NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5916 8.3349 115.2909 58.0722 65.3444 173.5232 1 M 4.5370 6.8956 118.9193 52.9286 32.0339 174.5914 2 G 3.8671 8.9994 117.1140 46.8233 0.0000 172.5014 3 V 4.0123 7.6143 119.6855 60.5131 32.2489 176.7050 4 T 4.3433 8.2810 116.4955 60.5915 71.2363 175.9290 5 V 3.2895 8.1749 121.9753 64.8738 31.0522 178.2755 6 Q 2.5200 7.4341 119.4078 58.5439 28.9256 177.6466 7 D 4.1995 7.6830 119.7528 57.4888 40.8747 178.9771 8 I 3.6675 7.4410 120.0329 64.5918 37.0411 178.4010 9 C 4.0695 7.5421 117.4074 62.7482 27.9665 176.1537 10 F 4.4682 8.4276 119.6394 60.4648 38.3970 177.6530 11 A 4.0087 8.2060 120.4831 55.0806 18.2112 179.3219 12 F 4.0293 8.2991 119.1711 61.5346 39.4204 177.3869 13 L 3.3235 8.0377 118.4823 57.4060 41.4352 179.0847 14 Q 3.9671 7.9606 119.4979 59.4572 28.9592 178.2957 15 N 4.3112 8.1302 117.3158 56.5816 38.5993 176.4427 16 Y 2.6152 7.4530 121.0931 60.6649 38.7528 177.9194 17 Y 4.1779 7.8335 117.5151 60.6928 37.9874 178.3078 18 E 3.8778 8.2215 120.5165 59.3785 29.7206 178.8913 19 R 3.8881 8.0058 118.7675 59.5171 29.7366 178.1475 20 M 3.7701 7.6908 118.1535 58.4879 31.9902 178.2438 21 R 3.9023 7.8116 118.0932 58.8540 30.2979 177.6590 22 T 4.5611 7.4824 107.9808 62.3717 70.7981 174.7075 23 D 4.5365 8.2379 123.2679 50.9632 42.3618 173.3319 24 P 4.2226 0.0000 0.0000 64.6867 31.2901 177.8319 25 S 4.4493 7.9070 113.0187 59.5356 63.2599 175.3858 26 K 4.7924 8.0076 121.0468 56.2804 32.7370 177.6793 27 L 4.1888 8.0225 120.8942 57.8277 41.4847 179.0686 28 A 4.2751 8.1691 120.0901 55.2334 18.0316 178.8657 29 Y 4.1171 7.5854 113.7279 60.5110 38.0750 177.8712 30 F 4.4570 8.7126 118.5093 58.5118 39.1714 174.4497 31 Y 4.8548 7.6071 116.2641 55.9399 39.5419 175.5047 32 A 4.3300 8.8529 126.8847 51.9606 19.3121 179.0336 33 S 4.2510 8.8149 114.3701 60.8779 63.1506 175.9328 34 T 4.7289 7.7015 109.0241 60.9034 69.0189 174.0095 35 A 4.5138 8.0264 123.8342 53.1692 20.0305 177.0635 36 E 5.1048 9.1772 119.0682 54.4102 32.8545 175.0288 37 L 5.2236 8.9178 125.4853 53.5313 45.7434 175.1461 38 T 4.8045 9.0167 122.2961 62.3317 71.9789 172.4835 39 H 4.7859 8.7869 126.4816 55.1878 34.0771 171.0869 40 T 4.4721 8.0112 114.9176 62.2359 69.2763 174.7120 41 N 4.4152 8.5396 126.3514 53.4656 39.6136 174.5311 42 Y 4.7356 8.4136 125.2545 57.8692 38.6273 175.2579 *55 P 4.6238 0.0000 0.0000 62.1566 33.1366 176.0376 56 T 5.0544 7.6375 110.0556 58.9032 72.5426 172.2635 57 V 4.3661 8.2991 121.5090 60.8430 34.6895 173.9633 58 K 4.8579 8.5020 127.9063 54.7543 34.0198 175.3788 59 V 4.5744 8.6858 119.8983 59.8681 36.3102 174.5315 60 T 4.8793 8.6440 118.9172 62.9729 71.5794 174.6760 61 G 3.9949 9.1517 113.1496 45.4291 0.0000 174.6521 62 R 3.8640 8.8379 121.5317 59.1639 30.0071 179.1707 63 E 3.9467 8.0543 118.0657 59.5182 29.6316 178.8981 64 N 4.4012 8.0646 116.0231 56.1777 38.6494 177.4341 65 I 3.5541 7.8224 121.4415 64.3062 37.0815 177.9545 66 N 4.4636 8.4491 118.1803 56.6638 38.6692 177.1435 67 K 4.0184 8.0615 120.0420 59.0435 32.0025 179.1453 68 F 4.0620 8.1180 120.9684 61.5242 39.1739 177.3699 69 F 4.1914 7.9083 115.7962 60.3281 38.4858 177.7866 70 S 4.3775 8.5445 117.7259 62.1860 62.5011 177.4367 71 R 3.9978 8.0605 122.4935 60.7644 29.3293 179.3931 72 N 4.8533 7.4704 114.9944 52.9695 39.2311 176.6191 73 D 4.3100 7.6735 121.6356 57.5846 40.8063 178.1054 74 A 3.8703 7.7744 120.3638 55.1416 18.2072 179.5449 75 K 3.3864 7.4968 115.0262 59.3938 32.0856 179.3467 76 V 3.8016 7.4793 118.4485 66.0205 31.2712 178.1144 77 R 4.3360 8.0186 118.8182 58.0575 29.8401 176.9012 78 S 4.6009 7.5108 111.2402 58.0103 63.3128 173.1120 79 L 4.7631 7.4534 121.9244 55.1043 42.8377 176.1126 80 K 4.5185 8.5754 124.3348 