NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4285 8.3231 115.4131 57.9990 65.5780 174.0735 7 G 3.8758 7.6050 108.7349 43.4813 0.0000 169.5210 8 P 5.1494 0.0000 0.0000 62.0073 33.5144 173.8841 9 S 4.6913 9.0792 118.5206 56.5450 64.8305 172.8338 10 Q 4.5846 9.2793 130.8377 55.5095 29.6270 174.2236 11 V 4.6413 8.9628 127.8106 60.9052 34.0007 174.0564 12 A 5.0430 8.7498 130.6698 50.6180 20.7414 175.4243 13 F 5.0881 9.1725 122.3632 56.5576 41.1617 175.2708 14 E 5.4118 9.3501 122.3672 54.9510 33.6740 174.5821 15 I 4.6457 8.3846 121.2751 60.1322 42.0588 173.3366 16 R 5.0664 9.6574 125.7948 53.6901 33.8615 175.1843 17 G 4.5731 8.2740 109.2890 46.6235 0.0000 171.7150 18 T 4.5850 8.2366 114.6527 61.0837 68.4508 173.7214 19 L 4.5151 7.8170 125.1906 52.8987 45.9802 176.1331 20 L 4.3160 8.6576 121.4757 53.0941 42.5237 174.9418 21 P 4.4070 0.0000 0.0000 64.5693 31.3107 177.5431 22 G 4.0704 9.0065 110.9508 45.5036 0.0000 173.0685 23 E 3.7181 7.8615 120.7170 56.0476 30.4185 175.9667 24 V 3.4132 8.0944 117.6282 59.2441 36.7726 174.2691 25 F 4.8476 6.6876 119.3017 56.3386 40.8931 175.1189 26 A 4.9141 8.8989 123.0043 50.1047 23.1124 174.5136 27 I 4.6171 8.5623 120.0343 59.2410 40.6889 174.0755 28 C 5.1502 8.9127 128.8042 58.1891 35.3925 173.2435 29 G 3.1790 8.0946 110.7725 45.0011 0.0000 173.4283 30 S 4.8285 7.9540 117.2995 58.3566 63.6796 173.6580 31 C 4.7587 7.5473 114.3337 57.3738 32.8157 174.0719 32 D 4.4175 8.8468 118.4929 57.5771 40.4248 179.3207 33 A 3.9625 8.0240 120.2928 54.4691 18.6426 177.8836 34 L 4.3419 7.8276 113.5501 54.4208 42.2322 177.7523 35 G 3.9946 7.7565 107.5744 44.7411 0.0000 173.7239 36 N 4.2408 8.8589 115.1263 54.1648 36.4901 174.9815 37 W 3.8047 8.0190 113.4678 57.2787 28.1409 174.4168 38 N 4.7914 8.1964 118.9325 51.9201 38.5184 174.0293 39 P 4.5025 0.0000 0.0000 65.6559 31.6737 178.8473 40 Q 4.0444 8.2912 116.4454 58.0834 28.6562 176.7465 41 N 4.8861 8.0910 113.4646 52.7075 38.9655 174.6823 42 A 4.3535 7.8072 120.5696 52.1543 19.6293 177.6565 43 V 4.3220 8.4627 119.5838 61.0120 33.3181 175.0932 44 A 4.0786 8.1948 130.3285 51.6336 18.6818 177.0318 45 L 4.3918 8.8473 122.9759 54.6494 43.0524 176.4060 46 L 4.8632 8.9703 121.8143 52.1789 44.2930 174.2496 47 P 3.3443 0.0000 0.0000 62.3339 31.4926 175.6706 48 E 4.2878 8.4602 124.6475 56.0611 30.6952 176.3477 *54 S 4.2292 7.5568 110.2805 58.1988 63.5435 173.2956 *56 L 4.2243 8.2189 119.6369 54.6814 43.4393 175.8001 57 W 5.1556 9.1246 125.5896 54.8433 32.5039 174.5961 58 K 5.2851 9.5026 124.2650 54.8370 35.8483 174.7121 59 A 4.9396 9.0619 127.0093 50.6491 22.5818 174.8820 60 T 4.8751 8.6925 119.5035 62.1792 70.0611 174.3197 61 I 4.6430 9.0417 127.6394 59.3302 41.2906 174.8693 62 V 4.5286 8.4698 126.3385 62.1553 32.2790 174.9251 63 L 4.8686 8.9918 127.6286 52.8231 45.7102 175.4434 64 S 4.7787 8.3360 115.9738 57.4350 64.2065 174.4263 65 R 3.9646 8.3876 126.1087 57.7835 30.2389 176.8807 66 G 3.9348 9.6456 114.9330 45.0099 0.0000 173.0303 67 V 4.2135 7.0207 120.1179 61.1909 32.5632 175.5344 68 S 4.5514 8.7034 123.3697 57.9248 63.0874 173.2093 69 V 4.5453 8.9710 126.7187 61.2808 34.7034 173.9942 70 Q 5.3633 9.1834 127.0252 54.9127 31.2410 174.1832 71 Y 4.9571 8.6661 119.7764 56.2159 41.9585 173.6497 72 R 5.1635 9.2061 118.3184 55.1954 35.4585 173.7423 73 Y 5.4855 9.5528 119.1815 56.7597 40.7134 174.8431 74 F 5.8458 8.8813 116.7897 55.1745 42.2535 173.2552 75 K 4.5883 8.9531 119.1491 55.3384 35.0251 176.2630 76 G 4.2055 7.4375 107.0593 46.6885 0.0000 170.7595 77 Y 5.1655 8.2998 117.2562 56.1832 41.4844 175.1011 78 F 5.0373 9.2310 122.4234 56.0065 40.5146 175.0818 79 L 4.6743 9.0913 124.9691 53.0664 43.5231 176.3932 80 E 4.1812 8.7581 123.1607 