NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 P 4.4747 0.0000 0.0000 62.5430 32.8399 174.6141 38 V 4.5638 8.0789 118.8609 60.9557 33.9820 172.9954 39 I 4.5253 9.4996 129.2426 59.6795 39.6890 174.1062 40 E 5.0368 8.7461 127.2040 55.2039 30.2242 176.2766 41 I 4.4329 8.7353 127.0406 60.9990 37.6745 175.8051 42 N 4.9995 10.0124 122.5879 52.3953 40.7065 174.4069 43 D 4.7595 7.7787 116.4707 51.6926 45.5551 175.3633 44 Q 4.1295 8.7678 124.9210 59.2810 28.7820 179.0623 45 E 4.0248 8.3321 119.0197 59.4006 29.5038 178.9938 46 Q 4.0415 8.5287 119.5173 59.1730 29.2444 177.8862 47 F 4.0803 8.4107 121.6070 61.8511 39.3619 177.2148 48 T 3.8720 8.3704 115.2289 66.7136 68.2022 175.9147 49 Y 4.1508 8.3423 121.6129 60.9561 38.6723 178.3465 50 L 3.7755 8.0791 118.2904 56.7471 41.7984 178.4185 51 T 4.2781 7.2707 107.6055 61.2706 69.5891 174.6136 52 T 4.3162 7.8770 108.9144 62.1330 70.4387 175.8929 53 T 3.6864 8.7885 117.3200 65.8174 69.3103 174.8210 54 A 4.2684 7.3182 119.9788 51.6270 19.3051 177.5095 55 A 3.9984 8.0468 122.3842 53.1448 19.7005 179.6230 56 G 3.7230 7.7045 104.1111 47.3289 0.0000 174.0685 57 D 4.9010 8.5567 123.1045 52.6223 39.7113 176.2717 58 K 4.2600 7.7554 118.7873 56.6863 32.8996 177.1281 59 L 4.3331 8.4529 123.3084 54.9812 43.1604 175.8957 60 I 4.7032 8.7781 123.8907 59.4460 40.3775 174.4750 61 V 4.8304 8.9187 127.5734 61.2202 33.7456 174.0858 62 L 5.1016 9.3313 128.5715 53.3294 44.0741 174.7971 63 Y 4.6408 8.7495 125.5424 55.8307 40.8472 174.0787 64 F 4.8499 8.8695 127.1120 56.4573 41.2109 175.0546 65 H 4.7717 8.2412 117.7074 54.7003 32.4408 171.6315 66 T 4.4762 7.6512 107.9354 59.4753 71.3133 174.3817 67 S 4.2140 8.2518 117.0583 60.2667 63.3681 175.2912 68 W 4.5643 6.5337 117.5288 54.2649 26.5786 174.3165 *74 A 4.0779 7.5606 124.5320 52.4201 19.6563 177.9132 75 L 4.0502 8.4618 124.5664 57.3610 42.0747 178.7761 76 K 3.8100 8.1124 119.6459 59.9070 32.0433 178.1649 77 Q 3.9737 7.7240 117.4316 59.1429 28.5535 179.4827 78 V 3.5397 7.6882 118.5174 65.8661 31.7138 177.6170 79 F 3.9941 8.1681 120.4431 61.1703 38.9178 176.5858 80 E 3.6704 8.2406 117.7914 59.1634 29.7508 178.3347 81 A 4.0267 8.1076 120.9210 55.3276 18.5867 179.7015 82 I 3.5342 7.8336 118.7740 64.3219 36.8995 178.7841 83 S 2.7900 7.1264 113.9047 60.1234 62.8954 175.2678 84 N 4.6234 7.4907 118.7002 52.1987 38.7031 174.4560 85 E 4.0473 7.4459 122.1698 55.3614 30.3121 175.9969 86 P 4.2150 0.0000 0.0000 65.7830 31.5097 178.0791 87 S 4.3675 8.0045 109.5811 59.6625 63.3861 174.0304 88 N 4.9901 8.3147 119.4884 53.2140 38.5626 176.9270 89 S 4.2006 8.0468 115.8990 60.7889 63.0848 174.4862 90 N 4.7378 8.0848 117.7076 53.0107 38.7165 173.6820 91 V 4.4421 7.5646 116.1653 60.9600 34.0095 174.8942 92 S 4.7010 8.4891 123.1924 56.9841 65.1882 173.1117 93 F 5.3284 8.8081 122.4013 55.8976 41.7063 173.9118 94 L 5.4062 9.4852 125.2336 52.8917 44.4972 175.7268 95 S 5.1659 9.2391 119.1300 56.7832 65.7615 173.2550 96 I 4.4516 8.4212 124.0742 59.0735 40.3385 174.5242 97 D 4.1891 8.4840 127.6416 53.5656 41.0904 176.6761 98 A 4.1642 8.5743 131.0188 54.6152 18.6914 178.1232 99 D 4.4721 7.9288 114.5833 57.2544 41.4661 177.0103 100 E 4.2266 8.4031 116.7356 57.7730 30.5080 176.4488 101 N 5.0744 7.6457 116.0073 51.1008 39.0622 174.9649 102 S 4.1256 8.0697 118.7480 61.8823 63.5518 176.4542 103 E 3.9678 8.1033 120.5237 59.4498 29.2626 179.4185 104 I 3.6784 7.6159 119.3805 64.3834 37.0733 178.4397 105 S 4.0941 8.2522 116.0940 61.5215 62.6295 176.3262 106 E 3.8607 8.5207 122.4014 59.1597 29.1367 178.5343 107 L 3.7818 7.6540 119.2244 57.7665 42.1580 178.0812 108 F 4.5201 7.7703 114.2025 55.9937 39.7764 175.4090 109 E 3.6852 7.8539 117.3106 57.2244 27.4184 175.5916 110 I 3.3519 7.5456 118.7538 61.3489 37.6694 176.8299 111 S 4.5055 7.9113 116.9173 57.4228 64.1699 