NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7424 8.3049 120.2788 55.3318 33.6926 174.1190 2 K 4.6989 8.9936 120.0352 53.8548 37.4338 173.4960 3 L 5.0598 9.9020 125.3946 53.5862 45.1023 174.7798 4 I 4.7787 9.1650 128.8491 60.0842 39.0968 174.9526 5 V 4.9083 9.1154 127.7298 61.1176 33.8456 173.9828 6 A 5.1685 9.0546 129.9320 50.1593 22.0912 174.5592 7 I 4.9011 8.8152 123.7453 59.8317 39.4227 175.3676 8 V 5.0341 8.6712 119.9503 59.0122 36.3514 175.7231 9 R 4.3562 8.3727 120.6380 55.5353 30.9778 176.5033 10 P 4.3055 0.0000 0.0000 65.5329 31.1644 178.4995 11 E 4.1959 8.1400 114.1286 57.8958 30.0455 177.8293 12 K 4.3829 7.8791 118.7694 56.1832 32.8779 177.5630 13 L 3.9106 7.5354 121.7588 58.4433 41.9721 178.6092 14 N 4.2514 8.0565 115.6020 56.3794 38.4601 177.1203 15 E 3.9137 8.0371 119.4948 59.1892 29.5378 179.3964 16 V 3.4904 7.8147 118.2420 66.0181 31.6391 178.0627 17 L 3.5275 7.9189 118.8970 57.5162 41.3619 179.6875 18 K 3.6534 7.8110 118.0754 59.3322 31.9664 179.2619 19 A 4.0057 8.0733 121.1473 55.0938 18.1714 179.7330 20 L 4.0453 8.0201 117.6814 58.0117 41.7234 179.7603 21 F 4.6464 8.2901 117.9054 60.7268 38.6301 177.5373 22 Q 4.1540 8.2421 118.0109 58.3820 28.8754 176.9067 23 A 4.4774 7.5443 119.5635 51.5820 18.7728 177.1928 24 E 3.8537 8.0293 116.2858 57.4826 27.6256 174.7752 25 V 3.8689 8.0513 118.8857 62.4842 32.3744 173.9216 26 R 4.1784 8.0460 121.5895 56.7672 32.7392 176.5310 27 G 3.6697 8.3640 109.9168 46.0153 0.0000 172.4229 28 L 4.5845 7.7873 122.1937 55.3571 43.1630 173.3359 29 T 4.9873 8.4875 108.6019 60.1951 72.4501 172.6649 30 L 5.5874 8.5615 120.9609 55.2937 43.6930 174.3474 31 S 4.6663 8.3890 112.9658 57.6901 66.4393 172.9793 32 R 4.9516 8.4457 119.4771 55.4305 31.2758 176.3335 33 V 4.6320 8.8161 115.2875 59.8830 36.7884 174.0565 34 Q 4.9719 8.7134 120.6849 54.4599 30.5794 175.4142 35 G 4.2976 9.3714 110.3496 45.3272 0.0000 170.1419 36 H 4.4526 8.2168 117.6720 55.4434 31.9998 172.6098 *54 E 4.0838 8.5105 110.9158 56.4036 30.4630 175.2172 55 L 4.8434 7.4062 117.4565 53.7070 44.4307 176.3012 56 H 5.0630 8.9545 117.5667 53.7465 32.9720 172.7552 57 E 4.6162 8.8643 122.6043 56.5013 30.3776 175.7861 58 K 4.8532 9.2469 124.4012 54.8868 37.5549 174.9369 59 V 4.6490 8.8523 121.8797 61.2539 34.1183 174.2400 60 R 4.9487 9.3240 128.8786 54.9014 31.7348 174.5737 61 L 5.0627 9.0980 127.3837 53.3158 44.5469 175.4695 62 E 5.0298 9.1729 123.1874 54.6071 32.6647 174.4116 63 I 4.7926 9.1813 128.3153 59.4212 40.6320 174.8708 64 G 4.2424 8.7796 114.8281 45.5408 0.0000 173.1985 65 V 4.8191 8.6657 117.3331 59.4309 36.7088 175.5511 66 S 4.7795 8.6107 117.3929 57.5264 64.4263 174.9216 67 E 4.0078 8.9011 120.4187 59.4468 28.8768 178.0075 68 P 4.3131 0.0000 0.0000 64.6648 31.7373 177.6049 69 F 4.3259 8.2046 115.4445 57.6115 39.2284 177.8206 70 V 3.6413 7.6316 118.8765 66.0634 31.2778 177.8544 71 K 3.9270 7.9845 117.3851 59.1950 32.0172 177.4751 72 P 4.2408 0.0000 0.0000 65.7229 31.3087 178.9290 73 T 3.9391 8.1582 114.6924 66.5705 68.3640 176.9790 74 V 3.5629 7.9810 120.2872 65.9903 31.5891 177.5231 75 E 3.8733 8.5088 119.1282 59.2473 29.4267 178.6121 76 A 3.9959 8.0362 120.6444 55.3241 18.4128 179.7575 77 I 3.6574 7.6878 118.0811 64.4894 36.9660 178.6387 78 L 3.9640 7.8674 118.8780 57.6655 41.4913 179.2840 79 K 4.0628 7.9965 118.3900 59.3951 32.2895 178.5071 80 A 4.1305 7.9089 119.6805 54.3101 18.5464 178.6182 81 A 4.2405 8.1254 117.6317 52.0369 19.5432 177.6820 82 R 4.2223 7.4780 118.3165 56.2746 30.7756 175.9886 83 T 4.4281 9.5958 113.6663 60.6146 70.4565 175.2015 84 G 3.9521 8.8529 109.7139 45.0026 0.0000 173.0708 85 E 4.4690 7.7151 119.2719 54.3767 31.0162 175.8378 86 V 3.5558 8.1403 121.1572 65.1083 30.4288 176.1775 87 G 4.0744 8.9636 114.1125 45.4739 0.0000 174.8882 88 D 4.4020 7.3838 120.3066 55.6184 41.0244 175.5003 89 G 4.2094 7.7379 101.6567 45.0559 0.0000 172.1585 90 K 4.5609 8.1553 115.7046 55.1476 37.1191 175.3152 91 I 4.8049 7.7874 121.3605 59.6221 40.1773 174.9934 92 F 4.8129 9.5950 126.2785 55.6415 41.5343 174.7673 93 V 4.5751 8.6226 123.9207 61.4967 32.5905 174.4669 94 L 4.8172 8.7175 128.9805 52.3372 43.9044 174.8213 95 P 4.6910 0.0000 0.0000 62.6398 32.2684 175.8636 96 V 4.3247 8.0906 122.3004 61.2383 33.4438 175.0181 97 E 4.1081 9.1677 129.2682 58.8320 29.9157 176.3745 98 K 4.7999 7.3599 114.0055 55.8772 35.2311 175.1608 99 V 4.5870 8.5534 120.8080 