NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4974 8.4293 116.7622 56.4023 30.3956 174.6800 3 R 4.5653 8.8184 119.0089 55.8212 35.1392 176.2484 4 Y 4.2033 7.9964 120.8072 60.5920 40.7303 179.1915 5 R 3.7733 8.2353 118.4985 59.1232 30.3628 177.2330 6 R 3.9776 9.0650 118.2893 58.5750 30.3745 176.6670 7 G 4.3560 7.9379 106.6569 43.8991 0.0000 174.7224 *9 E 4.1608 8.1029 117.5521 56.0121 31.4779 177.4177 10 I 3.7389 7.0235 120.4972 63.1183 36.8227 177.3609 11 L 3.4158 7.4569 122.7039 58.6221 42.1980 179.1087 12 N 4.3278 7.7757 113.9883 55.4316 39.0021 175.5840 13 R 4.1725 7.9355 117.6968 57.2818 31.9296 175.6676 *15 N 4.4541 7.9652 120.0438 53.6635 40.2261 175.9222 16 R 3.9048 7.9516 123.5517 61.8729 29.8955 179.7917 17 K 4.2383 8.0111 120.0013 59.1739 32.0428 179.0525 18 S 4.0620 7.9002 114.5552 61.7097 62.8712 175.5218 19 Y 4.0343 7.8525 121.8629 61.0801 38.1252 178.5039 20 T 3.7491 8.1025 110.0858 65.0751 68.2584 175.8805 21 A 4.3318 7.8514 125.7326 53.9273 18.4030 179.4012 22 I 3.8728 7.5548 117.4108 63.5045 37.4310 178.1858 23 R 3.8708 7.6372 118.7856 58.0281 29.8178 176.6006 24 D 5.1716 7.5656 118.3337 54.4247 41.9627 176.8754 25 E 4.7580 7.7616 113.9212 55.7829 30.5134 176.7873 26 L 4.0407 7.8574 123.3553 57.8359 41.7005 176.7874 27 E 4.5283 7.5143 112.5918 57.9845 33.1234 182.6276 28 D 4.7061 8.0627 121.3647 57.0309 40.9112 180.2699 29 V 3.9899 7.2338 118.0745 59.7734 35.8447 177.8580 30 A 4.0861 8.7093 124.3262 53.5233 18.0174 176.0359 31 P 4.2010 0.0000 0.0000 66.7906 31.4240 178.1805 32 D 4.0712 8.1370 117.0040 57.1551 40.4477 179.0591 33 L 4.1077 9.4124 120.4965 58.1001 41.8358 178.7782 34 A 4.1268 7.9149 119.9549 54.7874 18.2536 179.3246 35 R 4.0213 8.2065 118.1873 59.8198 30.1283 178.5906 36 F 4.8395 7.6194 117.2002 61.2437 38.8745 177.1522 37 V 3.8953 7.9967 118.1323 65.7954 31.3619 177.6759 38 A 4.0022 8.3740 119.3368 54.8448 18.2384 178.3615 39 E 4.5360 8.7688 115.4325 57.0694 30.3280 176.1719 40 F 4.8438 8.3372 117.3041 60.6139 44.2855 176.0784 41 A 3.8379 8.5849 123.4776 55.2924 18.5531 178.8534 42 Y 4.1367 7.9700 111.9422 59.2525 38.8830 178.6184 43 G 3.7358 7.7828 107.6362 48.1183 0.0000 174.3560 44 D 4.7955 7.7272 116.0291 53.3915 42.8662 177.2451 45 V 3.8570 7.5354 118.4598 65.1366 32.2229 177.5302 46 Y 3.8983 7.8079 116.1996 60.7356 37.8641 177.7002 47 S 4.2543 8.2169 113.5090 61.0037 63.2056 174.9012 48 R 3.8888 7.2053 118.1651 56.2556 30.3922 176.5597 49 G 3.9779 8.1388 107.5961 44.4049 0.0000 172.0069 50 V 4.4400 7.8840 122.7416 62.5540 37.1738 173.6471 51 L 4.7129 7.6989 121.0991 52.7123 45.1498 177.2550 52 D 4.5757 8.4317 124.7300 55.0003 41.8575 174.9283 53 L 4.1988 8.4244 121.6406 58.6335 41.6145 179.5541 54 K 3.9720 8.0435 117.9296 59.9879 31.6532 179.2960 55 T 3.9594 7.8160 115.0212 66.1866 68.3072 176.5750 56 R 3.9310 7.6833 119.7508 58.5362 30.3451 178.2547 57 E 4.3012 8.4649 117.4758 58.1346 29.4092 178.3987 58 L 4.1875 7.5870 119.7039 57.0646 42.4051 178.0941 59 L 4.1949 7.4972 117.9803 56.9962 41.6301 179.1319 60 T 3.8649 7.8724 113.7204 64.8316 67.3138 176.2472 61 L 3.9643 7.5017 120.1783 57.7801 41.5556 179.1531 62 A 3.9378 7.5936 118.8357 55.3172 18.3259 179.4370 63 A 3.9307 7.4885 118.3866 55.4871 18.6403 179.9104 64 L 4.0741 8.0258 116.9110 57.6533 41.6891 180.0297 65 T 3.8987 7.7786 116.4085 66.5183 68.2290 176.9076 66 V 3.6235 7.3137 118.7468 65.9912 31.7160 177.5663 67 L 4.1911 7.8128 115.8261 54.7933 41.6332 177.1686 68 R 3.8203 7.5540 116.0128 57.0843 28.6593 178.0773 69 A 4.3476 7.6398 120.6742 50.7165 15.9359 177.6849 70 D 4.3430 8.2936 123.2637 57.6940 41.3789 178.0477 71 D 4.3407 8.0926 118.0028 57.8772 40.9598 179.0242 72 Q 4.1720 8.1203 117.4001 58.2814 28.4389 178.7499 73 L 3.9649 7.4742 120.9175 58.0943 42.6074 178.2645 74 K 3.9907 7.9483 118.3587 59.7113 32.0276 178.8380 75 S 4.0565 8.0097 112.8876 62.0498 62.3326 175.7922 76 H 4.4582 8.1407 117.0206 57.4380 28.3694 177.7084 77 V 3.7577 7.7611 121.3139 65.6514 31.3262 178.1179 78 R 4.0520 7.9387 117.6800 59.2837 30.0375 178.6672 79 G 3.8699 8.3272 105.2133 48.1031 0.0000 175.4248 80 A 4.0603 8.1787 