NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9654 8.3549 109.7424 44.7803 0.0000 173.1043 10 I 3.6744 8.1270 120.0245 60.5521 37.6892 174.1204 11 L 4.7506 10.0525 129.7513 53.3612 44.8358 174.8641 12 S 5.2417 8.5975 121.1531 56.6741 66.3129 173.2401 13 L 4.7224 8.8578 124.3208 53.3573 45.4092 174.5521 14 A 5.1694 8.7322 127.6201 50.1652 21.1678 175.0487 15 L 4.5588 8.8263 123.7249 53.2170 42.5079 177.5752 16 K 4.1194 8.9204 123.8751 59.1701 32.6456 176.5484 17 D 4.6014 7.4592 116.7895 51.4152 42.9751 176.1849 18 K 4.0243 8.4908 118.0747 59.1230 31.9480 177.4984 19 P 4.2658 0.0000 0.0000 65.7987 31.3648 178.3507 20 A 4.0665 8.7138 119.6273 55.1146 18.2985 179.4963 21 L 3.9866 8.0162 118.9236 58.3590 41.9664 178.4310 22 Y 4.1017 8.7741 119.4052 61.0715 38.8331 178.2067 23 S 4.3814 8.4604 114.6653 61.2737 63.1646 176.0960 24 A 4.3855 8.0049 123.4635 56.3555 18.5977 177.3627 25 Y 4.2913 8.0382 117.9746 56.5981 39.2684 172.7674 *27 P 3.6715 0.0000 0.0000 62.3862 33.0814 177.8958 28 F 4.1457 7.0406 112.3398 58.1525 38.4930 175.7454 29 V 3.7754 6.2958 123.0907 61.7919 31.9055 175.0287 30 K 4.0475 8.4828 128.1522 58.0946 32.2556 176.9560 31 G 3.9034 8.8318 114.8066 44.6122 0.0000 173.7757 32 G 4.1244 9.8975 106.0509 46.0054 0.0000 172.6563 33 G 3.6219 7.2712 105.6163 45.2154 0.0000 171.8161 34 I 4.8601 8.1270 118.8487 59.4103 41.8653 173.2827 35 F 4.6951 9.1974 131.7043 57.6265 40.4233 174.8666 36 V 4.0208 7.3233 125.6613 60.0191 33.9925 172.8934 37 P 4.5572 0.0000 0.0000 63.0489 31.5252 175.9207 38 T 4.2903 8.5392 115.5042 61.2412 71.1725 171.6389 39 P 4.7210 0.0000 0.0000 62.7506 32.2666 176.2480 40 K 4.1019 7.9282 119.3986 56.6096 32.4093 178.0012 41 R 4.2349 7.9973 121.7544 55.8983 28.7257 176.5696 42 Y 4.3123 7.6502 121.2926 56.5762 40.3647 174.4635 *44 L 4.0369 8.3026 120.1788 56.8932 42.7668 176.8976 45 G 4.0734 9.1537 112.5347 45.3120 0.0000 173.7109 46 D 4.5857 7.7939 119.0930 54.4311 42.0295 175.5563 47 E 4.7909 8.7170 122.8028 56.0891 30.9606 176.1282 48 V 4.5201 8.5620 124.3093 60.0313 35.2722 174.2274 49 F 5.0246 9.0304 126.9535 57.3040 39.9916 173.3594 50 L 5.0652 9.0410 129.1542 53.3005 44.4964 175.0234 51 L 5.0076 9.1487 126.2388 53.1168 44.1446 174.8887 52 L 5.0423 8.7869 127.3371 53.5962 44.3911 175.0127 53 T 4.7927 8.9842 123.5567 61.9937 70.5250 173.9764 54 L 4.9043 8.3278 126.2027 52.4231 43.7470 176.0835 55 P 4.2874 0.0000 0.0000 65.6063 31.2535 176.9501 56 D 4.6460 7.9299 116.5080 54.8106 41.3624 175.9029 57 S 4.6445 7.4696 113.0598 56.7012 65.4844 174.3243 58 S 4.2521 8.5514 120.2939 60.2262 63.2906 174.2949 59 E 4.0376 7.6983 122.7556 56.1267 29.8685 175.6844 60 R 4.6142 8.3770 124.7992 55.0535 31.8529 175.6550 61 L 4.5947 9.0651 124.8520 52.7047 43.1090 174.0424 62 P 5.1365 0.0000 0.0000 62.3788 32.8539 175.8816 63 V 4.3388 9.0489 122.2904 61.2837 35.1549 174.0636 64 A 4.8107 8.7748 130.2105 51.0368 18.7732 176.7402 65 G 4.0699 8.8202 109.9854 45.7728 0.0000 170.0426 66 K 5.1657 8.5489 119.9676 54.1520 35.6322 175.5895 67 V 4.1805 8.8538 128.2716 63.1919 31.8238 175.9983 68 I 4.5531 8.2910 121.8431 60.8349 39.2667 175.0358 69 W 4.9578 7.1906 118.6942 56.2444 30.9468 173.0470 70 T 5.4122 9.0076 110.0302 60.2139 71.4732 173.2773 71 T 5.0321 9.2252 113.5974 59.3904 72.2336 172.1017 72 P 4.8041 0.0000 0.0000 61.7383 32.5918 175.6077 73 A 3.8923 8.2453 121.5372 52.0314 18.7865 176.9399 *80 A 4.1719 8.1925 123.5700 51.3237 19.9643 176.3585 81 A 4.4279 8.4788 121.8661 52.9663 19.2231 177.7475 82 G 4.0687 8.7568 106.5006 47.1148 0.0000 172.0287 83 I 4.7613 7.2169 112.1852 58.8694 41.4794 174.6060 84 G 2.8250 7.1838 111.8048 44.8843 0.0000 172.6121 85 V 4.6569 8.2750 124.8416 60.8672 34.3999 173.9161 86 Q 4.4848 8.9616 129.9449 54.8846 30.3897 174.9679 87 F 5.2386 8.3827 126.0319 56.4434 40.0464 173.9014 88 P 4.4341 0.0000 0.0000 62.7130 31.8240 177.0386 89 D 4.3384 8.7445 120.0472 57.2246 41.9578 177.0841 90 G 3.9809 7.7248 107.7876 44.1173 0.0000 171.4278 91 P 4.2758 0.0000 0.0000 65.8334 29.7224 177.9635 92 E 4.0003 8.2440 117.1429 59.4569 29.3668 179.3858 93 G 4.2311 7.8778 107.5875 46.8175 0.0000 175.4751 94 E 4.0050 