NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1573 8.1633 120.7504 55.3131 33.6885 174.0035 2 R 4.9851 9.0737 123.2862 51.7494 32.8857 170.1853 3 V 5.2705 8.6604 120.4746 59.1046 36.2815 174.4239 4 V 4.4721 8.4989 121.7927 61.3212 33.4700 173.8558 5 I 4.6888 8.4219 128.9169 60.8466 38.9776 175.3171 6 Q 5.0229 8.8230 124.6834 54.0626 33.0009 174.4587 7 R 4.2239 8.8937 125.5724 56.4311 31.4514 175.6659 8 V 5.0880 8.9563 118.7265 59.7237 35.6635 176.5721 9 K 4.3725 8.5975 123.5810 56.7931 32.5005 177.4900 10 G 4.8730 7.2034 110.7708 45.5288 0.0000 171.4082 11 A 5.3925 8.0425 121.7424 50.0715 23.4004 175.4803 12 I 4.7448 8.9038 120.7765 59.4810 40.3304 174.3581 13 L 4.9861 8.8647 131.0987 53.8471 43.7578 175.5571 14 S 5.0538 9.1674 120.4750 56.8953 66.8248 173.7615 15 V 4.7734 8.4351 115.5567 59.6544 34.8758 174.7688 16 R 4.6500 8.6611 123.3487 56.7921 30.6961 178.0419 17 K 4.4646 8.3165 130.8322 54.7735 34.4661 173.6704 18 E 4.3668 8.7203 115.3706 56.5608 30.4521 171.6536 *23 N 4.8826 8.5909 124.5818 51.8114 40.9766 175.8560 24 E 4.5841 8.0861 110.6283 56.6459 30.0510 182.2809 25 K 3.8968 9.9139 124.2976 57.1529 29.8524 174.9369 26 E 5.3788 8.5337 121.0135 55.9213 28.2271 178.5865 27 L 5.1641 7.1813 121.4913 53.3298 43.8938 175.4839 28 E 4.7660 9.0208 119.3264 54.7490 33.2368 174.2692 29 I 4.8538 8.4330 123.3939 60.5287 37.8557 175.4535 30 I 4.5646 8.8191 119.1500 60.9185 39.7869 175.8729 31 S 4.8003 7.8570 117.3961 57.0974 67.3584 172.8557 32 E 5.2891 8.5752 121.1208 55.0148 33.7888 174.4980 33 I 4.8534 8.5727 115.1676 58.1920 41.7579 175.9009 34 K 4.7088 8.8205 125.5586 55.6484 30.0935 179.4035 35 N 4.6743 8.6621 126.4635 53.3844 39.0648 175.0685 36 G 4.5616 7.4690 108.0016 46.0765 0.0000 170.8908 37 L 5.3791 8.1196 120.2262 52.9417 45.8080 175.5436 38 I 4.7487 8.2754 121.0468 59.3961 41.0020 174.0068 39 C 5.0984 8.9254 126.0603 58.1752 31.8989 173.2219 40 F 4.8093 8.8868 123.4048 56.0048 39.2494 174.0541 41 L 4.7184 9.0118 126.9122 54.0210 43.1097 175.2588 42 G 4.6085 9.3401 115.7119 45.8818 0.0000 171.7003 43 I 5.1686 8.7920 126.7377 59.7721 39.3413 174.8736 44 H 3.9336 10.0234 130.8520 55.8458 30.4007 177.1886 45 K 3.9737 8.6353 127.5281 57.4096 31.6098 176.7601 46 N 4.8863 7.5804 114.1574 53.2264 38.8931 174.7136 47 D 4.6157 7.7537 119.0779 54.3612 41.7224 176.1182 48 T 4.7127 9.5168 114.3120 59.4263 71.0898 175.4209 49 W 4.8675 9.1793 132.9261 60.5136 30.2406 177.9782 50 E 3.9756 7.6802 117.6775 60.1934 29.1023 178.1869 51 D 4.4716 8.7533 118.4500 57.7216 40.7630 178.7365 52 A 3.7446 8.1328 120.7121 55.0817 18.0307 179.6874 53 L 3.5477 7.1528 117.0327 57.9619 41.8332 178.3650 54 Y 4.3348 7.6709 119.2532 61.8273 38.7308 177.7780 55 I 3.2221 7.8999 117.6478 64.9144 37.0181 177.5810 56 I 3.0466 7.4097 118.5554 64.7052 37.2080 178.0518 57 R 3.8685 8.1303 121.5502 60.5018 29.5586 178.8172 58 K 3.8847 8.5090 123.3481 59.9385 31.3719 180.2971 59 C 4.0787 8.0457 117.4303 63.0976 28.3440 176.5218 60 L 4.2732 7.7018 118.9751 57.9555 41.3306 179.2594 61 N 4.6080 8.1510 115.4618 55.0323 38.7097 175.9159 62 L 3.8593 8.4113 120.7091 55.4419 42.0051 177.0971 63 R 4.5878 8.6249 123.3743 55.4158 30.4109 176.0418 64 L 5.0414 9.3403 122.3077 55.2392 44.9046 177.5895 65 W 4.2365 8.5078 118.9880 55.7210 29.6492 174.9660 66 N 4.3242 8.5722 120.8890 53.0756 37.8693 174.3448 67 N 4.2765 8.5862 125.4781 53.6783 39.4593 172.8848 68 D 4.2736 8.6741 128.1477 57.0564 38.7199 173.0627 69 N 4.5594 8.3191 126.4292 51.8314 35.5861 173.2946 70 K 4.4985 8.4581 118.9985 53.4463 33.2666 178.8729 71 T 4.5232 8.2877 112.8305 60.4261 70.1871 173.9238 72 W 3.9490 7.9526 119.7367 57.9545 27.5120 176.4367 73 D 4.4718 8.5265 120.0590 57.1114 