55.5634 30.4714 174.6780 81 P 4.4180 0.0000 0.0000 63.1631 31.4546 176.5981 82 K 4.0688 8.9133 125.0400 58.6926 32.7817 177.0022 83 T 4.6060 7.4490 107.4544 59.0930 71.0992 173.4279 84 I 3.8045 8.1656 123.7492 63.3688 37.1104 176.7227 85 G 3.8921 9.0553 113.8365 45.1945 0.0000 172.9978 86 G 3.8482 7.8015 108.9506 44.2950 0.0000 171.5914 87 P 4.6026 0.0000 0.0000 62.1143 32.5381 175.7753 88 C 4.5756 8.5316 121.7366 59.2193 32.2816 172.4522 89 Q 4.5343 8.7417 127.4280 55.1973 30.5271 173.9705 90 V 4.4281 8.8102 126.3698 61.0676 33.5968 174.7598 91 I 4.3750 8.6111 128.8934 59.3803 39.5465 174.9236 92 V 3.5955 8.1934 128.2365 63.0969 31.4225 174.7945 93 H 4.7207 9.1035 129.2477 57.9991 30.0401 175.0488 94 K 4.8013 7.5608 116.1434 54.7295 36.5915 175.2696 95 W 5.1466 9.0664 124.0100 55.9478 30.2941 176.0655 96 E 3.5923 9.0350 120.6422 56.4063 29.6751 176.4627 97 T 4.4840 7.9586 115.3502 62.4393 68.9506 175.0721 98 H 4.2606 8.1033 122.4160 55.8201 28.8365 176.0758 *101 P 4.2833 0.0000 0.0000 62.5767 32.6863 175.8910 102 R 4.4274 8.1846 119.2989 55.6150 31.7731 175.8117 103 S 5.2952 8.1503 113.9034 57.3217 66.3978 173.1754 104 I 4.6609 9.2521 121.5006 60.2393 41.6513 173.8070 105 T 5.0966 8.5946 125.9779 60.4437 69.9667 170.4267 106 P 4.4093 0.0000 0.0000 62.9271 32.2225 176.8287 107 L 4.8605 8.6375 121.2451 53.9791 43.3510 175.3599 108 E 4.7876 7.7353 115.7272 54.2383 33.0040 175.2821 109 S 4.3302 8.6850 113.8283 60.9326 64.1567 174.1036 110 E 5.1873 7.9953 118.3043 54.3709 32.8168 175.4768 111 I 4.6572 8.6321 124.0679 59.5047 41.9372 174.2843 112 I 4.7345 8.3384 125.8956 59.6611 39.5516 174.8155 113 I 4.3121 8.9203 129.1689 59.5453 39.2461 174.3203 114 D 4.9693 8.7961 127.4724 52.5956 42.2037 174.6093 115 D 4.8182 9.0627 126.0624 52.7859 41.8104 178.1684 116 G 3.8903 8.4886 113.1440 46.9610 0.0000 176.6263 117 Q 5.0155 8.5866 121.0154 53.3883 30.8146 173.7075 118 F 3.9869 9.0309 126.6456 58.0924 39.9874 175.3515 119 G 3.7605 8.0699 112.4203 46.4422 0.0000 173.2837 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 6 S 8.32 4.43 0.00 4.00 4.07 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 0.00 0.00 0.00 7 G 7.60 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 0.00 0.00 0.00 8 P 0.00 5.15 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 9 S 9.08 4.69 0.00 3.84 3.83 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 0.00 0.00 0.00 10 Q 9.28 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 11 V 8.96 4.64 1.91 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 -0.08 0.00 0.00 0.87 0.00 0.00 12 A 8.75 5.04 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 13 F 9.17 5.09 0.00 3.01 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 14 E 9.35 5.41 0.00 1.99 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 2.24 2.25 0.00 15 I 8.38 4.65 1.01 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.99 0.04 0.00 0.00 16 R 9.66 5.07 0.00 1.93 1.84 0.00 3.43 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 17 G 8.27 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.24 4.58 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 1.27 0.00 0.00 19 L 7.82 4.52 0.00 1.41 1.14 -0.30 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.66 4.32 0.00 1.80 1.64 0.