NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9164 8.3393 109.7379 45.5159 0.0000 172.9066 0 S 4.4692 8.2271 113.3964 57.6034 65.3177 171.4710 1 M 5.3135 9.2607 120.2411 53.6474 36.3668 176.0693 2 K 4.9642 8.9197 119.3863 54.6456 37.2219 175.2670 3 K 4.6387 9.2975 125.6180 55.4406 33.7650 175.3639 4 V 4.5483 8.9321 128.8700 61.5635 33.2079 174.0509 5 E 5.0615 9.5732 130.3588 54.5496 31.6137 174.2348 6 A 5.0466 9.1688 129.5338 50.0781 22.4525 174.7018 7 I 4.8823 8.5578 123.0895 59.6049 39.5643 174.9819 8 I 5.0955 8.6440 120.2610 58.4638 41.8201 175.1017 9 R 4.2914 8.3706 121.3248 55.4718 30.6792 176.3501 10 P 4.2661 0.0000 0.0000 65.6522 31.1146 178.5693 11 E 4.1075 8.1631 114.7319 58.5151 29.7932 178.1287 12 K 4.3178 7.9871 118.4988 56.4596 32.3787 178.1046 13 L 3.9457 7.8580 122.4866 58.2804 42.0823 178.6744 14 E 3.9619 8.0883 117.9723 59.4353 29.4761 179.0670 15 I 3.7104 7.6622 118.2230 63.9347 38.0753 177.9781 16 V 3.5641 7.9388 119.2046 65.8091 31.3308 177.8000 17 K 3.8779 8.3811 119.8311 59.4501 31.9960 178.6464 18 K 3.9124 8.1912 119.5302 59.4979 32.1379 178.6871 19 A 4.0682 8.1723 121.1140 55.0257 18.2061 179.5968 20 L 4.0861 8.2115 117.6895 58.0739 41.7030 179.6312 21 S 4.0907 8.3143 113.1403 61.6163 62.1103 175.7658 22 D 4.3499 8.3784 120.5189 57.2216 40.6716 177.9263 23 A 4.3178 7.5485 117.7448 52.1272 18.8819 178.0174 24 G 3.6789 8.0716 106.4268 45.3763 0.0000 174.6549 25 Y 4.5372 7.2634 118.7291 56.7250 36.5953 175.3070 26 V 3.8358 8.0450 123.0816 64.8170 32.4957 177.0158 27 G 3.8177 8.0036 108.8601 45.5407 0.0000 172.2345 28 M 4.8329 8.0740 119.8953 54.8189 34.0756 173.9525 29 T 4.6871 8.8176 116.9903 61.7817 71.8977 173.1572 30 V 4.9600 8.4870 125.3412 61.2288 34.1870 174.7283 31 S 4.8147 9.0693 122.7237 56.7389 67.0806 172.8066 32 E 4.6368 8.7878 123.1391 55.9456 30.3851 176.0374 33 V 4.6552 8.6334 116.7006 59.8012 36.8551 174.1265 34 K 5.0798 8.6835 119.6569 54.9136 35.2330 176.1678 35 G 4.4827 9.2232 109.5996 44.6057 0.0000 171.4091 36 R 4.9892 8.2711 115.6982 54.8418 32.6052 175.6093 37 G 4.0231 7.8621 106.5732 45.9350 0.0000 174.2179 38 V 3.6205 8.5928 118.7326 65.4549 32.0714 177.9415 39 Q 3.9116 8.2696 121.1064 57.5234 28.7971 177.8705 40 G 4.0705 7.8084 100.7868 45.1474 0.0000 172.5456 41 G 4.0621 8.0651 106.1380 45.0425 0.0000 173.4030 42 I 4.2163 8.3623 121.4403 60.8633 38.0762 175.7260 43 V 4.9209 8.1758 127.0108 61.5278 33.6984 174.8281 44 E 4.5335 8.7139 123.9559 56.2873 32.7127 175.8387 45 R 4.3813 8.0039 120.9392 56.2043 32.8673 170.5933 46 Y 4.7333 8.4636 126.0377 54.7383 38.5581 173.4872 *51 Y 4.4887 7.4440 119.3024 57.4273 40.2420 174.1331 52 I 4.8419 8.4953 122.9186 59.2779 41.0624 175.1023 53 V 4.1093 9.0141 129.5636 61.6191 31.5571 175.6929 54 D 4.3354 8.7959 128.5193 56.0756 41.6039 176.1503 55 L 4.9381 7.8065 119.1810 53.1274 42.8176 176.2484 56 I 4.6675 8.5127 117.6577 57.9634 41.0749 173.3104 57 P 4.8184 0.0000 0.0000 63.1218 31.8980 175.7406 58 K 4.7796 9.2246 122.3764 54.7628 37.3717 174.9840 59 V 4.7948 8.6095 120.7192 61.0903 34.4382 173.9108 60 K 4.9904 9.0299 129.2049 54.9090 34.3054 174.6659 61 I 4.9346 8.7256 128.3154 59.5440 40.1195 174.2986 62 E 5.1956 9.3877 126.1722 54.5338 32.7552 174.9624 63 L 4.8981 8.9301 124.2622 52.9115 45.4050 175.6598 64 V 4.6310 8.4933 124.4904 62.0416 32.4842 175.3432 65 V 4.7039 8.7966 120.1887 59.1192 36.7082 175.1694 66 K 4.3324 8.6745 121.2081 56.5666 32.9044 177.7648 67 E 3.9040 9.0420 123.7404 59.7203 29.2185 179.4000 68 E 4.0943 8.2099 115.5202 58.7005 29.9426 177.6348 69 D 4.7513 8.1551 118.8786 54.5417 41.3437 178.4119 70 V 3.4887 7.5524 119.8564 66.1353 31.5159 177.3921 71 D 4.3270 8.0747 118.0079 57.4862 40.6763 178.3298 72 N 4.2999 8.0422 116.9126 56.5344 39.0728 176.8238 73 V 3.2971 7.6717 119.6695 65.9853 31.4514 177.9272 74 I 3.6161 7.8694 119.6410 64.5611 36.9298 178.0132 75 D 4.3489 8.1642 119.5542 57.4999 40.7022 179.1185 76 I 3.7094 7.8659 120.0735 64.3954 37.0588 178.5621 77 I 3.6608 