41.4114 176.9232 74 K 4.7338 7.9058 119.7305 53.0905 33.9564 176.5954 75 N 5.6696 8.7768 115.7545 51.0763 41.5806 175.6130 76 V 3.4025 8.6676 121.0148 66.7843 31.5371 178.3634 77 K 3.4289 8.1021 122.9767 59.7807 31.2919 180.2150 78 D 4.5070 8.1130 118.6467 57.1871 40.8840 178.6792 79 L 3.8264 6.9910 114.9143 53.3363 42.0478 175.9043 80 N 4.4171 7.6132 115.5803 54.5516 37.6804 173.0481 81 Y 5.1179 7.8446 112.8746 56.3602 40.6455 176.0683 82 E 4.7294 8.7004 121.7229 55.3785 32.4369 174.8695 83 L 5.3142 8.1588 119.3361 53.0108 46.4215 175.7837 84 L 5.0405 8.3799 122.1021 53.4253 45.2376 175.0870 85 I 4.8258 8.0980 127.0117 59.4287 40.0716 175.4686 86 V 4.3579 8.3919 126.8592 61.0264 34.7447 173.7925 87 S 4.5557 8.8434 123.4657 59.5119 62.7243 173.9922 88 Q 4.6270 9.6134 129.0262 53.7756 28.0337 176.5039 89 F 4.6417 8.3671 118.6600 58.9522 38.7615 178.3199 90 T 4.3167 7.3168 111.5029 63.8164 69.0363 176.3314 91 L 3.8617 8.0626 121.6640 57.4940 41.8832 177.3192 92 F 4.8227 8.0942 116.1438 57.1745 39.3103 175.6574 93 G 3.2155 8.1778 111.1203 45.2576 0.0000 173.4060 94 N 4.6967 8.7386 124.2428 52.3954 39.9700 175.3604 95 T 4.2559 8.2200 114.5654 62.6203 70.7161 176.6169 96 K 3.7652 8.3699 123.0639 59.8945 31.5834 177.6918 97 K 3.5159 7.3813 115.6625 57.1598 32.1828 182.3000 98 G 4.0623 7.4391 107.4315 46.2388 0.0000 174.0828 99 N 4.6612 9.1656 122.9847 54.3713 38.6210 175.4301 100 K 4.6694 7.5953 119.8844 51.9101 35.2132 178.5150 101 P 5.1386 0.0000 0.0000 60.5182 33.0465 175.3761 102 D 4.8902 7.9130 118.7826 51.5795 42.9445 175.2268 103 F 5.7133 8.1837 118.0621 56.4590 40.0930 176.9790 104 H 4.3597 8.4034 119.1776 58.0663 28.7264 175.9733 105 L 4.5211 7.8851 117.2798 54.0392 42.7502 175.0293 106 A 4.3987 8.0943 124.4288 50.7700 19.7214 178.2398 107 K 3.8429 8.6095 128.5482 56.1983 32.4538 174.3583 108 E 4.0610 8.9327 121.6602 55.6436 30.7504 174.5392 109 P 4.4889 0.0000 0.0000 65.7442 30.7581 178.7335 110 N 4.3482 8.2741 114.4004 55.8179 37.9289 176.6414 111 E 4.3813 7.9953 118.4554 57.9130 30.5419 178.1157 112 A 4.1730 8.8277 122.0339 55.0049 18.3512 179.0487 113 L 2.4701 7.5865 118.4397 58.1511 41.8439 179.5083 114 I 3.7362 7.1657 116.0108 64.4558 37.0644 177.6704 115 F 4.3816 8.0242 120.3537 61.8476 39.1348 176.1316 116 Y 4.2646 8.4447 118.6925 61.3116 38.0963 178.1405 117 N 4.4646 8.2631 117.0595 56.4184 38.6512 177.4849 118 K 4.0257 8.2524 119.6094 59.6490 32.1187 179.2428 119 I 3.6082 8.1057 120.3387 64.6702 37.0360 178.4308 120 I 3.7653 8.0983 120.8010 64.6900 36.8597 178.2268 121 D 4.5069 7.9719 118.8191 56.7029 40.4067 177.2642 122 E 4.5685 7.8929 117.7300 56.3529 29.9831 176.8859 123 F 4.5295 7.7184 117.4951 59.4293 40.1117 178.1428 124 K 4.2904 8.0734 119.3705 58.9083 31.6369 179.3145 125 K 4.0639 8.6140 119.0935 58.7737 32.1387 177.7691 126 Q 4.5935 7.7115 115.3378 54.8748 29.4010 174.8229 127 Y 4.7169 8.3819 119.2031 57.0550 39.8758 175.3119 128 N 4.5653 8.4343 113.6913 52.3152 40.1426 175.8832 129 D 4.4827 8.6905 117.7865 55.6390 39.8468 177.2394 130 D 4.3674 8.1310 119.2002 56.4874 41.3561 176.4349 131 K 4.4410 7.9621 117.5653 55.8429 33.3074 175.8305 132 I 4.5405 7.6839 122.3976 60.0279 40.2358 175.6071 133 K 4.7890 9.1923 129.6631 53.5941 36.0931 172.3102 134 I 4.7632 7.8583 110.4705 61.4861 39.7053 173.4507 135 G 4.0360 7.9102 111.2039 45.2623 0.0000 173.0877 136 K 4.0619 8.5657 120.5873 54.2049 31.0293 173.6258 137 F 3.6060 8.3397 125.4933 60.1070 39.6065 175.2200 138 G 4.0600 8.1435 110.4735 45.4195 0.0000 172.8862 139 N 4.8651 7.5101 116.0148 51.0273 40.3033 174.9341 140 Y 4.0093 8.5687 122.2115 58.3358 39.1425 175.2204 141 M 4.5105 7.5597 125.6438 53.4143 35.9326 174.6637 142 N 4.6067 8.5002 