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.41 0.00 2.07 2.06 0.00 3.77 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 2.12 0.00 22 G 9.01 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.86 3.72 0.00 1.71 1.55 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 1.61 1.47 0.00 24 V 8.09 3.41 1.73 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 0.72 0.00 0.00 0.78 0.00 0.00 25 F 6.69 4.85 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.56 4.62 1.69 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.80 0.76 0.00 0.00 28 C 8.91 5.15 0.00 3.40 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 29 G 8.09 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 0.00 0.00 0.00 30 S 7.95 4.83 0.00 3.97 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 31 C 7.55 4.76 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 32 D 8.85 4.42 0.00 2.72 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 33 A 8.02 3.96 1.26 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 0.00 0.00 34 L 7.83 4.34 0.00 1.46 1.50 0.55 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.76 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 0.00 0.00 0.00 0.00 36 N 8.86 4.24 0.00 2.85 2.93 0.00 0.00 6.92 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 37 W 8.02 3.80 0.00 3.47 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 38 N 8.20 4.79 0.00 2.82 2.98 0.00 0.00 7.19 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 39 P 0.00 4.50 0.00 2.10 1.71 0.00 3.75 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 40 Q 8.29 4.04 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 41 N 8.09 4.89 0.00 2.86 2.85 0.00 0.00 6.95 7.23 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 42 A 7.81 4.35 1.61 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 43 V 8.46 4.32 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 0.99 0.00 0.00 0.94 0.00 0.00 44 A 8.19 4.08 0.17 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 45 L 8.85 4.39 0.00 1.87 1.99 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.97 4.86 0.00 1.65 1.44 0.91 0.98 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 47 P 0.00 3.34 0.00 1.46 0.52 0.00 3.47 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 48 E 8.46 4.29 0.00 1.82 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 0.00 2.16 2.14 0.00 *54 S 7.56 4.23 0.00 3.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.22 0.00 1.84 1.60 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.12 5.16 0.00 3.47 3.19 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 58 K 9.50 5.29 0.00 1.72 1.58 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.53 7.81 59 A 9.06 4.94 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 60 T 8.69 4.88 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 61 I 9.04 4.64 2.04 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 1.13 0.72 0.93 0.00 0.00 62 V 8.47 4.53 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 63 L 8.99 4.87 0.00 1.58 1.55 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.34 4.78 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.39 3.96 0.00 1.84 1.91 0.00 3.39 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 1.64 1.58 0.00 66 G 9.65 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 0.00 0.00 0.00 67 V 7.02 4.21 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 0.77 0.00 0.00 0.94 0.00 0.00 68 S 8.70 4.55 0.00 3.96 3.80 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 69 V 8.97 4.55 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 0.99 0.00 0.00 0.95 0.00 0.00 70 Q 9.18 5.36 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.40 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 71 Y 8.67 4.96 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 72 R 9.21 5.16 0.00 2.43 2.27 0.00 2.90 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 73 Y 9.55 5.49 0.00 3.09 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 74 F 8.88 5.85 0.00 2.67 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 0.00 0.00 0.00 75 K 8.95 4.59 0.00 1.35 