54.4055 35.3984 174.9585 81 L 5.0941 8.1458 124.7339 53.3778 45.5663 175.0430 82 K 4.5963 9.1308 126.0897 54.7071 35.7139 174.6866 83 L 4.6836 8.5869 127.4236 54.5294 42.1512 176.1478 84 D 4.7327 8.9647 124.3148 56.1160 42.5635 176.7245 85 T 4.7980 7.5169 107.7344 59.8445 72.5194 173.3362 86 I 5.1376 8.3548 122.9724 60.0594 40.6141 174.2666 87 D 4.6736 9.3362 127.2508 52.2782 44.5083 175.0856 88 F 5.4485 7.1501 115.0378 55.8733 41.1758 173.4506 89 Q 4.6712 8.9680 117.9750 54.4193 33.4683 174.1158 90 Y 4.8495 8.4528 119.1956 59.2367 39.1011 175.0992 91 T 4.2031 9.2132 117.7891 63.7607 74.0501 173.7746 92 G 3.9418 8.5506 109.4710 45.6070 0.0000 171.8304 93 H 4.1703 8.7780 120.0396 57.5892 29.9065 176.1098 94 L 3.6791 9.1301 125.3095 55.6855 39.0677 174.0598 95 H 4.0797 8.2243 112.4035 57.0186 26.5651 175.9505 96 K 4.3415 8.1224 118.5437 57.0086 32.9534 177.1613 97 S 5.0264 8.0216 115.8306 57.7807 65.1531 173.0537 98 I 4.8648 8.7080 121.5805 59.5381 40.6314 174.4378 99 L 4.9643 8.8331 129.3652 53.7369 43.8204 175.0600 100 I 5.2045 8.7615 126.7016 59.7297 40.8040 174.1266 101 M 5.2337 9.2609 125.4222 53.7420 35.3405 173.8873 102 A 5.3862 9.5331 127.5978 50.3644 22.9113 174.8090 103 T 4.4411 8.6975 110.8696 59.5533 72.4446 174.2941 104 G 4.0923 6.1175 106.8265 45.4636 0.0000 171.4236 105 E 5.4737 8.2443 118.9629 55.0527 34.0281 175.0297 106 M 5.2993 9.0115 121.6276 54.3158 36.1482 173.6396 107 F 5.0571 8.7494 119.3026 55.8177 42.0308 172.5913 108 W 5.2038 8.6857 119.2009 56.7512 31.2370 179.2391 109 T 3.5949 8.5307 121.4708 66.3811 68.0909 174.9870 110 G 3.9414 7.6970 109.6694 47.4954 0.0000 175.1913 111 T 4.6170 7.1517 112.2178 59.8192 68.7437 174.4857 112 P 4.2399 0.0000 0.0000 62.1813 31.7096 174.9035 113 V 4.2801 7.6956 119.6230 61.5221 33.0652 174.2557 114 Y 4.7127 8.5960 125.5369 55.9948 40.6007 175.4011 115 K 4.9387 8.7498 123.5697 56.3227 33.9676 175.8960 116 F 5.6794 9.0429 118.1675 55.4453 42.3105 172.9592 117 C 5.0846 9.3427 119.4437 57.7678 34.8501 172.4247 118 Q 5.0898 9.5110 126.9536 54.6459 32.5157 173.8183 119 T 5.1534 8.7228 121.6883 61.7885 72.4348 172.9590 120 F 5.4416 9.1990 123.1575 55.7445 43.2950 173.9210 121 I 4.9297 8.6377 122.1540 59.5401 40.1265 174.4433 122 L 5.1075 8.8167 126.6892 52.7721 44.4904 175.1029 123 L 5.1566 8.9423 125.7846 52.2948 44.9903 173.8217 124 P 4.4982 0.0000 0.0000 62.6788 31.9973 176.2748 125 S 4.2849 8.8538 119.0065 58.3233 63.8501 175.6082 126 S 4.0444 8.7502 116.0774 61.3722 61.2335 175.3718 127 N 4.6418 8.1699 115.1386 52.5283 38.5878 175.7710 128 G 3.8618 8.1386 105.8563 46.4016 0.0000 175.5860 129 S 4.2366 7.5004 117.5180 60.9565 63.0675 174.4811 130 T 4.7662 7.9674 108.5385 59.9990 72.7537 173.2365 131 F 4.8550 8.8036 121.1645 56.6815 39.7744 175.2516 132 D 5.0760 8.7698 124.5751 53.0917 43.0137 176.1669 133 I 4.3937 8.5874 124.2234 61.7220 37.5930 176.6936 134 T 4.5142 9.1073 117.6425 62.6401 70.8700 174.3613 135 N 5.5418 7.9926 118.8526 51.9964 43.5653 173.0642 136 D 5.0683 8.9584 121.8421 53.1310 45.3543 173.9363 137 I 5.0696 8.5893 125.9246 59.6046 41.2695 174.1173 138 I 5.0447 8.4739 126.4043 59.3229 40.9483 174.5045 139 R 4.4766 8.7407 126.2301 54.3303 34.6289 174.1992 140 F 5.5473 8.2715 120.0539 56.7537 40.5089 175.9612 141 I 4.2273 8.6339 115.6101 61.0776 37.1524 175.3519 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 0 S 8.33 4.59 0.00 3.85 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 1 M 6.90 4.54 0.00 2.08 1.21 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 G 9.00 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 3 V 7.61 4.01 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 0.84 0.00 0.00 0.95 0.00 0.00 4 T 8.28 4.34 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 1.19 0.00 0.00 5 V 8.17 3.29 1.44 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 0.77 0.00 0.00 0.25 0.00 0.00 6 Q 7.43 2.52 0.00 1.