122.6712 55.0559 18.4785 179.5168 81 L 4.4144 8.1071 119.1076 57.5830 41.4655 179.6090 82 N 4.3480 8.7118 115.3870 56.2207 38.6223 176.7921 83 A 4.2692 7.6374 119.7812 52.7008 18.7341 176.9714 84 G 3.5807 7.5246 105.3722 45.3420 0.0000 174.6483 85 C 4.4723 8.1082 119.9748 59.9591 28.8434 173.7036 86 S 4.7769 9.6028 120.2905 57.0462 65.7761 175.0355 87 K 3.7019 8.4544 120.4205 59.9754 31.4386 179.0685 88 D 4.4587 7.9454 118.4744 57.7079 41.1716 179.2729 89 E 4.1236 7.7679 118.2402 59.4524 29.8160 179.0143 90 I 3.7682 7.6680 119.6287 64.8297 37.1187 178.4822 91 I 4.0227 7.8113 117.9472 63.4804 37.1866 177.9201 92 E 4.2394 8.2524 120.3918 59.0358 29.1286 179.7374 93 V 3.9045 7.0556 108.4569 61.8775 31.6041 177.3702 *95 I 4.1027 7.6973 121.3016 61.5276 38.9644 178.1279 96 Q 4.1064 7.8774 122.9378 55.5136 27.3420 177.4125 *98 A 4.0873 7.9568 121.6295 52.0318 20.8163 179.8462 99 V 3.3846 7.2560 114.6092 65.7962 31.6324 176.5556 100 Y 4.4339 7.6529 114.8449 58.9292 38.6057 176.0374 101 A 4.5450 8.2607 119.0822 51.3899 20.3600 177.0666 102 G 4.1147 7.8470 102.6558 45.8012 0.0000 175.0061 103 F 3.8413 9.1427 120.1915 60.0804 39.0860 176.2390 104 P 4.3304 0.0000 0.0000 65.4489 30.8724 178.3131 105 A 4.0982 8.0117 119.0760 54.7452 18.5447 179.4753 106 A 3.9553 7.8096 118.7393 54.8936 18.5749 179.9306 107 I 3.6483 7.8306 118.6309 64.6744 37.4952 177.7387 108 N 4.2148 7.9854 117.1627 57.0102 38.6902 176.5927 109 A 4.0846 7.8478 121.7527 54.7706 18.5517 179.6798 110 V 3.4394 7.5118 116.8209 66.2221 31.7344 178.1919 111 L 3.9428 7.7987 118.0706 57.8620 41.3077 179.4570 112 A 4.0066 7.5701 119.1444 54.5206 18.1252 179.6375 113 A 3.5687 7.5593 119.6845 54.9482 18.3081 179.5587 114 K 3.5887 7.8398 117.3127 59.6161 32.5356 178.6372 115 E 4.0766 7.9589 118.6800 59.3121 29.2825 179.2933 116 V 3.7806 7.1629 118.0447 64.9032 31.7867 179.1600 117 F 5.1377 8.2292 119.7139 55.4104 37.8414 177.1716 118 T 4.6774 7.3915 113.8643 64.4084 70.5364 172.7498 119 E 4.5165 8.4441 124.9781 56.9408 31.5848 176.8754 120 N 5.1552 7.6266 115.1481 53.0474 40.4088 175.9585 121 D 4.4742 8.4802 120.9891 56.3807 41.3286 175.0215 122 P 4.4657 0.0000 0.0000 62.7726 31.6358 175.3062 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 E 8.43 4.50 0.00 2.01 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 2.13 1.88 0.00 3 R 8.82 4.57 0.00 2.07 2.20 0.00 3.04 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 4 Y 8.00 4.20 0.00 3.06 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 5 R 8.24 3.77 0.00 1.91 1.99 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 6 R 9.06 3.98 0.00 1.83 2.22 0.00 3.30 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 7 G 7.94 4.36 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 0.00 *9 E 8.10 4.16 0.00 2.06 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 2.15 2.36 0.00 10 I 7.02 3.74 2.01 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 1.51 0.83 1.03 0.00 0.00 11 L 7.46 3.42 0.00 1.16 1.24 -0.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.78 4.33 0.00 2.60 2.74 0.00 0.00 6.93 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 13 R 7.94 4.17 0.00 2.03 1.93 0.00 3.24 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 *15 N 7.97 4.45 0.00 2.75 2.70 0.00 0.00 7.30 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 16 R 7.95 3.90 0.00 1.85 1.93 0.00 3.35 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 17 K 8.01 4.24 0.00 1.78 1.93 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.44 7.81 18 S 7.90 4.06 0.00 4.06 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 19 Y 7.85 4.03 0.00 2.95 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 20 T 8.10 3.75 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 1.24 0.00 0.00 21 A 7.85 4.33 1.39 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 0.00 0.00 22 I 7.55 3.87 1.70 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 1.47 0.99 0.83 0.00 0.00 23 R 7.64 3.87 0.00 1.86 1.87 0.00 3.52 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.00 24 D 7.57 5.17 0.00 2.87 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 