NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.3082 8.3293 119.1188 54.5399 30.1778 175.2391 3 V 3.6244 7.9721 119.8764 60.5148 32.0925 174.1676 4 I 4.1546 8.0019 127.0080 60.3483 37.5323 176.2454 5 N 5.0511 8.4075 121.1449 51.9314 38.6909 174.2876 6 T 4.5921 7.6317 109.6106 60.5585 72.0768 175.2704 7 F 4.1773 8.4287 120.3536 61.1199 39.0023 177.7652 8 D 4.5351 8.3417 118.0371 57.2443 40.6951 178.9508 9 G 3.6464 8.3357 106.3611 47.8850 0.0000 176.0341 10 V 3.6729 8.4342 121.2043 65.4268 31.6489 177.8708 11 A 4.0675 8.3757 120.8376 55.5255 17.7233 179.4347 12 D 4.3460 8.4023 117.3458 57.3875 40.7531 178.4499 13 Y 4.0394 8.1908 120.2273 60.6626 38.7886 177.8176 14 L 4.0343 8.1855 120.0574 58.1796 41.5946 179.5809 15 Q 3.5888 7.6971 115.1813 57.8153 28.6923 177.8011 16 T 3.8795 6.8996 114.7132 65.0083 69.5372 175.3338 17 Y 4.0821 8.0277 116.1459 57.6235 38.7844 175.1766 18 H 3.0766 7.4486 116.3828 55.6900 26.6159 174.1371 19 K 4.4733 7.4227 114.5534 56.4952 34.4706 174.3220 20 L 4.1429 8.4535 119.9203 53.3794 42.3593 175.3043 21 P 3.8452 0.0000 0.0000 61.9521 31.7951 177.0920 22 D 4.4091 8.3008 118.3184 55.7823 39.3892 176.9495 23 N 4.4327 7.9156 116.2461 53.7338 37.9591 173.6367 24 Y 5.0197 7.4317 117.9028 57.0232 39.3024 175.0710 25 I 4.9643 8.5878 116.2841 59.1051 41.6183 175.0103 26 T 4.5287 8.7882 114.3574 61.3733 70.1596 175.6616 27 K 3.8375 9.2914 121.8475 59.8464 32.0607 179.5192 28 S 4.1719 8.1318 112.5336 61.5340 62.4194 175.8287 29 E 3.9837 8.2431 120.9625 59.3833 29.1346 179.2770 30 A 4.0022 8.3770 121.0728 55.2122 18.3938 179.3936 31 Q 4.3237 8.8707 116.8781 59.5679 28.6767 179.4913 32 A 4.0434 8.0344 119.9486 55.0831 18.4866 179.2724 33 L 4.2231 7.7112 116.0815 55.5830 41.7296 177.8324 34 G 4.1518 7.8095 107.3397 44.9024 0.0000 173.6936 35 W 4.3774 8.5957 131.0244 56.9797 31.1409 175.6725 36 V 3.7055 8.9915 125.9084 60.5162 32.1187 175.3626 37 A 3.6966 7.3495 131.5951 55.2679 18.0641 179.2075 38 S 4.6137 7.8414 106.9805 59.9087 63.2910 174.7453 39 K 4.2250 7.9808 120.0093 55.7538 32.5754 176.4844 40 G 2.9693 7.3120 106.9918 46.4349 0.0000 173.7861 41 N 4.8671 7.9237 113.0795 52.2408 38.2241 176.0638 42 L 3.9829 8.4589 122.4113 59.1355 41.4622 178.7893 43 A 4.1843 8.1484 119.3609 54.7046 18.1128 179.1232 44 D 4.3694 8.0417 117.3665 56.9737 41.0831 178.3778 45 V 4.1975 7.7489 109.7752 61.3949 33.8516 176.5336 46 A 4.6888 7.8897 121.5535 49.6227 19.6665 173.3186 47 P 4.5100 0.0000 0.0000 62.7419 32.2272 177.8377 48 G 3.8859 8.8256 110.1665 45.4778 0.0000 173.1739 49 K 4.6678 7.6218 118.7170 55.1208 33.9895 176.1764 50 S 4.6533 8.1622 118.1886 56.3353 66.9619 173.6086 51 I 4.2691 7.9644 123.1219 61.2905 37.9045 175.4614 52 G 4.2096 9.1869 113.2984 47.0115 0.0000 173.4083 53 G 4.4303 9.6091 108.8995 44.7296 0.0000 174.3821 54 D 4.7012 8.0077 119.7480 53.9476 42.3718 175.7590 55 I 4.3200 8.3232 122.4936 61.4311 38.0041 175.0491 56 F 4.6897 9.0678 129.7323 56.5631 39.9095 175.8739 57 S 3.9511 8.2197 122.8321 59.9454 63.3027 174.0082 58 N 3.8309 6.4763 116.9129 54.3422 37.0929 176.1007 59 R 3.8585 7.7027 116.9036 59.2010 29.7502 178.3695 60 E 4.0066 8.0710 115.8075 56.8403 29.7336 177.7997 61 G 4.0404 7.7909 106.4920 46.3155 0.0000 175.3593 62 K 4.1015 7.5892 121.7279 58.7701 32.2346 178.0860 63 L 3.6951 7.5267 117.8068 52.3306 42.2629 174.9930 64 P 4.2723 0.0000 0.0000 63.1687 31.5835 176.1061 65 G 4.2348 8.2665 111.0394 44.2241 0.0000 172.5663 66 K 4.3465 7.8723 117.6686 55.0084 34.9227 174.9064 67 S 4.2478 8.6072 122.0921 60.1181 63.1052 174.9979 68 G 3.8628 8.9435 113.3876 45.1013 0.0000 172.9252 69 R 4.1408 7.7548 120.8817 55.1111 31.0678 175.3267 70 T 4.7160 8.0456 114.8984 59.5959 72.3587 172.7447 71 W 5.0354 8.6537 122.1060 55.1028 32.5553 174.7945 72 R 5.2066 8.7764 121.9359 54.2578 34.1020 