7.8114 120.5926 64.5881 36.9719 178.2909 78 C 4.0684 8.2780 117.7649 62.8491 27.7572 175.7772 79 E 3.9275 8.1315 119.6025 59.1098 29.2995 177.9289 80 N 4.6175 8.0117 114.0903 54.2820 39.2121 176.3997 81 A 4.3985 8.0224 121.1858 52.0640 19.8816 177.7953 82 R 4.2945 7.1411 113.5117 56.3988 30.1662 176.6329 83 T 4.4107 9.6132 108.1975 60.6628 70.2989 175.2594 84 G 3.9473 8.8731 109.3852 45.0643 0.0000 172.6157 85 N 5.0046 7.6917 116.8592 50.3038 40.9600 172.6752 86 P 4.3352 0.0000 0.0000 64.5342 30.8342 176.9279 87 G 4.2626 8.8227 108.7965 46.4517 0.0000 175.0401 88 D 4.3303 7.3507 120.0450 55.5658 40.9723 175.3978 89 G 4.2374 7.3442 100.0494 44.8083 0.0000 172.4471 90 K 4.5761 8.1365 115.6116 54.5142 36.7337 175.7011 91 I 4.5658 7.8354 122.1895 59.4079 40.1450 174.8863 92 F 5.0565 9.0723 125.3012 55.6182 42.0477 174.3108 93 V 4.8457 8.5920 122.9874 61.2636 33.3093 174.6406 94 I 4.7723 8.7577 128.9903 58.5017 40.4534 173.3601 95 P 4.6331 0.0000 0.0000 62.8508 32.1829 175.6696 96 V 4.3337 8.1050 122.1771 61.4465 32.7318 175.2963 97 E 4.2895 9.0413 127.6193 58.4418 30.0952 177.0364 98 R 4.7043 7.5219 115.1396 54.5965 34.4215 174.1585 99 V 4.5190 8.2582 120.1481 61.1386 34.9283 174.1829 100 V 4.8945 8.3235 126.4172 61.0688 34.6225 174.3381 101 R 4.2333 8.8984 128.7373 55.4750 30.4651 177.1866 102 V 3.5676 8.6699 126.5412 66.0700 31.9211 177.9041 103 R 3.9902 8.1274 118.6122 58.6419 30.0167 176.7454 104 T 4.4051 7.0833 101.6438 60.1727 70.2775 174.6671 105 K 3.9428 8.4751 120.1209 57.0479 30.3966 175.6260 106 E 4.1248 7.8715 118.7795 56.5703 29.8200 175.9290 107 E 5.7100 7.6182 119.7028 54.2846 34.3488 177.7039 108 G 3.8544 8.4085 106.4250 46.4393 0.0000 176.4676 109 K 4.0683 8.5789 118.2826 59.3116 32.8031 178.8907 110 E 3.9312 8.4192 118.0314 59.4537 29.4523 178.9606 111 A 4.1209 7.8926 120.0214 54.1838 18.5364 177.8985 112 L 4.6187 7.8301 116.7366 54.7781 41.8761 176.7673 113 L 4.7992 7.7969 121.0048 52.7033 44.4375 180.8875 114 E 4.2495 8.8200 117.6653 55.5060 29.6703 174.7872 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 -1 G 8.34 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 0.00 0.00 0.00 0 S 8.23 4.47 0.00 4.00 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 1 M 9.26 5.31 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 2 K 8.92 4.96 0.00 1.59 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.30 4.64 0.00 1.79 1.69 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 4 V 8.93 4.55 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 0.88 0.00 0.00 0.87 0.00 0.00 5 E 9.57 5.06 0.00 2.08 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 0.00 2.37 2.31 0.00 6 A 9.17 5.05 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 7 I 8.56 4.88 1.87 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 1.36 1.24 0.93 0.00 0.00 8 I 8.64 5.10 1.85 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 1.35 0.84 0.87 0.00 0.00 9 R 8.37 4.29 0.00 1.89 2.21 0.00 3.14 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 10 P 0.00 4.27 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 11 E 8.16 4.11 0.00 2.11 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 2.27 2.34 0.00 12 K 7.99 4.32 0.00 1.90 1.86 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.74 7.81 13 L 7.86 3.95 0.00 1.77 1.76 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.09 3.96 0.00 2.02 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 2.40 2.31 0.00 15 I 7.66 3.71 1.87 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 1.65 1.35 1.03 0.00 0.00 16 V 7.94 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 17 K 8.38 3.88 0.00 1.96 2.00 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 18 K 8.19 3.91 0.00 1.99 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.63 7.81 19 A 8.17 4.07 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 20 L 8.21 4.09 0.00 1.91 2.01 0.92 0.82 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 21 S 8.31 4.09 0.00 3.95 