173.4123 112 A 4.5411 7.0763 121.6544 51.3274 21.6598 175.9085 113 V 4.6478 7.8744 113.5254 58.4650 35.5532 174.0443 114 P 4.5150 0.0000 0.0000 63.3060 32.8808 174.4185 115 Y 5.0185 8.3863 121.5084 56.2156 42.7361 173.4668 116 F 5.5892 8.5212 124.1854 55.8650 42.4298 174.5674 117 I 5.0709 9.0131 122.7276 59.6970 41.3475 174.1541 118 I 4.9823 8.9843 127.7414 59.7375 39.3313 174.8284 119 I 5.1630 8.8291 127.6282 60.0986 41.1675 174.2114 120 H 4.8542 9.3846 123.4953 55.7212 33.7579 173.7315 121 K 3.7898 9.5698 124.6310 57.6194 29.5820 175.9516 122 G 3.9448 8.5344 102.9462 46.0058 0.0000 173.7582 123 T 4.7086 7.8317 113.1099 59.6289 70.4458 173.0347 124 I 4.4498 8.3880 127.8747 61.4444 37.9109 175.7817 125 L 4.4009 9.0405 126.6439 56.8766 42.2424 177.1426 126 K 4.7241 7.8592 118.0042 55.1090 35.7662 174.0354 127 E 5.2031 8.7924 124.0273 54.5205 33.1077 175.3468 128 L 4.5284 8.2835 124.4125 53.3688 45.4604 176.1533 129 S 4.8656 8.9911 122.5816 58.7962 61.5871 173.9726 130 G 4.4431 8.8399 114.9024 45.8307 0.0000 171.4314 131 A 4.5348 7.1598 118.2065 51.2780 18.0699 177.6664 132 D 5.0319 8.5282 115.3083 51.5563 43.3798 175.4474 133 P 4.3532 0.0000 0.0000 66.0322 31.2513 178.9804 134 K 3.9563 8.0625 116.3596 59.6009 32.0321 179.1512 135 E 3.9894 8.8646 119.1610 59.3091 29.2781 178.8144 136 Y 3.9280 8.0847 119.5927 60.7819 38.8615 178.2672 137 V 3.1129 7.9233 119.4632 65.6910 31.4528 177.9374 138 S 3.9639 8.0407 113.0289 61.0826 62.0230 175.8747 139 L 3.8340 7.5522 121.7908 58.0283 41.9468 178.1979 140 L 3.9424 7.3849 118.9049 58.3927 42.1900 178.6012 141 E 4.1084 8.2478 118.4575 59.1691 28.7850 179.2186 142 D 4.5423 8.0607 115.3667 55.4337 39.5288 178.2454 *144 K 4.3363 7.9856 121.6308 56.5166 34.0036 177.7752 145 N 4.4751 8.2342 116.3936 56.2266 39.2264 176.2505 146 S 4.2316 7.7568 113.0855 60.4519 63.2268 174.8463 147 V 4.2382 6.9352 113.8734 59.4074 31.8250 175.6088 148 N 4.5285 8.3099 121.2735 52.8688 37.3237 174.5336 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 37 P 0.00 4.47 0.00 2.08 2.07 0.00 3.66 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 38 V 8.08 4.56 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 1.05 0.00 0.00 0.84 0.00 0.00 39 I 9.50 4.53 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.99 0.00 0.00 40 E 8.75 5.04 0.00 1.90 1.94 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 2.38 2.24 0.00 41 I 8.74 4.43 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 1.02 0.00 0.00 42 N 10.01 5.00 0.00 2.64 2.81 0.00 0.00 6.77 8.12 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 43 D 7.78 4.76 0.00 2.77 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 44 Q 8.77 4.13 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 45 E 8.33 4.02 0.00 2.36 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 0.00 2.42 2.46 0.00 46 Q 8.53 4.04 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 47 F 8.41 4.08 0.00 3.28 3.34 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 48 T 8.37 3.87 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 1.28 0.00 0.00 49 Y 8.34 4.15 0.00 3.07 3.21 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 50 L 8.08 3.78 0.00 1.54 1.61 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.27 4.28 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 0.50 0.00 0.00 52 T 7.88 4.32 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 1.22 0.00 0.00 53 T 8.79 3.69 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 1.33 0.00 0.00 54 A 7.32 4.27 0.37 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 55 A 8.05 4.00 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 56 G 7.70 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 57 D 8.56 4.90 0.00 2.77 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 58 K 7.76 4.26 0.00 