174.0744 73 E 5.4168 9.2216 117.7703 54.9879 33.6140 174.4212 74 A 4.9997 8.8231 120.9793 50.5603 23.0461 175.4861 75 D 4.9698 9.3122 121.9372 54.4450 41.5382 176.1017 76 I 4.4490 8.1983 122.5383 60.2255 40.6969 175.9187 77 N 4.3684 8.9836 121.1355 54.1090 36.6064 173.7341 78 Y 4.3803 7.3053 120.4929 57.1347 39.7203 175.9478 79 T 4.0363 6.9667 113.8860 62.7193 71.3933 173.7686 80 S 4.2585 6.3344 111.7572 58.8990 65.4433 176.1680 81 G 3.8131 8.6140 108.5497 44.7719 0.0000 173.3997 82 F 4.4256 8.6773 117.5019 57.2459 39.5992 175.4130 83 R 4.2509 8.7609 122.0367 56.6230 30.6982 176.6880 84 N 5.0565 8.4542 117.6470 52.1723 40.0563 175.1604 85 S 4.2411 8.5089 114.6115 58.7120 64.6191 172.7407 86 D 5.4467 8.5468 122.0366 53.4745 42.3841 175.8156 87 R 4.9720 9.1709 121.4912 54.5668 35.3384 173.6595 88 I 5.1050 9.0285 122.5461 59.4623 40.7471 174.0492 89 L 5.5339 9.4683 129.5955 53.1929 44.0766 175.0279 90 Y 5.7152 9.1250 122.1922 55.4001 41.5709 175.2044 91 S 4.0946 8.5532 117.5852 56.4031 65.0210 175.3540 92 S 3.4571 8.0233 115.2101 60.3453 62.6828 174.8324 93 D 4.5434 7.3294 118.9089 52.4345 39.2622 175.9113 94 W 3.8311 7.1552 117.5307 58.4019 26.8742 174.3345 95 L 4.6249 7.8732 117.7592 54.5271 43.0339 176.4454 96 I 5.4564 8.7500 122.4957 60.0807 41.0145 174.1857 97 Y 5.2872 9.8595 124.2215 55.9559 42.2632 174.5752 98 K 5.2913 9.5135 119.8815 55.5272 36.2632 174.9160 99 T 4.9349 9.1189 115.9285 60.3759 70.7694 174.0641 100 T 5.1702 8.7339 115.1728 60.2591 69.3469 173.4039 101 D 4.7561 7.5151 121.1580 54.1423 40.2948 174.9736 102 H 3.5611 8.4931 111.8397 58.5970 26.3357 174.8848 103 Y 3.2635 7.1977 110.2875 58.8500 36.1513 171.8748 104 Q 4.1548 7.8561 120.4092 58.5298 28.9465 176.6964 105 T 4.6508 7.8745 105.2054 59.6784 71.8672 172.8765 106 F 5.3342 8.5633 120.4834 56.0384 43.0524 174.3042 107 T 4.8783 8.8867 111.0848 59.5403 72.1173 173.1849 108 K 3.6469 8.6653 125.4894 56.4164 32.4970 176.2778 109 I 4.5192 8.5387 118.3949 60.5457 39.6232 175.7296 110 R 4.1650 7.5653 127.0828 56.7884 31.0303 174.5199 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 Q 8.33 4.31 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 3 V 7.97 3.62 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 0.79 0.00 0.00 0.81 0.00 0.00 4 I 8.00 4.15 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.92 0.00 0.00 5 N 8.41 5.05 0.00 2.76 2.83 0.00 0.00 5.85 7.22 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 6 T 7.63 4.59 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 1.21 0.00 0.00 7 F 8.43 4.18 0.00 3.13 3.10 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 8 D 8.34 4.54 0.00 2.76 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 9 G 8.34 3.65 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 0.00 10 V 8.43 3.67 2.16 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 0.91 0.00 0.00 1.04 0.00 0.00 11 A 8.38 4.07 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 0.00 0.00 0.00 0.00 0.00 12 D 8.40 4.35 0.00 2.83 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 13 Y 8.19 4.04 0.00 3.29 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 14 L 8.19 4.03 0.00 1.90 1.80 0.59 0.50 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 15 Q 7.70 3.59 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 16 T 6.90 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 0.57 0.00 0.00 17 Y 8.03 4.08 0.00 2.66 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 18 H 7.45 3.08 0.00 3.17 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.42 4.47 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 20 L 8.45 4.14 0.00 1.66 1.49 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.85 0.00 2.04 0.79 0.00 3.59 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.37 0.00 22 D 8.30 4.41 0.00 2.75 2.81 