NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3216 8.2549 119.7079 55.4348 31.6952 175.1702 3 K 3.7680 8.5866 121.7395 55.5811 32.9950 175.9319 4 K 3.8734 8.8145 124.0259 59.7353 33.0263 178.2028 5 E 4.0749 8.2267 114.5386 58.5030 29.4927 176.9423 6 D 4.8515 7.9969 117.2156 53.4805 41.8204 176.1276 7 K 4.1033 7.7572 122.0963 55.9784 32.6451 175.9608 8 Y 4.0436 8.6671 127.5851 57.7297 39.1621 174.7005 9 D 4.4216 7.8686 127.0879 53.5711 41.1372 175.9056 10 F 4.5313 8.5975 127.9330 58.5218 39.6724 176.9977 11 R 3.8644 8.1205 117.8142 60.0214 29.8629 178.4957 12 A 3.8193 7.6853 119.9132 55.1277 18.3492 179.3398 13 L 2.6293 7.0362 118.3385 57.5158 42.0654 179.0776 14 G 3.6986 7.4154 107.4506 47.0533 0.0000 175.4575 15 L 3.9082 7.6815 122.3530 57.7523 42.1365 178.8647 16 A 3.9319 7.8174 120.8538 55.0513 18.2461 179.5371 17 I 3.5538 7.7761 118.5669 64.4531 37.2173 178.5458 18 K 4.0290 7.9551 120.2190 59.6796 32.0781 178.6089 19 E 3.9457 8.4707 118.8820 59.3947 29.3188 179.3095 20 A 4.0723 8.0208 120.8335 54.9151 18.4510 179.5858 21 R 3.8225 8.1440 117.3908 59.5206 29.9060 178.9954 22 K 3.9881 7.9727 117.1966 59.2683 32.2948 179.0990 23 K 4.0896 8.3701 118.9686 58.0636 33.4186 177.0819 24 Q 4.4772 7.3552 118.3219 57.1691 27.8879 177.1940 25 G 4.0293 6.7290 104.1002 43.5047 0.0000 171.5450 26 L 4.8418 8.3407 127.0343 53.1707 45.6530 175.5496 27 T 4.0320 8.5649 120.6383 61.8317 68.3142 174.9849 28 R 3.9122 8.8354 127.1129 59.6305 30.1456 178.6544 29 E 3.9450 8.1239 118.1027 59.5146 29.3223 179.0327 30 Q 4.2456 7.8986 115.1911 57.4707 29.2629 177.9935 31 V 3.8094 7.7956 119.3744 65.8579 31.8430 177.5310 32 G 4.0463 8.2878 105.3171 47.5304 0.0000 176.0860 33 A 4.1678 7.5299 118.6404 52.5189 18.3885 178.3791 *35 I 4.0201 7.6911 121.5748 61.2314 39.1563 175.4104 36 E 3.7802 8.6473 118.8225 57.7062 26.9276 173.8694 37 I 4.7233 7.2550 109.6782 58.4676 41.2281 173.8539 38 D 4.4495 8.5663 120.8749 53.4700 41.8527 175.0762 39 P 4.3012 0.0000 0.0000 66.1199 31.3902 178.8221 40 R 3.9797 8.1964 116.2099 59.2934 30.0394 178.1817 41 Y 4.3429 7.9880 119.3569 60.8066 38.7979 177.9910 42 L 3.8036 7.8723 120.6910 58.2327 42.2106 178.7796 43 T 3.8523 7.9192 115.7321 66.9633 68.4796 176.3494 44 N 4.6035 8.1363 117.7283 55.9525 38.4777 177.6406 45 I 4.0094 7.6107 122.7608 64.0836 37.0172 178.3358 46 E 4.2429 8.4886 118.1883 58.6738 29.4061 178.1004 47 N 4.8128 8.6621 115.0762 53.6363 39.4863 176.3391 48 K 4.5615 7.9916 117.2909 55.1307 32.7062 177.3178 49 G 4.1307 8.1505 106.6283 46.0801 0.0000 173.6257 50 Q 4.0380 7.4392 122.0220 55.7265 29.4887 175.3610 51 H 3.7589 8.6341 123.1486 54.8276 29.1846 173.7458 52 P 4.4777 0.0000 0.0000 61.7025 32.3462 176.3230 53 S 4.4102 8.3674 114.2726 57.9052 64.8308 175.1530 54 L 3.9732 8.3946 123.0723 58.2884 41.8321 178.2727 55 Q 4.0225 8.2317 119.0472 59.5896 28.7973 178.7915 56 V 3.6384 7.6953 118.4794 65.7671 31.5020 177.6467 57 L 3.9349 8.0603 120.0543 58.3275 42.0193 178.0076 58 Y 4.1573 8.5516 119.7437 61.1828 38.5473 178.0859 59 D 4.1544 8.7318 119.7261 57.2027 40.8160 178.9562 60 L 3.9345 8.1770 119.8208 57.8493 41.7047 179.7299 61 V 3.5746 7.8943 118.5804 65.7342 31.2288 178.2015 62 S 4.0603 7.6108 113.3598 60.9380 63.0192 175.9610 63 L 4.0085 7.3559 123.4360 57.3358 41.9998 178.0192 64 L 4.3296 7.8694 115.7877 53.1426 43.5162 175.5132 65 N 4.0710 7.9124 116.8959 54.6019 37.2064 173.5290 66 V 4.3557 7.2146 117.1142 60.8026 34.4262 174.4654 67 S 4.3187 8.4479 122.2791 57.8844 62.9562 174.5935 68 V 3.6139 8.4802 127.4354 66.1388 31.4425 177.2949 69 D 4.3797 8.0518 118.2168 57.8001 40.4085 178.4555 70 E 3.7965 7.8851 118.1584 58.6699 29.4731 177.9897 71 F 4.8930 8.1231 114.9515 57.5510 40.3704 176.8542 72 F 4.8589 8.2294 116.2157 57.5090 40.1017 175.7076 73 L 4.8544 7.7157 117.3271 51.6097 43.9941 174.5823 74 P 4.3406 0.0000 0.0000 62.7178 31.6852 176.8812 75 A 3.8977 9.1792 122.6859 56.6903 18.3210 180.7968 76 S 3.9902 