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 7 D 7.68 4.20 0.00 2.80 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 8 I 7.44 3.67 1.72 0.00 0.00 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 1.58 0.88 0.49 0.00 0.00 9 C 7.54 4.07 0.00 2.32 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 10 F 8.43 4.47 0.00 2.94 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 11 A 8.21 4.01 1.44 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 12 F 8.30 4.03 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 13 L 8.04 3.32 0.00 1.83 1.81 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.96 3.97 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 15 N 8.13 4.31 0.00 2.86 3.02 0.00 0.00 6.74 6.99 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 16 Y 7.45 2.62 0.00 1.43 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 0.00 0.00 0.00 0.00 17 Y 7.83 4.18 0.00 3.11 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 18 E 8.22 3.88 0.00 2.16 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 2.31 2.36 0.00 19 R 8.01 3.89 0.00 2.19 1.93 0.00 3.24 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 20 M 7.69 3.77 0.00 2.23 1.68 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 21 R 7.81 3.90 0.00 2.02 2.07 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 22 T 7.48 4.56 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 1.25 0.00 0.00 23 D 8.24 4.54 0.00 2.62 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 24 P 0.00 4.22 0.00 2.33 2.05 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 25 S 7.91 4.45 0.00 4.07 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 26 K 8.01 4.79 0.00 2.01 1.92 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.48 7.81 27 L 8.02 4.19 0.00 1.59 1.39 -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.17 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.59 4.12 0.00 3.13 3.02 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 0.00 0.00 0.00 30 F 8.71 4.46 0.00 3.36 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 31 Y 7.61 4.85 0.00 3.26 3.04 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 32 A 8.85 4.33 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 33 S 8.81 4.25 0.00 4.05 4.18 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 34 T 7.70 4.73 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 1.23 0.00 0.00 35 A 8.03 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.18 5.10 0.00 1.91 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 2.21 2.23 0.00 37 L 8.92 5.22 0.00 1.60 1.24 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.02 4.80 4.16 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 1.11 0.00 0.00 39 H 8.79 4.79 0.00 2.79 2.59 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.01 4.47 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 1.14 0.00 0.00 41 N 8.54 4.42 0.00 2.78 2.75 0.00 0.00 7.21 7.70 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 42 Y 8.41 4.74 0.00 3.21 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 *55 P 0.00 4.62 0.00 2.13 2.29 0.00 3.63 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 1.96 1.98 0.00 56 T 7.64 5.05 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 1.13 0.00 0.00 57 V 8.30 4.37 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 0.87 0.00 0.00 0.95 0.00 0.00 58 K 8.50 4.86 0.00 1.69 1.58 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.34 7.81 59 V 8.69 4.57 1.97 