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 22 D 8.38 4.35 0.00 2.83 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 23 A 7.55 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.68 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 0.00 0.00 0.00 25 Y 7.26 4.54 0.00 3.10 2.89 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 26 V 8.04 3.84 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 0.79 0.00 0.00 0.92 0.00 0.00 27 G 8.00 3.82 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 0.00 0.00 0.00 28 M 8.07 4.83 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 29 T 8.82 4.69 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 1.22 0.00 0.00 30 V 8.49 4.96 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 0.82 0.00 0.00 0.94 0.00 0.00 31 S 9.07 4.81 0.00 3.76 3.69 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 32 E 8.79 4.64 0.00 1.85 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 2.29 2.28 0.00 33 V 8.63 4.66 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 0.77 0.00 0.00 0.95 0.00 0.00 34 K 8.68 5.08 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.22 4.48 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 0.00 36 R 8.27 4.99 0.00 1.78 2.00 0.00 3.15 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 37 G 7.86 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 0.00 0.00 0.00 0.00 38 V 8.59 3.62 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 0.94 0.00 0.00 39 Q 8.27 3.91 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.35 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 40 G 7.81 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 41 G 8.07 4.06 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 0.00 0.00 0.00 42 I 8.36 4.22 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 1.12 0.97 0.91 0.00 0.00 43 V 8.18 4.92 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 0.89 0.00 0.00 1.02 0.00 0.00 44 E 8.71 4.53 0.00 1.88 1.82 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 2.29 2.37 0.00 45 R 8.00 4.38 0.00 1.83 1.74 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.00 46 Y 8.46 4.73 0.00 2.90 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 *51 Y 7.44 4.49 0.00 3.14 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 52 I 8.50 4.84 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.95 0.00 0.00 53 V 9.01 4.11 2.18 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 0.92 0.00 0.00 0.95 0.00 0.00 54 D 8.80 4.34 0.00 2.68 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 55 L 7.81 4.94 0.00 1.57 1.60 0.93 0.76 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 56 I 8.51 4.67 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 1.24 1.27 0.92 0.00 0.00 57 P 0.00 4.82 0.00 1.96 2.04 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 58 K 9.22 4.78 0.00 1.62 1.66 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 59 V 8.61 4.79 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 1.04 0.00 0.00 0.93 0.00 0.00 60 K 9.03 4.99 0.00 1.88 1.66 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 I 8.73 4.93 1.86 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 1.23 0.50 0.91 0.00 0.00 62 E 9.39 5.20 0.00 1.84 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 0.00 2.23 2.26 0.00 63 L 8.93 4.90 0.00 1.52 1.49 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.49 4.63 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 0.94 0.00 0.00 65 V 8.80 4.70 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 0.63 0.00 0.00 0.86 0.00 0.00 66 K 8.67 4.33 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.04 3.90 0.00 2.00 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 2.49 0.00 68 E 8.21 4.09 0.00 2.18 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 2.31 2.44 0.00 69 D 8.16 4.75 0.00 2.91 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 70 V 7.55 3.49 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 1.09 0.00 0.00 0.91 0.00 0.00 71 D 8.07 4.33 0.00 2.76 