8.1984 120.5014 58.8968 29.4303 179.0935 95 A 4.0493 7.7078 120.9795 55.3474 18.4459 179.9419 96 V 3.3400 6.9948 113.8086 65.8167 31.4073 178.1539 97 R 3.9558 7.9267 118.4933 59.6627 30.0065 178.2321 98 N 4.3107 8.9855 117.3850 56.2602 38.5775 177.6169 99 K 3.9455 8.0935 119.8405 59.3977 32.0785 179.4498 100 I 3.5405 7.6663 120.0404 64.4842 37.0007 178.4283 101 E 3.9233 8.3197 119.6055 59.5428 28.9918 179.5950 102 T 3.9000 7.7697 115.2084 66.5850 68.5740 176.4650 103 L 4.1434 7.5855 119.7278 57.7599 41.7628 179.2868 104 L 4.2183 8.0353 117.4723 56.9084 41.6548 177.5395 105 A 4.3301 7.9221 125.0599 52.3821 18.4731 176.8786 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 9 G 8.35 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 0.00 0.00 0.00 10 I 8.13 3.67 1.67 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.08 0.40 0.00 0.00 11 L 10.05 4.75 0.00 1.66 1.37 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.60 5.24 0.00 3.69 3.66 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 13 L 8.86 4.72 0.00 1.64 1.41 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.73 5.17 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 15 L 8.83 4.56 0.00 1.51 1.65 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.92 4.12 0.00 1.77 1.88 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 17 D 7.46 4.60 0.00 2.92 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 K 8.49 4.02 0.00 1.85 1.95 0.00 1.70 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.55 7.81 19 P 0.00 4.27 0.00 2.30 2.14 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 20 A 8.71 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 21 L 8.02 3.99 0.00 1.83 1.92 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.77 4.10 0.00 3.10 3.22 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 0.00 23 S 8.46 4.38 0.00 4.14 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 24 A 8.00 4.39 1.49 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 0.00 0.00 0.00 25 Y 8.04 4.29 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 *27 P 0.00 3.67 0.00 2.18 2.19 0.00 3.34 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 28 F 7.04 4.15 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 29 V 6.30 3.78 1.70 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 0.91 0.00 0.00 0.66 0.00 0.00 30 K 8.48 4.05 0.00 1.77 1.73 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.36 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.46 7.81 31 G 8.83 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 0.00 0.00 0.00 32 G 9.90 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.27 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.86 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.69 0.98 0.00 0.00 35 F 9.20 4.70 0.00 3.21 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 36 V 7.32 4.02 1.67 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 0.72 0.00 0.00 0.73 0.00 0.00 37 P 0.00 4.56 0.00 1.95 2.03 0.00 3.63 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 38 T 8.54 4.29 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 1.25 0.00 0.00 39 P 0.00 4.72 0.00 2.23 2.16 0.00 3.84 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 1.94 1.98 0.00 40 K 7.93 4.10 0.00 1.86 1.46 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.41 7.81 41 R 8.00 4.23 0.00 1.70 1.84 0.00 3.17 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 42 Y 7.65 4.31 0.00 2.95 2.91 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 *44 L 8.30 4.04 0.00 1.69 1.70 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.15 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 46 D 7.79 4.59 0.00 2.72 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 47 E 8.72 4.79 0.00 2.00 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 2.28 2.41 0.00 48 V 8.56 4.52 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 0.57 0.00 0.00 0.51 0.00 0.00 49 F 9.03 5.02 0.00 3.05 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 50 L 9.04 5.07 0.00 1.80 1.69 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.15 5.01 0.00 1.43 1.49 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.79 