117.3184 52.5929 42.2452 173.2518 143 I 4.8742 8.2551 127.3687 59.3594 39.9497 175.2074 144 D 4.5286 8.7877 128.8112 54.1503 41.6735 175.8303 145 V 4.6527 8.3716 123.6909 61.4575 34.1941 175.5799 146 T 4.3739 9.3152 125.9293 62.0785 68.4753 172.8861 147 N 4.7334 8.5355 123.4182 53.5228 39.2927 174.6405 148 D 4.3043 10.1072 125.8751 55.2422 40.3022 174.2051 149 G 3.6279 8.7154 118.2508 44.6620 0.0000 170.8891 150 P 4.3471 0.0000 0.0000 61.4286 32.6683 175.7894 151 V 4.2417 7.9990 116.7673 61.9228 34.1580 173.9207 152 T 5.0233 8.5437 125.2801 61.7080 70.1928 173.5574 153 I 4.1634 8.4766 127.6233 60.7754 38.9909 174.4784 154 Y 5.0936 8.5068 126.1320 55.9947 41.3032 174.3536 155 I 4.2005 7.6932 126.7696 59.2630 40.3133 174.0033 156 D 5.1478 8.1947 126.8959 52.5016 42.6924 176.0420 157 T 4.2679 8.8396 117.1442 64.9239 69.2566 176.3816 158 H 4.4465 8.8624 118.0975 57.2257 28.1859 175.7094 159 D 4.6171 7.8867 124.4898 53.3372 39.8204 180.0687 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 M 8.16 5.16 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.07 4.99 0.00 1.46 1.76 0.00 2.21 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 1.47 1.55 0.00 3 V 8.66 5.27 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 1.08 0.00 0.00 1.05 0.00 0.00 4 V 8.50 4.47 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.08 0.00 0.00 5 I 8.42 4.69 1.89 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 1.24 0.55 0.92 0.00 0.00 6 Q 8.82 5.02 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 7 R 8.89 4.22 0.00 1.58 1.74 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 8 V 8.96 5.09 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 0.74 0.00 0.00 0.98 0.00 0.00 9 K 8.60 4.37 0.00 1.66 1.85 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.40 7.81 10 G 7.20 4.87 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 11 A 8.04 5.39 1.20 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 0.00 0.00 0.00 12 I 8.90 4.74 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 1.10 0.97 0.90 0.00 0.00 13 L 8.86 4.99 0.00 1.67 1.50 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.17 5.05 0.00 3.87 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 15 V 8.44 4.77 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 0.71 0.00 0.00 0.96 0.00 0.00 16 R 8.66 4.65 0.00 1.77 1.90 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 17 K 8.32 4.46 0.00 1.48 1.63 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.26 7.81 18 E 8.72 4.37 0.00 1.93 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 2.10 1.82 0.00 *23 N 8.59 4.88 0.00 2.76 2.81 0.00 0.00 6.79 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 24 E 8.09 4.58 0.00 1.98 1.46 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 2.24 1.90 0.00 25 K 9.91 3.90 0.00 1.77 1.46 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.99 7.81 26 E 8.53 5.38 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.63 0.00 27 L 7.18 5.16 0.00 1.55 1.65 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.02 4.77 0.00 1.98 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 0.00 2.19 2.28 0.00 29 I 8.43 4.85 1.87 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 1.40 0.58 0.97 0.00 0.00 30 I 8.82 4.56 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 1.34 0.67 0.95 0.00 0.00 31 S 7.86 4.80 0.00 3.70 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 32 E 8.58 5.29 0.00 1.77 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 2.19 2.29 0.00 33 I 8.57 4.85 1.83 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 1.23 0.70 0.85 0.00 0.00 34 K 8.82 4.71 0.00 1.71 0.95 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 35 N 8.66 4.67 