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 0.51 0.00 0.00 0.68 0.00 0.00 60 T 8.64 4.88 4.22 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 1.21 0.00 0.00 61 G 9.15 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 62 R 8.84 3.86 0.00 1.90 1.92 0.00 2.98 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 63 E 8.05 3.95 0.00 2.05 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 2.42 2.41 0.00 64 N 8.06 4.40 0.00 2.86 2.82 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 65 I 7.82 3.55 1.83 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 1.10 0.63 0.51 0.00 0.00 66 N 8.45 4.46 0.00 2.68 2.97 0.00 0.00 7.25 7.87 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 67 K 8.06 4.02 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.69 7.81 68 F 8.12 4.06 0.00 3.00 2.93 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 69 F 7.91 4.19 0.00 3.10 3.07 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 70 S 8.54 4.38 0.00 3.95 3.92 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 71 R 8.06 4.00 0.00 1.90 1.85 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 72 N 7.47 4.85 0.00 2.38 2.29 0.00 0.00 6.59 9.28 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 73 D 7.67 4.31 0.00 2.90 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 74 A 7.77 3.87 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 75 K 7.50 3.39 0.00 0.98 0.93 0.00 1.52 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.01 1.10 7.81 76 V 7.48 3.80 2.05 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 1.08 0.00 0.00 0.90 0.00 0.00 77 R 8.02 4.34 0.00 1.85 2.13 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 78 S 7.51 4.60 0.00 4.11 4.10 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 0.00 0.00 0.00 79 L 7.45 4.76 0.00 2.12 1.76 0.62 0.58 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 80 K 8.58 4.52 0.00 0.79 0.80 0.00 1.34 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 1.17 7.81 81 L 8.15 5.09 0.00 1.37 1.27 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.13 4.60 0.00 1.83 1.63 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.40 7.81 83 L 8.59 4.68 0.00 1.55 1.60 1.05 1.20 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 84 D 8.96 4.73 0.00 2.56 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 85 T 7.52 4.80 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 1.17 0.00 0.00 86 I 8.35 5.14 2.19 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 1.50 0.74 1.37 0.00 0.00 87 D 9.34 4.67 0.00 2.43 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 88 F 7.15 5.45 0.00 2.82 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 89 Q 8.97 4.67 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 90 Y 8.45 4.85 0.00 2.96 3.02 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 0.00 0.00 0.00 91 T 9.21 4.20 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 1.21 0.00 0.00 92 G 8.55 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 93 H 8.78 4.17 0.00 3.17 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.13 3.68 0.00 1.68 1.65 0.77 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.22 4.08 0.00 3.22 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.12 4.34 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.54 7.81 97 S 8.02 5.03 0.00 4.02 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 98 I 8.71 4.86 1.48 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.73 0.65 0.00 0.00 99 L 8.83 4.96 0.00 1.76 1.66 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.76 5.20 2.13 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 1.20 0.57 1.23 0.00 0.00 101 M 9.26 5.23 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 