I 7.82 3.59 1.86 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 1.39 1.13 0.90 0.00 0.00 79 K 8.32 4.43 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.26 7.81 80 A 8.56 3.98 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 81 A 7.98 3.90 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 82 Q 7.85 3.86 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 83 I 7.75 2.96 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.65 0.60 0.00 0.00 84 E 8.39 3.92 0.00 2.02 1.97 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 2.29 2.35 0.00 85 A 8.02 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 86 N 8.08 4.33 0.00 2.86 3.04 0.00 0.00 7.19 6.30 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 87 L 8.02 4.21 0.00 1.92 1.74 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.16 3.72 2.01 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 1.06 0.91 0.00 0.00 89 K 7.66 4.03 0.00 1.73 2.03 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 90 K 7.42 4.27 0.00 1.98 1.85 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.33 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.71 7.81 91 E 8.12 3.76 0.00 2.14 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 0.00 2.24 2.27 0.00 92 I 7.82 4.47 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.92 0.00 0.00 93 T 8.18 4.36 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 94 L 7.40 4.40 0.00 1.65 1.63 0.95 1.03 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 95 D 8.33 4.66 0.00 2.95 2.81 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 96 M 8.48 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 97 E 8.24 3.96 0.00 2.14 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 0.00 2.47 2.50 0.00 98 D 9.03 4.56 0.00 2.87 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 99 I 7.89 3.76 1.88 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 1.71 0.99 0.90 0.00 0.00 100 I 8.10 3.76 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.97 0.90 0.00 0.00 101 T 8.28 3.83 4.49 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 0.00 0.00 1.16 0.00 0.00 102 A 8.30 3.93 1.47 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 0.00 103 T 8.15 3.88 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 0.00 104 T 8.33 4.01 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 1.23 0.00 0.00 105 A 8.06 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 0.00 106 I 7.79 3.63 2.09 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 1.50 0.98 1.01 0.00 0.00 107 Y 8.13 4.01 0.00 3.03 3.15 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 0.00 108 T 8.13 4.23 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 1.45 0.00 0.00 109 N 7.77 4.11 0.00 2.82 2.86 0.00 0.00 7.01 7.65 0.00 0.00 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 S 7.99 4.98 0.00 3.69 3.52 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 0.00 111 L 8.41 3.97 0.00 1.71 1.38 0.85 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.62 4.31 0.00 1.55 1.41 0.64 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.01 4.42 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 0.66 0.00 0.00 -0.15 0.00 0.00 114 T 8.47 4.79 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 1.24 0.00 0.00 115 D 8.95 4.55 0.00 2.76 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 0.00 116 D 8.08 5.01 0.00 2.74 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 0.00 117 P 0.00 4.48 0.00 2.36 2.35 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 118 K 8.17 3.91 0.00 1.86 2.01 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 R 7.71 3.83 0.00 1.87 1.57 0.00 3.14 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 120 Y 7.86 4.52 0.00 3.19 2.94 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 0.00 121 E 8.01 3.96 0.00 2.25 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 2.33 2.44 0.00 122 P 0.00 4.40 0.00 2.13 2.16 0.00 3.82 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 2.05 2.20 0.00 123 I 8.13 4.57 2.16 0.00 0.00 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 1.70 0.88 1.10 0.00 0.00 124 R 8.18 4.32 0.00 1.95 1.98 0.00 3.48 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 125 R 7.80 3.79 0.00 1.55 1.83 0.00 2.49 0.00 0.00 2.87 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 126 F 7.77 4.66 0.00 3.26 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 0.00 127 G 8.13 4.09 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 0.00 0.00 0.00 128 L 8.00 4.20 0.00 1.79 1.73 0.83 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 0.00 129 D 8.58 5.18 0.00 2.56 2.49 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 0.00 0.00 0.00 130 T 8.33 5.15 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 1.13 0.00 0.00 131 M 8.46 4.75 0.00 2.05 1.87 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 2.54 2.60 0.00 132 P 0.00 4.84 0.00 2.38 1.99 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 133 L 8.81 4.11 0.00 1.86 1.95 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.21 4.42 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 0.00 135 K 8.45 4.06 0.00 2.02 1.94 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 136 F 8.44 4.14 0.00 3.09 3.30 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 0.00 137 I 8.18 3.55 2.06 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 1.70 0.89 0.92 0.00 0.00 138 K 7.91 4.31 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 139 E 8.21 3.91 0.00 2.06 1.97 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 2.32 2.34 0.00 140 V 7.67 3.52 1.97 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 0.98 0.00 0.00 0.16 0.00 0.00 141 E 8.25 3.94 0.00 2.21 1.97 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 2.32 2.43 0.00 142 L 8.00 4.10 0.00 1.85 1.83 0.91 0.73 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 0.00 143 M 8.08 3.98 0.00 2.30 2.05 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 2.52 0.00 144 V 7.81 3.53 2.23 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 0.97 0.00 0.00 0.93 0.00 0.00 145 E 8.11 3.97 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 2.51 0.00 146 K 8.00 4.12 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 147 E 7.92 4.15 0.00 2.17 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 2.49 0.00 148 L 7.36 4.69 0.00 1.61 1.66 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.66 3.78 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 1.27 0.10 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.