0.00 1.44 1.55 0.00 0.00 6.65 7.92 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 36 G 7.47 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.12 5.38 0.00 1.67 1.57 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.28 4.75 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 1.17 1.02 0.00 0.00 39 C 8.93 5.10 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 40 F 8.89 4.81 0.00 3.04 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 41 L 9.01 4.72 0.00 1.88 1.81 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.34 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 0.00 0.00 0.00 0.00 43 I 8.79 5.17 2.18 0.00 0.00 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 1.68 1.05 1.16 0.00 0.00 44 H 10.02 3.93 0.00 2.88 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.64 3.97 0.00 1.82 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 7.58 4.89 0.00 2.54 2.77 0.00 0.00 6.94 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 47 D 7.75 4.62 0.00 2.72 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 48 T 9.52 4.71 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 1.24 0.00 0.00 49 W 9.18 4.87 0.00 3.65 3.25 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 50 E 7.68 3.98 0.00 1.90 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 2.45 2.55 0.00 51 D 8.75 4.47 0.00 2.89 2.85 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 0.00 0.00 0.00 52 A 8.13 3.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.15 3.55 0.00 1.85 1.61 0.56 0.77 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 54 Y 7.67 4.33 0.00 2.85 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 55 I 7.90 3.22 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.03 0.94 0.00 0.00 56 I 7.41 3.05 1.47 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.94 -0.11 0.00 0.00 57 R 8.13 3.87 0.00 1.92 2.12 0.00 3.11 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 58 K 8.51 3.88 0.00 1.75 1.78 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.36 7.81 59 C 8.05 4.08 0.00 3.35 3.20 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 0.00 60 L 7.70 4.27 0.00 1.76 1.78 1.07 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.15 4.61 0.00 3.02 2.89 0.00 0.00 7.07 7.78 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 62 L 8.41 3.86 0.00 1.57 1.70 0.86 0.89 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 63 R 8.62 4.59 0.00 1.91 2.06 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 64 L 9.34 5.04 0.00 1.39 1.56 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.51 4.24 0.00 3.42 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 66 N 8.57 4.32 0.00 2.58 2.69 0.00 0.00 7.05 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.59 4.28 0.00 2.94 2.80 0.00 0.00 6.94 8.37 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 68 D 8.67 4.27 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 69 N 8.32 4.56 0.00 2.80 2.99 0.00 0.00 6.78 7.44 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 70 K 8.46 4.50 0.00 1.69 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.24 7.81 71 T 8.29 4.52 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 1.20 0.00 0.00 72 W 7.95 3.95 0.00 3.42 3.26 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 73 D 8.53 4.47 0.00 2.67 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 74 K 7.91 4.73 0.00 1.75 1.66 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.23 7.81 75 N 8.78 5.67 0.00 3.26 3.04 0.00 0.00 6.97 7.19 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 76 V 8.67 3.40 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 1.29 0.00 0.00 1.28 0.00 0.00 77 K 8.10 3.43 0.00 1.82 1.80 