1.25 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.37 7.81 76 G 7.44 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 0.00 0.00 0.00 0.00 77 Y 8.30 5.17 0.00 2.87 2.87 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 78 F 9.23 5.04 0.00 2.88 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 79 L 9.09 4.67 0.00 1.57 1.59 0.91 0.67 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 80 E 8.76 4.18 0.00 1.99 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 2.31 2.43 0.00 81 P 0.00 4.42 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 82 K 8.91 4.07 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 83 T 7.45 4.61 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 1.21 0.00 0.00 84 I 8.17 3.80 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 1.35 0.81 0.92 0.00 0.00 85 G 9.06 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.80 3.85 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 0.00 0.00 0.00 87 P 0.00 4.60 0.00 2.11 2.08 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 88 C 8.53 4.58 0.00 3.10 2.98 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 89 Q 8.74 4.53 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 90 V 8.81 4.43 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 0.50 0.00 0.00 0.34 0.00 0.00 91 I 8.61 4.38 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.96 0.00 0.00 92 V 8.19 3.60 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 0.12 0.00 0.00 -0.06 0.00 0.00 93 H 9.10 4.72 0.00 3.25 3.47 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.56 4.80 0.00 1.78 1.76 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.08 7.81 95 W 9.07 5.15 0.00 3.23 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 96 E 9.03 3.59 0.00 1.36 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 0.00 0.00 0.00 2.63 2.28 0.00 97 T 7.96 4.48 4.26 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 1.24 0.00 0.00 98 H 8.10 4.26 0.00 3.08 2.56 0.00 6.01 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 P 0.00 4.28 0.00 2.23 2.09 0.00 3.77 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 1.89 1.92 0.00 102 R 8.18 4.43 0.00 0.67 1.24 0.00 2.78 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 103 S 8.15 5.30 0.00 3.88 3.81 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 0.00 104 I 9.25 4.66 2.18 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 1.30 1.60 1.17 0.00 0.00 105 T 8.59 5.10 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 1.23 0.00 0.00 106 P 0.00 4.41 0.00 2.10 2.18 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 107 L 8.64 4.86 0.00 1.60 1.67 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.74 4.79 0.00 1.99 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 2.15 2.37 0.00 109 S 8.69 4.33 0.00 3.91 4.15 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 0.00 110 E 8.00 5.19 0.00 1.78 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 2.17 2.29 0.00 111 I 8.63 4.66 1.72 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 1.18 0.69 0.82 0.00 0.00 112 I 8.34 4.73 1.82 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 1.28 0.55 0.90 0.00 0.00 113 I 8.92 4.31 1.61 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.66 1.17 0.00 0.00 114 D 8.80 4.97 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 9.06 4.82 0.00 2.76 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 0.00 116 G 8.49 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.59 5.02 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 118 F 9.03 3.99 0.00 2.54 2.86 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 0.00 119 G 8.07 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.