25 E 7.76 4.76 0.00 2.10 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 2.36 2.17 0.00 26 L 7.86 4.04 0.00 1.86 1.64 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.51 4.53 0.00 1.98 1.70 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 2.10 1.82 0.00 28 D 8.06 4.71 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 29 V 7.23 3.99 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 0.78 0.00 0.00 0.93 0.00 0.00 30 A 8.71 4.09 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 31 P 0.00 4.20 0.00 2.11 2.11 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 32 D 8.14 4.07 0.00 2.58 2.51 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 33 L 9.41 4.11 0.00 1.87 1.85 1.10 1.06 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 A 7.91 4.13 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 35 R 8.21 4.02 0.00 1.72 1.68 0.00 3.05 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 36 F 7.62 4.84 0.00 3.37 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 37 V 8.00 3.90 2.52 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 1.26 0.00 0.00 1.10 0.00 0.00 38 A 8.37 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.77 4.54 0.00 2.35 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 0.00 2.50 2.52 0.00 40 F 8.34 4.84 0.00 3.12 3.31 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 41 A 8.58 3.84 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 42 Y 7.97 4.14 0.00 2.98 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 43 G 7.78 3.74 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 0.00 0.00 0.00 44 D 7.73 4.80 0.00 2.46 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 0.00 0.00 0.00 0.00 45 V 7.54 3.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.52 0.00 0.00 46 Y 7.81 3.90 0.00 2.79 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 47 S 8.22 4.25 0.00 3.99 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 48 R 7.21 3.89 0.00 2.05 1.89 0.00 3.15 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 49 G 8.14 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 50 V 7.88 4.44 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 0.72 0.00 0.00 0.90 0.00 0.00 51 L 7.70 4.71 0.00 1.51 1.42 0.82 0.94 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 52 D 8.43 4.58 0.00 2.68 2.55 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 53 L 8.42 4.20 0.00 1.80 1.74 1.19 0.69 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 54 K 8.04 3.97 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.55 7.81 55 T 7.82 3.96 4.36 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 1.16 0.00 0.00 56 R 7.68 3.93 0.00 1.81 1.32 0.00 2.69 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.00 57 E 8.46 4.30 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 2.54 2.77 0.00 58 L 7.59 4.19 0.00 2.01 1.64 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.50 4.19 0.00 1.80 1.62 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.87 3.86 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 1.30 0.00 0.00 61 L 7.50 3.96 0.00 2.04 1.73 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.59 3.94 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 63 A 7.49 3.93 1.35 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 64 L 8.03 4.07 0.00 1.88 1.75 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.78 3.90 4.45 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 1.25 0.00 0.00 66 V 7.31 3.62 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 0.84 0.00 0.00 1.00 0.00 0.00 67 L 7.81 4.19 0.00 1.69 1.71 0.96 1.00 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 68 R 7.55 3.82 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 69 A 7.64 4.35 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 70 D 8.29 4.34 0.00 2.73 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 71 D 8.09 4.34 0.00 2.70 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 72 Q 8.12 4.17 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 73 L 7.47 3.96 0.00 1.84 1.86 0.93 0.44 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 74 K 