60.2326 34.8662 173.7961 100 Y 5.1629 8.7390 119.9199 56.2641 41.1025 174.7957 101 R 4.4126 8.7523 123.9955 55.0347 31.1326 177.2249 102 I 3.7074 8.6437 127.8063 64.5423 37.6088 177.4670 103 R 4.0253 8.1866 119.3190 59.3174 29.9483 177.2595 104 T 4.1738 7.9059 104.9304 61.2478 69.6672 175.4825 105 G 3.9641 8.3599 109.8321 46.0604 0.0000 173.2414 106 E 4.3432 7.7990 119.4533 55.7258 30.8039 175.3371 107 E 4.8276 8.6786 123.6874 54.3931 32.3245 174.5793 108 D 5.0138 8.8625 125.6382 52.4795 44.9971 176.0934 109 E 4.1721 8.4560 119.9490 56.6698 30.5437 175.6220 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 M 8.30 4.74 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 2 K 8.99 4.70 0.00 1.65 1.72 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.63 7.81 3 L 9.90 5.06 0.00 1.70 1.52 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.16 4.78 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.95 0.00 0.00 5 V 9.12 4.91 2.30 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 1.07 0.00 0.00 0.98 0.00 0.00 6 A 9.05 5.17 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 7 I 8.82 4.90 1.91 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 1.39 1.10 0.95 0.00 0.00 8 V 8.67 5.03 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 0.72 0.00 0.00 0.98 0.00 0.00 9 R 8.37 4.36 0.00 1.86 2.14 0.00 3.12 0.00 0.00 3.52 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 10 P 0.00 4.31 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 11 E 8.14 4.20 0.00 2.11 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 2.26 2.33 0.00 12 K 7.88 4.38 0.00 1.91 1.83 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.35 1.69 7.81 13 L 7.54 3.91 0.00 1.80 1.75 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.06 4.25 0.00 2.77 2.81 0.00 0.00 7.09 7.66 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 15 E 8.04 3.91 0.00 2.08 1.95 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 2.37 2.33 0.00 16 V 7.81 3.49 2.17 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 1.06 0.00 0.00 0.98 0.00 0.00 17 L 7.92 3.53 0.00 1.48 0.88 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.81 3.65 0.00 1.85 1.78 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.47 7.81 19 A 8.07 4.01 1.34 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 0.00 0.00 0.00 20 L 8.02 4.05 0.00 1.84 1.89 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.29 4.65 0.00 3.11 3.03 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 Q 8.24 4.15 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 23 A 7.54 4.48 1.45 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 0.00 0.00 24 E 8.03 3.85 0.00 2.57 2.28 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 2.32 2.35 0.00 25 V 8.05 3.87 2.36 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 0.81 0.00 0.00 1.12 0.00 0.00 26 R 8.05 4.18 0.00 1.66 1.55 0.00 3.25 0.00 0.00 2.99 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 27 G 8.36 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 0.00 0.00 0.00 0.00 28 L 7.79 4.58 0.00 1.78 1.66 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.49 4.99 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 1.22 0.00 0.00 30 L 8.56 5.59 0.00 1.62 1.66 0.94 0.69 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 31 S 8.39 4.67 0.00 3.89 3.97 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 32 R 8.45 4.95 0.00 1.72 1.90 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 33 V 8.82 4.63 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 0.79 0.00 0.00 1.00 0.00 0.00 34 Q 8.71 4.97 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 35 G 9.37 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 0.00 0.00 0.00 0.00 36 H 8.22 4.45 0.00 3.03 3.16 0.00 5.96 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 E 8.51 4.08 0.00 1.88 1.93 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 2.18 2.29 0.00 55 L 7.41 4.84 0.00 1.59 1.57 0.91 1.09 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 56 H 8.95 5.06 0.00 3.00 3.14 0.00 5.62 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 57 E 8.86 4.62 0.00 2.00 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 2.30 2.51 0.00 58 K 9.25 4.85 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.54 7.81 59 V 8.85 4.65 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 1.03 0.00 0.00 0.94 0.00 0.00 60 R 9.32 4.95 