7.3764 109.9756 61.5236 63.4166 174.8056 77 S 4.3754 7.5285 116.8034 58.0199 63.3407 176.0550 78 Q 4.3142 8.3230 123.1680 56.3694 25.8072 174.9318 79 V 3.7886 7.3899 123.4153 62.4891 32.8568 175.3652 80 K 4.0992 8.4499 128.5769 55.6039 32.2759 177.2352 81 S 4.4270 8.3410 121.8894 58.0729 65.1605 174.8916 82 T 3.8232 9.4004 119.8453 66.9625 68.2015 176.6845 83 K 3.8246 8.1280 119.5570 59.8541 32.1096 178.9405 84 R 3.8476 7.6408 118.1561 59.5748 29.9480 178.8342 85 R 3.9286 7.7756 117.4502 59.3326 30.1229 179.0742 86 Q 3.9866 8.1379 117.9478 58.6935 28.7199 178.3997 87 L 3.8822 8.0845 121.6027 58.0327 41.8670 178.6215 88 E 3.8404 7.9196 118.3478 59.4377 29.6722 178.3698 89 N 4.8623 8.0196 117.6779 55.3919 38.3184 177.6741 90 K 4.0536 7.8072 119.8782 58.7805 32.2008 178.3732 91 I 2.6645 6.8923 110.1471 60.5116 37.8845 176.3416 92 D 4.4442 7.4731 121.3850 57.2387 41.1080 177.3033 93 N 5.1858 7.9653 115.5658 53.0292 38.8526 174.7349 94 F 5.0259 7.9788 116.1573 55.5700 41.8916 176.9204 95 T 4.2288 8.7585 116.4908 61.3842 70.7314 175.2756 96 D 4.3918 8.6444 120.2345 57.3088 40.4609 178.7616 97 A 3.9567 7.9387 120.0912 55.3338 18.3636 178.5191 98 D 4.4251 7.8575 116.5182 57.9555 40.7522 179.7845 99 L 4.1805 7.8743 117.6269 57.5934 41.7631 179.3094 100 V 3.8172 8.0595 118.5735 65.8298 31.4576 178.5473 101 I 4.0570 7.3417 116.8090 61.7468 36.5128 177.4225 *103 E 4.2915 8.3193 123.9392 56.2379 31.2837 177.9218 104 S 4.2354 7.8074 113.8629 61.0638 62.9173 176.8681 105 V 3.6448 7.7942 122.5280 64.4207 31.0908 178.2922 106 A 3.9565 7.9229 120.9243 55.1572 18.3277 179.1375 107 D 4.3965 8.2896 117.5556 57.4389 40.8121 179.3114 108 G 3.6340 8.0976 106.2081 47.8722 0.0000 175.7621 109 I 3.7243 8.0776 122.6782 63.9769 36.8702 178.7429 110 V 3.5491 7.8431 118.1845 66.0862 31.7699 177.7980 111 K 4.4767 8.3499 119.9764 58.8815 31.6272 179.0712 112 S 4.0780 8.2054 112.8324 61.4770 62.4541 176.2414 113 K 4.1550 7.8658 118.5043 57.4598 32.0143 176.7960 114 E 4.3413 7.7777 120.0686 54.6963 31.3228 176.7210 115 V 3.6627 8.2245 118.2056 62.4474 33.0420 173.5225 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 R 8.25 4.32 0.00 1.84 1.96 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 3 K 8.59 3.77 0.00 1.90 1.76 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 K 8.81 3.87 0.00 1.78 1.85 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.48 7.81 5 E 8.23 4.07 0.00 2.12 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 0.00 2.28 2.34 0.00 6 D 8.00 4.85 0.00 2.66 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 7 K 7.76 4.10 0.00 1.76 1.87 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.42 7.81 8 Y 8.67 4.04 0.00 2.89 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 9 D 7.87 4.42 0.00 2.52 2.31 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 10 F 8.60 4.53 0.00 3.33 3.29 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 0.00 0.00 0.00 0.00 11 R 8.12 3.86 0.00 2.02 1.92 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 12 A 7.69 3.82 1.27 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 0.00 0.00 13 L 7.04 2.63 0.00 0.88 0.66 0.59 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.42 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 15 L 7.68 3.91 0.00 1.82 1.74 0.89 1.08 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 16 A 7.82 3.93 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 17 I 7.78 3.55 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.89 0.00 0.00 18 K 7.96 4.03 0.00 1.87 1.90 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.55 7.81 19 E 8.47 3.95 0.00 2.08 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 2.32 2.43 0.00 20 A 8.02 4.07 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 21 R 8.14 3.82 0.00 1.97 2.09 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 22 K 7.97 3.99 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.61 7.81 23 K 8.37 4.09 0.00 1.88 1.82 