7.95 3.99 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.65 7.81 75 S 8.01 4.06 0.00 3.91 4.05 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 76 H 8.14 4.46 0.00 3.24 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.76 3.76 2.30 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 1.31 0.00 0.00 0.98 0.00 0.00 78 R 7.94 4.05 0.00 2.01 1.98 0.00 3.23 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 79 G 8.33 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 80 A 8.18 4.06 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 81 L 8.11 4.41 0.00 1.90 1.74 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.71 4.35 0.00 2.87 2.90 0.00 0.00 7.04 7.89 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 83 A 7.64 4.27 1.33 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 0.00 0.00 84 G 7.52 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 0.00 0.00 0.00 0.00 85 C 8.11 4.47 0.00 3.11 2.90 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 86 S 9.60 4.78 0.00 3.95 3.97 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 87 K 8.45 3.70 0.00 1.71 1.83 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.24 7.81 88 D 7.95 4.46 0.00 2.62 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 89 E 7.77 4.12 0.00 2.33 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 2.35 0.00 90 I 7.67 3.77 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.94 1.04 0.00 0.00 91 I 7.81 4.02 1.96 0.00 0.00 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 1.58 0.66 0.95 0.00 0.00 92 E 8.25 4.24 0.00 2.24 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 2.65 2.50 0.00 93 V 7.06 3.90 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 0.80 0.00 0.00 1.00 0.00 0.00 *95 I 7.70 4.10 1.98 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 1.26 0.56 0.86 0.00 0.00 96 Q 7.88 4.11 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 *98 A 7.96 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.26 3.38 1.65 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 -0.20 0.00 0.00 0.71 0.00 0.00 100 Y 7.65 4.43 0.00 3.04 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 0.00 101 A 8.26 4.54 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 0.00 102 G 7.85 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 0.00 103 F 9.14 3.84 0.00 3.10 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 0.00 104 P 0.00 4.33 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 105 A 8.01 4.10 1.41 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 0.00 106 A 7.81 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.83 3.65 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 1.64 1.50 0.93 0.00 0.00 108 N 7.99 4.21 0.00 2.92 2.84 0.00 0.00 7.22 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 0.00 109 A 7.85 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 0.00 110 V 7.51 3.44 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 1.03 0.00 0.00 0.90 0.00 0.00 111 L 7.80 3.94 0.00 1.74 1.68 0.92 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 0.00 112 A 7.57 4.01 1.33 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 0.00 0.00 113 A 7.56 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.84 3.59 0.00 1.62 1.97 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 115 E 7.96 4.08 0.00 2.17 1.95 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 2.30 2.44 0.00 116 V 7.16 3.78 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 0.76 0.00 0.00 1.03 0.00 0.00 117 F 8.23 5.14 0.00 3.08 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 0.00 118 T 7.39 4.68 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 1.24 0.00 0.00 119 E 8.44 4.52 0.00 1.93 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 0.00 2.21 2.31 0.00 120 N 7.63 5.16 0.00 2.68 2.74 0.00 0.00 6.92 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 0.00 121 D 8.48 4.47 0.00 2.72 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 0.00 122 P 0.00 4.47 0.00 2.18 2.03 0.00 3.72 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 1.94 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.