NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6914 8.3049 120.2773 55.3367 33.7721 174.2371 2 K 4.5985 8.9294 119.4885 53.9018 37.2014 173.5035 3 K 4.8168 9.9334 126.0797 55.1387 34.7775 174.7598 4 I 4.9800 8.8868 128.5412 59.7640 39.4095 174.4016 5 E 5.3645 9.2354 126.5919 54.5669 33.0827 175.2058 6 A 4.7706 8.7797 123.7411 50.5096 22.9808 174.9217 7 I 4.9103 8.6298 124.4612 59.5913 39.2481 175.0445 8 I 4.9129 8.7785 120.5403 58.3985 41.6729 175.0138 9 R 4.0505 8.5963 121.5117 57.0551 30.3987 178.0043 10 S 4.1055 9.0299 119.8173 61.7158 63.0322 175.6739 11 D 4.6259 8.0023 116.5600 54.3501 39.6507 177.1019 12 K 4.3950 7.9235 119.6284 56.3499 32.3090 177.6374 13 L 3.9106 7.6026 122.9265 58.2623 41.9287 178.6638 14 E 3.9224 8.0696 118.6258 59.3367 29.6605 178.0701 15 D 4.3516 8.1071 118.5050 57.4339 40.8076 178.6134 16 L 3.9194 7.9304 120.6552 57.8593 42.0867 178.6110 17 K 3.8246 8.0627 119.4671 59.7766 32.0052 178.5547 18 A 4.0454 8.3207 120.7186 54.6573 18.3340 179.1255 19 A 3.9604 8.1670 119.6298 55.7656 18.4556 180.0065 20 L 4.0815 8.2915 117.4019 57.6188 41.6241 179.7299 21 V 3.5551 8.2064 118.8441 66.2829 31.2062 177.9751 22 Q 3.9768 8.0828 116.2563 59.3068 28.7593 179.1475 23 S 4.3499 8.0190 113.9274 59.2489 62.8242 175.2236 24 G 3.6824 7.6034 109.2075 46.7803 0.0000 174.8074 25 F 4.8095 7.8824 117.4641 56.9221 39.6077 177.1096 26 I 3.7020 7.8630 119.2684 64.4519 37.4262 177.4214 27 K 4.0996 8.2072 117.3502 59.0971 31.7602 178.3933 28 G 3.8635 8.4001 104.3523 44.6952 0.0000 172.2504 29 M 4.8932 7.7747 121.9445 54.4047 33.7578 175.2587 30 T 4.8648 9.0103 122.6690 61.6048 71.9283 173.0137 31 I 5.2041 8.3969 118.5993 59.2423 40.5348 174.4431 32 S 4.8119 9.2375 119.0664 57.0857 67.2245 172.0762 33 Q 5.1400 8.5989 117.7869 54.3732 31.0885 175.6416 34 V 4.5668 8.4478 114.9853 59.6904 36.8593 173.6613 35 L 4.8472 8.4257 123.3335 53.7427 43.6057 175.5670 36 G 4.3029 8.5247 114.3585 44.9100 0.0000 171.2087 37 F 5.8459 8.0053 116.8058 56.3071 42.8885 174.4592 38 G 4.0485 8.6142 110.9489 45.3474 0.0000 172.4253 *55 T 4.2299 7.6332 116.2558 63.3849 70.3058 172.6441 56 L 5.1236 8.6143 125.0086 52.9342 44.1228 175.6847 57 L 4.7593 8.5198 123.6740 52.6872 44.9979 175.5001 58 A 4.6409 8.5866 125.4236 51.1729 19.4630 176.6868 59 K 4.5811 9.0761 122.1652 55.0703 35.9626 175.4465 60 V 4.7210 8.4962 121.5607 61.0885 34.0439 174.1279 61 K 5.0790 9.1555 129.1575 54.6059 34.8478 174.6178 62 V 4.9156 8.9071 127.3453 61.1562 34.4761 173.9871 63 E 5.3145 9.2358 126.3896 54.7002 33.6237 174.6765 64 I 4.9671 8.5256 123.1497 59.7030 42.0616 173.2936 65 V 4.7063 8.4737 129.1273 61.5501 32.5858 174.5727 66 A 4.8495 9.1044 128.9404 49.9834 23.1061 175.0720 67 H 4.4980 8.6396 115.9911 55.4492 29.6421 176.4676 68 D 4.3562 8.9051 121.3529 57.6791 40.6993 178.5818 69 A 4.1128 8.0342 118.9875 53.9115 18.7613 178.1978 70 A 4.3166 7.8875 118.3981 52.7899 19.2181 179.3758 71 V 3.4386 7.4622 117.6676 65.9090 31.6014 177.8163 72 E 3.9128 8.0766 117.7611 59.2843 29.3453 178.7137 73 E 3.8876 8.0662 118.7237 59.4832 29.7137 178.0731 74 M 3.8348 8.0469 118.4041 58.8583 32.1630 178.0736 75 I 3.6344 7.7976 119.6785 64.7615 37.2847 178.5680 76 T 3.8344 7.9240 116.2601 66.9135 68.3287 176.7626 77 T 3.8768 8.4725 117.8922 66.7585 68.5526 176.7567 78 I 3.6871 7.9768 121.7057 64.4932 37.1659 178.6623 79 S 4.0861 8.1419 116.0065 61.8075 62.4550 176.9153 80 Q 3.9731 8.0057 119.1685 58.9303 28.5257 178.4001 81 A 4.1023 7.9835 120.8493 54.4790 18.4698 178.9568 82 V 4.0328 7.5106 115.0736 62.8280 32.6468 176.5913 83 K 4.2600 7.2770 117.4809 57.1371 32.9788 176.9314 84 T 4.5177 8.1970 106.8795 61.0765 70.5613 174.2225 85 G 3.7589 8.1962 110.0683 45.9685 0.0000 173.6765 *90 G 4.0083 7.6093 106.8094 45.8396 0.0000 172.6856 91 K 4.6910 8.5348 117.9277 55.5646 36.5367 175.3033 92 I 4.6260 7.7922 121.0667 59.4853 40.4873 174.6631 