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.36 7.81 78 D 8.11 4.51 0.00 2.75 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 79 L 6.99 3.83 0.00 0.63 0.13 0.36 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.61 4.42 0.00 2.80 2.89 0.00 0.00 7.04 7.28 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 81 Y 7.84 5.12 0.00 2.60 2.58 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 0.00 82 E 8.70 4.73 0.00 1.90 1.80 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 2.20 2.26 0.00 83 L 8.16 5.31 0.00 1.37 1.28 1.08 0.36 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 84 L 8.38 5.04 0.00 1.65 1.30 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.10 4.83 1.67 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.75 0.00 0.00 86 V 8.39 4.36 1.89 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 0.85 0.00 0.00 0.69 0.00 0.00 87 S 8.84 4.56 0.00 3.63 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 88 Q 9.61 4.63 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.92 0.00 89 F 8.37 4.64 0.00 3.24 3.33 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 0.00 0.00 0.00 0.00 90 T 7.32 4.32 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 0.44 0.00 0.00 91 L 8.06 3.86 0.00 1.37 1.47 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.09 4.82 0.00 3.35 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 93 G 8.18 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 0.00 0.00 0.00 94 N 8.74 4.70 0.00 2.74 2.59 0.00 0.00 6.43 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 95 T 8.22 4.26 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 1.14 0.00 0.00 96 K 8.37 3.77 0.00 1.93 1.95 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.47 7.81 97 K 7.38 3.52 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.05 7.81 98 G 7.44 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 99 N 9.17 4.66 0.00 2.72 2.86 0.00 0.00 6.38 7.61 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 0.00 100 K 7.60 4.67 0.00 1.73 1.52 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 101 P 0.00 5.14 0.00 1.69 1.93 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 102 D 7.91 4.89 0.00 2.59 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 0.00 103 F 8.18 5.71 0.00 3.05 3.18 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 0.00 104 H 8.40 4.36 0.00 3.16 3.37 0.00 5.67 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 0.00 105 L 7.89 4.52 0.00 1.64 1.35 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.09 4.40 1.45 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 0.00 0.00 107 K 8.61 3.84 0.00 1.54 1.66 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.31 7.81 108 E 8.93 4.06 0.00 1.65 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 2.31 1.92 0.00 109 P 0.00 4.49 0.00 2.15 2.19 0.00 3.52 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 2.03 2.06 0.00 110 N 8.27 4.35 0.00 2.75 2.85 0.00 0.00 6.95 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 0.00 111 E 8.00 4.38 0.00 2.11 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 2.32 2.34 0.00 112 A 8.83 4.17 1.62 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 0.00 113 L 7.59 2.47 0.00 0.64 1.62 0.56 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.17 3.74 2.08 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 1.40 0.53 0.97 0.00 0.00 115 F 8.02 4.38 0.00 3.19 3.39 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 0.00 116 Y 8.44 4.26 0.00 3.34 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 0.00 117 N 8.26 4.46 0.00 3.11 2.94 0.00 0.00 7.12 7.31 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 0.00 118 K 8.25 4.03 0.00 2.20 2.01 0.00 1.83 