1.75 1.75 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.45 7.81 59 L 8.45 4.33 0.00 1.48 1.48 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.78 4.70 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.86 0.85 0.00 0.00 61 V 8.92 4.83 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 1.64 0.00 0.00 0.84 0.00 0.00 62 L 9.33 5.10 0.00 1.61 1.22 0.69 0.63 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 63 Y 8.75 4.64 0.00 1.75 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 0.00 0.00 0.00 64 F 8.87 4.85 0.00 2.76 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 65 H 8.24 4.77 0.00 2.85 2.33 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.65 4.48 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 0.56 0.00 0.00 67 S 8.25 4.21 0.00 4.08 4.04 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 68 W 6.53 4.56 0.00 3.42 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 *74 A 7.56 4.08 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 L 8.46 4.05 0.00 1.81 1.74 0.99 0.65 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 76 K 8.11 3.81 0.00 1.91 1.82 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.62 7.81 77 Q 7.72 3.97 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 78 V 7.69 3.54 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 1.16 0.00 0.00 0.94 0.00 0.00 79 F 8.17 3.99 0.00 2.66 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 80 E 8.24 3.67 0.00 1.97 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 0.00 2.25 2.27 0.00 81 A 8.11 4.03 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 82 I 7.83 3.53 1.75 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.76 0.00 0.00 83 S 7.13 2.79 0.00 3.34 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 84 N 7.49 4.62 0.00 2.83 2.80 0.00 0.00 6.85 7.67 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 85 E 7.45 4.05 0.00 2.08 1.83 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 2.39 2.35 0.00 86 P 0.00 4.22 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 87 S 8.00 4.37 0.00 3.96 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 88 N 8.31 4.99 0.00 2.94 3.17 0.00 0.00 6.67 7.51 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 89 S 8.05 4.20 0.00 4.01 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 90 N 8.08 4.74 0.00 2.68 2.80 0.00 0.00 6.73 7.71 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 91 V 7.56 4.44 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 0.16 0.00 0.00 0.86 0.00 0.00 92 S 8.49 4.70 0.00 3.67 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 93 F 8.81 5.33 0.00 3.02 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 94 L 9.49 5.41 0.00 1.64 1.66 0.90 0.55 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 95 S 9.24 5.17 0.00 4.00 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 0.00 96 I 8.42 4.45 0.86 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.67 0.68 0.00 0.00 97 D 8.48 4.19 0.00 2.52 2.44 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 0.00 98 A 8.57 4.16 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 99 D 7.93 4.47 0.00 2.58 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 0.00 100 E 8.40 4.23 0.00 1.97 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 2.36 2.44 0.00 101 N 7.65 5.07 0.00 2.78 2.66 0.00 0.00 6.83 8.03 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 0.00 102 S 8.07 4.13 0.00 3.86 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 0.00 103 E 8.10 3.97 0.00 2.04 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 2.48 2.45 0.00 104 I 7.62 3.68 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.57 0.00 0.00 105 S 8.25 4.09 0.00 3.99 3.82 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 0.00 106 E 8.52 3.86 0.00 2.03 