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 23 N 7.92 4.43 0.00 2.76 2.92 0.00 0.00 6.23 7.57 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 24 Y 7.43 5.02 0.00 2.99 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 25 I 8.59 4.96 1.94 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 1.34 1.22 0.89 0.00 0.00 26 T 8.79 4.53 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 1.32 0.00 0.00 27 K 9.29 3.84 0.00 1.93 2.13 0.00 2.08 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.69 7.81 28 S 8.13 4.17 0.00 3.94 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 29 E 8.24 3.98 0.00 2.23 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 2.36 2.36 0.00 30 A 8.38 4.00 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 31 Q 8.87 4.32 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.99 0.00 32 A 8.03 4.04 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 33 L 7.71 4.22 0.00 1.86 1.78 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.81 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 0.00 0.00 0.00 35 W 8.60 4.38 0.00 3.17 3.30 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 36 V 8.99 3.71 1.94 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 0.78 0.00 0.00 0.89 0.00 0.00 37 A 7.35 3.70 0.97 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 0.00 0.00 38 S 7.84 4.61 0.00 4.04 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 39 K 7.98 4.23 0.00 1.68 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.32 7.81 40 G 7.31 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 0.00 0.00 0.00 41 N 7.92 4.87 0.00 2.88 2.98 0.00 0.00 5.73 6.67 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 42 L 8.46 3.98 0.00 1.46 1.69 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.15 4.18 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 44 D 8.04 4.37 0.00 2.83 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 45 V 7.75 4.20 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 0.92 0.00 0.00 1.11 0.00 0.00 46 A 7.89 4.69 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 47 P 0.00 4.51 0.00 2.03 2.01 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 48 G 8.83 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 49 K 7.62 4.67 0.00 1.64 1.67 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.49 7.81 50 S 8.16 4.65 0.00 3.07 3.61 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 51 I 7.96 4.27 1.81 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.12 0.81 0.00 0.00 52 G 9.19 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 53 G 9.61 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.70 0.00 2.70 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 55 I 8.32 4.32 1.88 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 1.21 0.46 0.90 0.00 0.00 56 F 9.07 4.69 0.00 2.94 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 57 S 8.22 3.95 0.00 3.51 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 58 N 6.48 3.83 0.00 2.74 2.68 0.00 0.00 7.23 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 59 R 7.70 3.86 0.00 1.69 1.88 0.00 3.10 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 60 E 8.07 4.01 0.00 2.01 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 2.35 2.26 0.00 61 G 7.79 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 62 K 7.59 4.10 0.00 2.09 2.09 0.00 1.97 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 63 L 7.53 3.70 0.00 0.65 0.13 -0.85 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.27 0.00 2.32 2.16 0.00 3.09 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 65 G 8.27 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 0.00 0.00 0.00 66 K 7.87 4.35 0.00 1.75 1.55 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.39 7.81 67 S 8.61 4.25 0.00 3.88 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 68 G 8.94 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 69 R 7.75 4.14 0.00 1.59 1.85 0.00 3.22 0.00 0.00 2.