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 61 L 9.10 5.06 0.00 1.66 1.58 1.00 0.61 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 62 E 9.17 5.03 0.00 2.02 1.79 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 2.21 2.28 0.00 63 I 9.18 4.79 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.94 0.00 0.00 64 G 8.78 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 65 V 8.67 4.82 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 0.79 0.00 0.00 1.04 0.00 0.00 66 S 8.61 4.78 0.00 4.09 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 67 E 8.90 4.01 0.00 2.02 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 2.43 2.38 0.00 68 P 0.00 4.31 0.00 2.03 2.04 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 69 F 8.20 4.33 0.00 3.31 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.64 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 1.13 0.00 0.00 1.07 0.00 0.00 71 K 7.98 3.93 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 72 P 0.00 4.24 0.00 2.14 2.04 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 73 T 8.16 3.94 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 74 V 7.98 3.56 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 1.05 0.00 0.00 1.01 0.00 0.00 75 E 8.51 3.87 0.00 2.14 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 2.30 2.37 0.00 76 A 8.04 4.00 1.40 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 0.00 0.00 77 I 7.69 3.66 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.89 0.00 0.00 78 L 7.87 3.96 0.00 1.79 1.71 0.90 0.89 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 79 K 8.00 4.06 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 80 A 7.91 4.13 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 81 A 8.13 4.24 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 82 R 7.48 4.22 0.00 1.87 1.82 0.00 3.16 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 83 T 9.60 4.43 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 1.23 0.00 0.00 84 G 8.85 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 E 7.72 4.47 0.00 2.02 1.84 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 2.26 2.36 0.00 86 V 8.14 3.56 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 0.75 0.00 0.00 0.92 0.00 0.00 87 G 8.96 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 88 D 7.38 4.40 0.00 2.76 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 7.74 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 90 K 8.16 4.56 0.00 1.26 1.15 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.30 1.39 7.81 91 I 7.79 4.80 1.77 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 1.30 0.52 0.89 0.00 0.00 92 F 9.59 4.81 0.00 3.01 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 93 V 8.62 4.58 2.12 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 0.84 0.00 0.00 0.96 0.00 0.00 94 L 8.72 4.82 0.00 1.70 1.56 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.69 0.00 1.94 1.99 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 96 V 8.09 4.32 2.25 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 0.82 0.00 0.00 0.98 0.00 0.00 97 E 9.17 4.11 0.00 1.98 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 0.00 2.29 2.30 0.00 98 K 7.36 4.80 0.00 1.57 1.62 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.45 7.81 99 V 8.55 4.59 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 0.85 0.00 0.00 0.94 0.00 0.00 100 Y 8.74 5.16 0.00 2.79 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 0.00 101 R 8.75 4.41 0.00 1.90 1.82 0.00 3.09 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 102 I 8.64 3.71 1.88 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 1.30 0.67 0.91 0.00 0.00 103 R 8.19 4.03 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.27 7.30 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 7.91 4.17 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 0.00 105 G 8.36 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 0.00 0.00 0.00 106 E 7.80 4.34 0.00 1.93 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 2.33 2.27 0.00 107 E 8.68 4.83 0.00 1.77 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 1.55 1.47 0.00 108 D 8.86 5.01 0.00 2.49 2.44 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 0.00 109 E 8.46 4.17 0.00 1.85 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 0.00 2.18 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.