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 Q 7.36 4.48 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 25 G 6.73 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 0.00 0.00 0.00 0.00 26 L 8.34 4.84 0.00 1.84 1.48 0.92 1.23 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 27 T 8.56 4.03 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 1.23 0.00 0.00 28 R 8.84 3.91 0.00 1.91 1.92 0.00 3.25 0.00 0.00 3.49 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 29 E 8.12 3.95 0.00 2.06 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 2.34 2.51 0.00 30 Q 7.90 4.25 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 31 V 7.80 3.81 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 0.79 0.00 0.00 0.97 0.00 0.00 32 G 8.29 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 0.00 0.00 0.00 33 A 7.53 4.17 1.31 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 0.00 0.00 *35 I 7.69 4.02 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.93 0.00 0.00 36 E 8.65 3.78 0.00 2.12 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 0.00 2.24 2.43 0.00 37 I 7.25 4.72 2.20 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 1.34 1.03 1.06 0.00 0.00 38 D 8.57 4.45 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 39 P 0.00 4.30 0.00 2.21 2.12 0.00 3.68 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 2.25 2.22 0.00 40 R 8.20 3.98 0.00 2.13 2.03 0.00 3.15 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 41 Y 7.99 4.34 0.00 2.97 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 42 L 7.87 3.80 0.00 1.75 1.83 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.92 3.85 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 1.22 0.00 0.00 44 N 8.14 4.60 0.00 2.92 2.90 0.00 0.00 7.09 6.77 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 45 I 7.61 4.01 1.87 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 1.13 1.76 0.93 0.00 0.00 46 E 8.49 4.24 0.00 1.94 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 2.46 2.46 0.00 47 N 8.66 4.81 0.00 2.78 2.85 0.00 0.00 6.90 7.55 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 48 K 7.99 4.56 0.00 1.91 1.81 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.43 7.81 49 G 8.15 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 0.00 0.00 0.00 0.00 50 Q 7.44 4.04 0.00 2.41 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 51 H 8.63 3.76 0.00 3.10 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.48 0.00 2.08 1.76 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 53 S 8.37 4.41 0.00 4.13 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 0.00 54 L 8.39 3.97 0.00 1.77 1.74 0.96 0.58 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 55 Q 8.23 4.02 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 56 V 7.70 3.64 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 1.11 0.00 0.00 57 L 8.06 3.93 0.00 1.92 1.88 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.55 4.16 0.00 3.06 3.23 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 59 D 8.73 4.15 0.00 2.82 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 60 L 8.18 3.93 0.00 1.78 1.67 0.86 0.80 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 61 V 7.89 3.57 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 1.00 0.00 0.00 0.94 0.00 0.00 62 S 7.61 4.06 0.00 3.82 3.46 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 63 L 7.36 4.01 0.00 1.59 1.89 0.89 0.94 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 64 L 7.87 4.33 0.00 1.67 1.65 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.91 4.07 0.00 2.80 2.79 0.00 0.00 6.87 7.77 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 66 V 7.21 4.36 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 0.91 0.00 0.00 0.91 0.00 0.00 67 S 8.45 4.32 0.00 3.99 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 68 V 8.48 3.61 1.85 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 -0.01 0.00 0.00 0.77 