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 2.25 2.27 0.00 107 L 7.65 3.78 0.00 1.58 1.65 0.70 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 108 F 7.77 4.52 0.00 2.89 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 0.00 109 E 7.85 3.69 0.00 2.04 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 2.19 2.19 0.00 110 I 7.55 3.35 1.54 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.35 0.51 0.00 0.00 111 S 7.91 4.51 0.00 3.82 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 0.00 112 A 7.08 4.54 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 0.00 113 V 7.87 4.65 1.87 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 0.62 0.00 0.00 0.74 0.00 0.00 114 P 0.00 4.52 0.00 2.03 2.16 0.00 3.67 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 2.22 2.00 0.00 115 Y 8.39 5.02 0.00 3.10 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 5.59 0.00 2.99 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 0.00 117 I 9.01 5.07 1.91 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 1.38 0.92 0.98 0.00 0.00 118 I 8.98 4.98 1.91 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 1.33 0.85 0.92 0.00 0.00 119 I 8.83 5.16 1.93 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 1.31 0.97 1.02 0.00 0.00 120 H 9.38 4.85 0.00 3.13 3.10 0.00 5.73 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 0.00 121 K 9.57 3.79 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 0.96 7.81 122 G 8.53 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 0.00 123 T 7.83 4.71 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 1.28 0.00 0.00 124 I 8.39 4.45 2.00 0.00 0.00 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 1.76 0.91 1.05 0.00 0.00 125 L 9.04 4.40 0.00 1.53 1.74 0.92 0.73 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 0.00 126 K 7.86 4.72 0.00 1.81 1.61 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 127 E 8.79 5.20 0.00 1.95 1.81 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 2.34 2.38 0.00 128 L 8.28 4.53 0.00 1.70 1.53 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.99 4.87 0.00 4.12 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 0.00 130 G 8.84 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 0.00 0.00 0.00 0.00 131 A 7.16 4.53 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 0.00 132 D 8.53 5.03 0.00 2.98 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 0.00 133 P 0.00 4.35 0.00 2.21 2.21 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 134 K 8.06 3.96 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 135 E 8.86 3.99 0.00 2.13 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 2.40 2.57 0.00 136 Y 8.08 3.93 0.00 2.73 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 0.00 137 V 7.92 3.11 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 0.90 0.00 0.00 0.87 0.00 0.00 138 S 8.04 3.96 0.00 3.98 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 0.00 139 L 7.55 3.83 0.00 1.68 1.78 0.90 0.81 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 0.00 140 L 7.38 3.94 0.00 1.17 1.49 0.85 0.99 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 0.00 141 E 8.25 4.11 0.00 1.93 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 2.38 2.42 0.00 142 D 8.06 4.54 0.00 2.80 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 *144 K 7.99 4.34 0.00 1.92 1.85 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.48 7.81 145 N 8.23 4.48 0.00 2.76 2.93 0.00 0.00 7.25 7.26 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 0.00 146 S 7.76 4.23 0.00 3.89 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 0.00 147 V 6.94 4.24 1.87 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 0.64 0.00 0.00 0.70 0.00 0.00 148 N 8.31 4.53 0.00 2.73 2.88 0.00 0.00 6.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.