102 A 9.53 5.39 1.44 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 0.00 103 T 8.70 4.44 4.02 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 0.00 0.00 1.11 0.00 0.00 104 G 6.12 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 0.00 0.00 0.00 105 E 8.24 5.47 0.00 1.99 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 2.24 2.38 0.00 106 M 9.01 5.30 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 107 F 8.75 5.06 0.00 3.21 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 0.00 108 W 8.69 5.20 0.00 3.50 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 0.00 109 T 8.53 3.59 4.34 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 1.28 0.00 0.00 110 G 7.70 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 0.00 111 T 7.15 4.62 4.28 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 1.23 0.00 0.00 112 P 0.00 4.24 0.00 1.38 1.77 0.00 3.82 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 1.98 2.02 0.00 113 V 7.70 4.28 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 0.79 0.00 0.00 0.63 0.00 0.00 114 Y 8.60 4.71 0.00 2.78 2.40 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 0.00 0.00 0.00 0.00 115 K 8.75 4.94 0.00 1.74 1.76 0.00 1.56 0.00 0.00 2.03 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.38 7.81 116 F 9.04 5.68 0.00 3.27 3.45 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 0.00 117 C 9.34 5.08 0.00 2.91 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 0.00 118 Q 9.51 5.09 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 1.34 2.04 0.00 119 T 8.72 5.15 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 1.27 0.00 0.00 120 F 9.20 5.44 0.00 2.88 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 0.00 121 I 8.64 4.93 1.90 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 1.24 0.79 0.93 0.00 0.00 122 L 8.82 5.11 0.00 1.34 1.51 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.94 5.16 0.00 1.71 1.52 0.94 0.78 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 0.00 124 P 0.00 4.50 0.00 1.84 1.62 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 125 S 8.85 4.28 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.75 4.04 0.00 3.87 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 0.00 127 N 8.17 4.64 0.00 2.71 2.78 0.00 0.00 7.08 8.61 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 0.00 128 G 8.14 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 0.00 0.00 0.00 129 S 7.50 4.24 0.00 3.88 3.92 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 0.00 130 T 7.97 4.77 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 1.22 0.00 0.00 131 F 8.80 4.86 0.00 2.93 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 0.00 132 D 8.77 5.08 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 0.00 133 I 8.59 4.39 1.34 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 1.05 0.00 0.00 134 T 9.11 4.51 4.29 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 1.26 0.00 0.00 135 N 7.99 5.54 0.00 2.65 2.70 0.00 0.00 6.55 8.08 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 0.00 136 D 8.96 5.07 0.00 3.02 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 0.00 137 I 8.59 5.07 1.78 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 1.05 0.63 0.83 0.00 0.00 138 I 8.47 5.04 1.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.11 0.59 0.00 0.00 139 R 8.74 4.48 0.00 1.65 1.68 0.00 3.25 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 1.41 1.65 0.00 140 F 8.27 5.55 0.00 3.01 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 0.00 141 I 8.63 4.23 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 1.16 0.67 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.