93 F 5.0953 9.2035 125.7503 55.6704 41.6917 174.5542 94 V 4.9342 8.5832 123.1367 61.1897 33.3835 174.6487 95 S 4.9703 9.2547 122.0672 55.7328 66.8648 171.5621 96 P 4.7868 0.0000 0.0000 62.6371 32.4728 175.5437 97 V 4.3216 8.0123 120.4231 61.3490 33.2592 175.0369 98 D 4.5083 9.0745 128.4627 57.0716 40.9811 176.0725 99 E 4.6988 7.5069 112.7247 55.4063 31.9407 173.8246 100 I 4.4656 8.1399 119.1776 58.9777 40.5785 174.5998 101 V 4.3262 8.2493 126.2489 60.9567 33.2745 174.8650 102 R 4.2990 8.4776 126.6553 55.3598 30.9259 176.5597 103 I 3.9341 8.3139 122.4655 61.6669 37.1255 175.8380 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 4.69 0.00 1.88 2.05 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 2 K 8.93 4.60 0.00 1.59 1.62 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.59 7.81 3 K 9.93 4.82 0.00 1.79 1.67 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 I 8.89 4.98 1.83 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 1.19 0.49 0.86 0.00 0.00 5 E 9.24 5.36 0.00 2.15 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 2.29 2.36 0.00 6 A 8.78 4.77 1.11 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 0.00 0.00 7 I 8.63 4.91 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.22 0.91 0.00 0.00 8 I 8.78 4.91 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.86 0.00 0.00 9 R 8.60 4.05 0.00 1.77 1.99 0.00 3.13 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 10 S 9.03 4.11 0.00 3.86 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 11 D 8.00 4.63 0.00 2.78 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 12 K 7.92 4.39 0.00 1.91 1.84 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.37 1.74 7.81 13 L 7.60 3.91 0.00 1.72 1.74 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.07 3.92 0.00 2.11 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 2.37 2.46 0.00 15 D 8.11 4.35 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 16 L 7.93 3.92 0.00 1.77 1.79 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.06 3.82 0.00 1.98 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 18 A 8.32 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.17 3.96 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 20 L 8.29 4.08 0.00 1.73 1.83 0.94 1.00 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 21 V 8.21 3.56 2.27 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 1.03 0.00 0.00 0.97 0.00 0.00 22 Q 8.08 3.98 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 23 S 8.02 4.35 0.00 4.21 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 24 G 7.60 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 F 7.88 4.81 0.00 3.14 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 26 I 7.86 3.70 1.90 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 1.65 1.48 0.92 0.00 0.00 27 K 8.21 4.10 0.00 1.79 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 28 G 8.40 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 29 M 7.77 4.89 0.00 2.14 1.99 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 2.55 2.51 0.00 30 T 9.01 4.86 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 31 I 8.40 5.20 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 1.40 0.54 0.91 0.00 0.00 32 S 9.24 4.81 0.00 3.82 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 33 Q 8.60 5.14 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 34 V 8.45 4.57 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 0.69 0.00 0.00 0.92 0.00 0.00 35 L 8.43 4.85 0.00 1.50 1.27 0.87 0.85 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 36 G 8.52 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 37 F 8.01 5.85 0.00 3.03 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 38 G 8.61 4.05 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 0.00 0.00 0.00 *55 T 7.63 4.23 4.46 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 1.27 0.00 0.00 56 