5.04 0.00 1.74 1.60 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.98 4.79 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 1.24 0.00 0.00 54 L 8.33 4.90 0.00 1.57 1.54 0.85 0.98 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 55 P 0.00 4.29 0.00 2.18 2.38 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 56 D 7.93 4.65 0.00 2.66 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 57 S 7.47 4.64 0.00 3.73 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 58 S 8.55 4.25 0.00 4.01 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 59 E 7.70 4.04 0.00 1.91 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 2.31 2.41 0.00 60 R 8.38 4.61 0.00 1.71 1.81 0.00 3.21 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 61 L 9.07 4.59 0.00 1.47 1.52 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.14 0.00 2.21 2.28 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 V 9.05 4.34 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 0.82 0.00 0.00 64 A 8.77 4.81 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 65 G 8.82 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 66 K 8.55 5.17 0.00 1.81 1.60 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 67 V 8.85 4.18 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 0.93 0.00 0.00 0.89 0.00 0.00 68 I 8.29 4.55 2.04 0.00 0.00 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 1.27 0.77 0.97 0.00 0.00 69 W 7.19 4.96 0.00 3.45 3.19 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 70 T 9.01 5.41 4.36 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 0.00 0.00 0.00 1.29 0.00 0.00 71 T 9.23 5.03 4.41 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 1.55 0.00 0.00 72 P 0.00 4.80 0.00 2.25 2.17 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 73 A 8.25 3.89 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 *80 A 8.19 4.17 1.38 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 0.00 0.00 0.00 81 A 8.48 4.43 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 82 G 8.76 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 83 I 7.22 4.76 1.61 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.72 0.88 0.00 0.00 84 G 7.18 2.82 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 85 V 8.27 4.66 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 0.99 0.00 0.00 0.65 0.00 0.00 86 Q 8.96 4.48 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 87 F 8.38 5.24 0.00 3.21 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 88 P 0.00 4.43 0.00 2.23 2.20 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 89 D 8.74 4.34 0.00 2.68 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 90 G 7.72 3.98 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 0.00 0.00 0.00 91 P 0.00 4.28 0.00 2.26 2.32 0.00 3.71 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 2.06 2.02 0.00 92 E 8.24 4.00 0.00 2.16 2.22 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 2.35 2.37 0.00 93 G 7.88 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 0.00 0.00 0.00 0.00 94 E 8.20 4.00 0.00 2.06 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 2.36 2.55 0.00 95 A 7.71 4.05 1.24 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 96 V 6.99 3.34 1.36 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 0.39 0.00 0.00 0.68 0.00 0.00 97 R 7.93 3.96 0.00 2.18 2.13 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 98 N 8.99 4.31 0.00 2.66 2.83 0.00 0.00 7.10 7.43 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 99 K 8.09 3.95 0.00 1.90 1.78 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 100 I 7.67 3.54 1.62 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 1.36 0.51 -0.09 0.00 0.00 101 E 8.32 3.92 0.00 1.98 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 2.26 2.56 0.00 102 T 7.77 3.90 4.41 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 1.20 0.00 0.00 103 L 7.59 4.14 0.00 1.78 1.72 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.04 4.22 0.00 1.67 1.89 0.97 0.92 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 0.00 105 A 7.92 4.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.