2.70 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 72 N 8.04 4.30 0.00 2.89 3.03 0.00 0.00 6.80 7.71 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 73 V 7.67 3.30 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 0.77 0.00 0.00 -0.05 0.00 0.00 74 I 7.87 3.62 1.97 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 1.45 0.63 0.86 0.00 0.00 75 D 8.16 4.35 0.00 2.86 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 76 I 7.87 3.71 2.00 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 1.57 1.10 0.95 0.00 0.00 77 I 7.81 3.66 1.81 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 1.48 0.71 0.86 0.00 0.00 78 C 8.28 4.07 0.00 2.92 2.95 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 79 E 8.13 3.93 0.00 2.00 2.20 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 2.32 2.35 0.00 80 N 8.01 4.62 0.00 2.89 2.85 0.00 0.00 6.96 7.33 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 81 A 8.02 4.40 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 82 R 7.14 4.29 0.00 1.92 2.04 0.00 3.00 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 83 T 9.61 4.41 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 1.24 0.00 0.00 84 G 8.87 3.95 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 0.00 85 N 7.69 5.00 0.00 2.81 2.71 0.00 0.00 6.92 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 86 P 0.00 4.34 0.00 2.04 2.00 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 87 G 8.82 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 0.00 0.00 0.00 0.00 88 D 7.35 4.33 0.00 2.68 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 89 G 7.34 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 0.00 0.00 0.00 0.00 90 K 8.14 4.58 0.00 1.32 1.09 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.41 7.81 91 I 7.84 4.57 1.71 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 1.20 0.45 0.81 0.00 0.00 92 F 9.07 5.06 0.00 2.90 2.85 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 93 V 8.59 4.85 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 0.81 0.00 0.00 0.93 0.00 0.00 94 I 8.76 4.77 1.89 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 1.29 0.68 0.91 0.00 0.00 95 P 0.00 4.63 0.00 2.07 2.05 0.00 3.71 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 1.96 0.00 96 V 8.11 4.33 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 0.86 0.00 0.00 0.97 0.00 0.00 97 E 9.04 4.29 0.00 2.00 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 2.29 2.32 0.00 98 R 7.52 4.70 0.00 1.74 1.77 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 99 V 8.26 4.52 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 0.99 0.00 0.00 0.94 0.00 0.00 100 V 8.32 4.89 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 0.89 0.00 0.00 0.93 0.00 0.00 101 R 8.90 4.23 0.00 1.93 1.78 0.00 3.35 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 102 V 8.67 3.57 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 0.90 0.00 0.00 0.93 0.00 0.00 103 R 8.13 3.99 0.00 1.81 1.95 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.08 4.41 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 1.25 0.00 0.00 105 K 8.48 3.94 0.00 1.92 1.96 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 106 E 7.87 4.12 0.00 2.07 1.87 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 2.33 2.29 0.00 107 E 7.62 5.71 0.00 1.90 1.90 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 2.19 2.22 0.00 108 G 8.41 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 0.00 109 K 8.58 4.07 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.41 7.81 110 E 8.42 3.93 0.00 2.16 2.02 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 2.41 2.33 0.00 111 A 7.89 4.12 1.43 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 0.00 112 L 7.83 4.62 0.00 1.70 1.70 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.80 4.80 0.00 1.62 1.37 0.92 0.74 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 0.00 114 E 8.82 4.25 0.00 1.98 1.75 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.