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 119 I 8.11 3.61 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.91 0.89 0.00 0.00 120 I 8.10 3.77 1.94 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.88 0.00 0.00 121 D 7.97 4.51 0.00 2.97 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 0.00 122 E 7.89 4.57 0.00 2.26 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 2.48 2.31 0.00 123 F 7.72 4.53 0.00 3.19 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 0.00 124 K 8.07 4.29 0.00 2.00 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 125 K 8.61 4.06 0.00 1.99 2.11 0.00 1.81 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 7.71 4.59 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 127 Y 8.38 4.72 0.00 2.99 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 0.00 128 N 8.43 4.57 0.00 2.95 2.96 0.00 0.00 5.70 8.07 0.00 0.00 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 8.69 4.48 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 0.00 130 D 8.13 4.37 0.00 2.59 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 0.00 131 K 7.96 4.44 0.00 0.79 1.18 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 1.13 7.81 132 I 7.68 4.54 1.78 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 1.06 0.89 0.71 0.00 0.00 133 K 9.19 4.79 0.00 1.35 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.21 7.81 134 I 7.86 4.76 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.98 0.00 0.00 135 G 7.91 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 0.00 0.00 0.00 136 K 8.57 4.06 0.00 1.70 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.00 7.81 137 F 8.34 3.61 0.00 2.81 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 0.00 138 G 8.14 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.51 4.87 0.00 2.95 2.79 0.00 0.00 6.77 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.57 4.01 0.00 2.92 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 0.00 141 M 7.56 4.51 0.00 1.71 1.73 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 142 N 8.50 4.61 0.00 2.83 2.81 0.00 0.00 7.42 6.98 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 0.00 143 I 8.26 4.87 1.91 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 1.29 0.73 0.89 0.00 0.00 144 D 8.79 4.53 0.00 2.63 2.61 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 0.00 145 V 8.37 4.65 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 0.92 0.00 0.00 1.06 0.00 0.00 146 T 9.32 4.37 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 1.21 0.00 0.00 147 N 8.54 4.73 0.00 2.61 2.77 0.00 0.00 7.06 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 0.00 148 D 10.11 4.30 0.00 2.65 2.58 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 0.00 149 G 8.72 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.35 0.00 2.19 2.09 0.00 3.71 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 1.98 1.94 0.00 151 V 8.00 4.24 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 1.17 0.00 0.00 0.92 0.00 0.00 152 T 8.54 5.02 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 1.28 0.00 0.00 153 I 8.48 4.16 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.39 0.86 0.00 0.00 154 Y 8.51 5.09 0.00 2.86 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 0.00 155 I 7.69 4.20 1.62 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.62 0.00 0.00 156 D 8.19 5.15 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.84 4.27 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 1.47 0.00 0.00 158 H 8.86 4.45 0.00 3.44 3.47 0.00 5.66 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.89 4.62 0.00 2.71 2.42 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 * Residues marked with a * may have inaccurate shift predictions.