L 8.61 5.12 0.00 1.53 1.55 0.93 0.84 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 57 L 8.52 4.76 0.00 1.44 1.47 0.92 1.08 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 58 A 8.59 4.64 1.19 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 0.00 0.00 59 K 9.08 4.58 0.00 1.59 1.68 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.44 7.81 60 V 8.50 4.72 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 0.94 0.00 0.00 0.92 0.00 0.00 61 K 9.16 5.08 0.00 1.82 1.62 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 62 V 8.91 4.92 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 0.91 0.00 0.00 0.92 0.00 0.00 63 E 9.24 5.31 0.00 1.90 1.78 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 2.24 2.24 0.00 64 I 8.53 4.97 1.86 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 1.01 1.56 0.86 0.00 0.00 65 V 8.47 4.71 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 0.80 0.00 0.00 0.93 0.00 0.00 66 A 9.10 4.85 1.05 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 0.00 0.00 67 H 8.64 4.50 0.00 3.31 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.91 4.36 0.00 2.79 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 69 A 8.03 4.11 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 70 A 7.89 4.32 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 71 V 7.46 3.44 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 1.07 0.00 0.00 0.96 0.00 0.00 72 E 8.08 3.91 0.00 2.01 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 2.39 2.31 0.00 73 E 8.07 3.89 0.00 2.05 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 0.00 2.42 2.42 0.00 74 M 8.05 3.83 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 75 I 7.80 3.63 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.88 0.00 0.00 76 T 7.92 3.83 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 T 8.47 3.88 4.37 0.00 0.00 0.00 0.00 0.00 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 78 I 7.98 3.69 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.86 0.00 0.00 79 S 8.14 4.09 0.00 3.90 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 80 Q 8.01 3.97 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 81 A 7.98 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 4.03 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 0.88 0.00 0.00 0.93 0.00 0.00 83 K 7.28 4.26 0.00 1.91 1.94 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.37 7.81 84 T 8.20 4.52 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 1.26 0.00 0.00 85 G 8.20 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 *90 G 7.61 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.53 4.69 0.00 1.47 1.74 0.00 1.44 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 0.73 7.81 92 I 7.79 4.63 1.74 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 1.22 0.52 0.86 0.00 0.00 93 F 9.20 5.10 0.00 2.95 2.83 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 94 V 8.58 4.93 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 0.83 0.00 0.00 0.93 0.00 0.00 95 S 9.25 4.97 0.00 3.83 3.90 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 0.00 0.00 0.00 96 P 0.00 4.79 0.00 2.10 2.09 0.00 3.70 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 1.98 1.96 0.00 97 V 8.01 4.32 2.23 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 0.86 0.00 0.00 0.92 0.00 0.00 98 D 9.07 4.51 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 99 E 7.51 4.70 0.00 2.03 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 2.17 2.27 0.00 100 I 8.14 4.47 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 1.30 0.96 0.90 0.00 0.00 101 V 8.25 4.33 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 0.00 102 R 8.48 4.30 0.00 1.85 1.86 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 103 I 8.31 3.93 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 1.28 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.