0.00 0.00 69 D 8.05 4.38 0.00 2.67 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 70 E 7.89 3.80 0.00 1.66 1.72 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 1.47 1.78 0.00 71 F 8.12 4.89 0.00 3.10 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 72 F 8.23 4.86 0.00 2.86 3.06 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 73 L 7.72 4.85 0.00 1.75 1.59 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.34 0.00 2.22 2.21 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 75 A 9.18 3.90 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 76 S 7.38 3.99 0.00 3.90 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 77 S 7.53 4.38 0.00 3.81 3.78 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 78 Q 8.32 4.31 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 79 V 7.39 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 80 K 8.45 4.10 0.00 1.73 1.69 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 81 S 8.34 4.43 0.00 4.10 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 82 T 9.40 3.82 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 1.30 0.00 0.00 83 K 8.13 3.82 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.47 7.81 84 R 7.64 3.85 0.00 1.85 1.98 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 85 R 7.78 3.93 0.00 2.07 2.09 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 86 Q 8.14 3.99 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 87 L 8.08 3.88 0.00 1.71 1.76 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.92 3.84 0.00 2.21 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 2.28 2.30 0.00 89 N 8.02 4.86 0.00 2.87 2.81 0.00 0.00 6.62 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 90 K 7.81 4.05 0.00 1.72 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 91 I 6.89 2.66 1.34 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.45 0.35 0.00 0.00 92 D 7.47 4.44 0.00 2.96 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 93 N 7.97 5.19 0.00 2.80 2.87 0.00 0.00 6.72 7.45 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 94 F 7.98 5.03 0.00 3.05 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 95 T 8.76 4.23 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 1.20 0.00 0.00 96 D 8.64 4.39 0.00 2.80 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 97 A 7.94 3.96 1.27 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 0.00 0.00 98 D 7.86 4.43 0.00 3.01 2.41 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 99 L 7.87 4.18 0.00 1.88 1.79 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.06 3.82 2.27 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 1.04 0.00 0.00 1.01 0.00 0.00 101 I 7.34 4.06 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.93 0.00 0.00 *103 E 8.32 4.29 0.00 2.04 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 2.45 2.31 0.00 104 S 7.81 4.24 0.00 4.06 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 0.00 105 V 7.79 3.64 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 0.95 0.00 0.00 0.94 0.00 0.00 106 A 7.92 3.96 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 0.00 107 D 8.29 4.40 0.00 2.71 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 0.00 108 G 8.10 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 0.00 109 I 8.08 3.72 2.08 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 1.41 0.95 0.91 0.00 0.00 110 V 7.84 3.55 2.21 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 0.83 0.00 0.00 0.98 0.00 0.00 111 K 8.35 4.48 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 112 S 8.21 4.08 0.00 3.92 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 0.00 113 K 7.87 4.16 0.00 1.96 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 114 E 7.78 4.34 0.00 2.18 1.88 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 2.27 2.44 0.00 115 V 8.22 3.66 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 0.64 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.