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.99 0.00 70 T 8.05 4.72 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 1.13 0.00 0.00 71 W 8.65 5.04 0.00 3.47 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 72 R 8.78 5.21 0.00 0.67 1.54 0.00 3.02 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 73 E 9.22 5.42 0.00 2.08 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 2.46 2.37 0.00 74 A 8.82 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.31 4.97 0.00 2.70 2.63 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 76 I 8.20 4.45 1.24 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 -0.16 0.00 0.00 77 N 8.98 4.37 0.00 2.77 2.90 0.00 0.00 6.89 7.50 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 78 Y 7.31 4.38 0.00 2.95 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 79 T 6.97 4.04 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 1.06 0.00 0.00 80 S 6.33 4.26 0.00 3.85 3.65 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 81 G 8.61 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 0.00 0.00 0.00 82 F 8.68 4.43 0.00 3.18 3.11 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 83 R 8.76 4.25 0.00 1.96 2.00 0.00 3.01 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.65 0.00 84 N 8.45 5.06 0.00 2.85 2.96 0.00 0.00 5.99 7.64 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 85 S 8.51 4.24 0.00 3.89 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 86 D 8.55 5.45 0.00 2.87 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 87 R 9.17 4.97 0.00 1.62 1.79 0.00 3.48 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.00 88 I 9.03 5.11 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.91 1.07 0.00 0.00 89 L 9.47 5.53 0.00 1.71 1.45 0.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.12 5.72 0.00 3.11 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 91 S 8.55 4.09 0.00 2.72 2.63 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 92 S 8.02 3.46 0.00 3.71 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 93 D 7.33 4.54 0.00 2.73 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 94 W 7.16 3.83 0.00 3.53 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 95 L 7.87 4.62 0.00 1.61 2.02 1.12 1.04 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 96 I 8.75 5.46 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 1.13 0.00 0.00 97 Y 9.86 5.29 0.00 2.77 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 98 K 9.51 5.29 0.00 1.28 1.63 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.47 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.03 0.99 7.81 99 T 9.12 4.93 3.67 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 1.05 0.00 0.00 100 T 8.73 5.17 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 1.32 0.00 0.00 101 D 7.52 4.76 0.00 2.78 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 0.00 102 H 8.49 3.56 0.00 3.30 3.39 0.00 5.99 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 3.26 0.00 3.22 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 0.00 104 Q 7.86 4.15 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 105 T 7.87 4.65 4.20 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 1.20 0.00 0.00 106 F 8.56 5.33 0.00 2.86 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 0.00 107 T 8.89 4.88 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 1.22 0.00 0.00 108 K 8.67 3.65 0.00 1.30 1.53 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 0.97 7.81 109 I 8.54 4.52 1.83 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 1.30 0.88 0.75 0.00 0.00 110 R 7.57 4.17 0.00 1.88 1.92 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.