NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3445 8.1429 122.7530 54.8257 43.0844 176.5322 3 E 4.1205 8.5838 123.4594 55.4964 30.8132 173.3646 4 C 4.6676 8.2499 120.7862 57.6187 46.0573 172.1957 5 D 4.3845 8.3880 119.4482 53.5273 43.4259 173.4658 6 G 3.7973 8.9504 106.6041 47.6442 0.0000 174.3745 7 K 3.9690 8.8502 130.2387 55.3430 31.8905 172.2923 8 V 3.9720 8.0124 123.8812 61.2491 34.4626 176.0852 *10 I 3.9870 7.4371 118.6545 60.1120 37.3976 177.2751 11 C 4.7768 8.6680 119.3049 57.4913 40.1837 172.0876 12 C 5.2027 8.8034 121.9604 53.4041 44.9560 172.1754 13 K 4.7149 8.3976 122.3805 55.2351 34.0289 175.5769 14 K 4.3727 8.9638 134.2334 54.3140 33.0919 173.3044 15 Q 5.4036 8.5621 127.4589 53.5139 28.6878 171.6031 16 F 5.1045 9.5898 127.8611 55.4201 42.6751 173.5438 17 F 4.6620 7.9816 127.3589 56.2148 41.6996 174.9177 18 V 3.9665 6.2641 123.2291 59.6347 34.6693 174.5638 19 S 4.5319 8.2942 118.4778 57.5428 63.3404 174.9821 20 F 4.4261 8.6934 126.2943 60.2553 38.5923 177.9761 21 K 4.3313 8.1145 120.6313 59.0761 31.8736 177.9278 22 D 4.6331 7.7847 116.9345 55.8451 40.8404 176.7690 23 I 4.2015 7.8115 118.1964 60.6732 38.7898 176.3623 24 G 4.1684 8.3477 108.2594 45.4203 0.0000 173.9668 25 W 5.1205 8.7300 118.2255 56.2912 29.4179 177.1564 26 N 4.7240 8.3877 116.3756 54.5220 37.0720 176.4712 27 D 4.5924 8.0829 119.8231 56.5522 41.6231 177.5846 28 W 4.8185 8.3814 114.0518 57.0418 28.9989 175.2795 29 I 4.4125 7.1017 120.6440 59.7588 37.8734 175.2950 30 I 4.0545 8.5568 127.3235 63.9869 37.5711 176.3771 31 A 4.8209 7.5460 121.3617 49.9703 22.6048 174.1885 32 P 4.8728 0.0000 0.0000 62.3386 32.7103 176.5088 33 S 4.4094 9.0827 114.4439 60.1203 63.0289 174.4901 34 G 3.3900 7.1404 107.6095 45.0428 0.0000 170.3748 35 Y 4.6616 6.2291 116.5037 55.0944 42.1327 173.6795 36 H 4.7513 8.7060 116.0719 54.4780 29.8233 175.0922 37 A 4.4763 8.6430 127.0631 51.0382 20.2507 175.5682 38 N 5.6279 8.9730 120.0453 51.6427 42.1729 173.0859 39 Y 5.1152 8.7436 121.9043 55.2897 41.4086 174.1619 40 C 5.0127 8.9862 121.7830 56.8821 42.5596 173.5343 41 E 4.7822 9.6924 122.1529 53.4705 33.1707 172.0834 42 G 4.9425 8.3914 118.3990 44.7838 0.0000 172.3397 43 E 4.3634 8.0636 116.0614 55.4916 30.6545 177.6845 44 C 5.1269 8.1735 116.1681 54.5359 44.2712 172.4738 45 P 4.5765 0.0000 0.0000 62.8155 31.7034 176.7397 46 S 4.4646 8.3889 115.1478 61.0662 63.6417 175.8042 47 H 4.1399 8.2940 118.8522 58.0043 29.3754 177.0370 48 I 3.1223 8.0907 120.8104 60.6879 32.5201 176.7179 *77 L 4.4924 8.5803 120.2008 54.3424 43.8858 180.2394 78 K 4.6954 7.8068 121.0335 53.3901 35.6509 178.1608 79 S 5.0949 8.5189 120.7746 56.5359 65.5933 171.3599 80 C 4.9362 9.2451 118.3270 57.8362 32.6672 172.7228 81 C 4.9180 8.8029 122.2922 56.9379 39.3099 173.0839 82 V 4.8417 9.5052 120.1526 58.5093 36.2529 173.0918 83 P 4.6941 0.0000 0.0000 64.0357 30.7712 176.1691 84 T 4.4447 9.3008 120.7925 64.0442 70.3283 174.4419 85 K 4.6861 7.7448 122.0519 55.1785 35.6394 174.4500 86 L 5.4617 8.6076 126.3225 53.1210 45.1056 175.4425 87 R 4.7925 8.7633 115.8202 54.1959 33.2514 172.7200 88 P 5.0808 0.0000 0.0000 62.7226 32.8034 175.2673 89 M 4.7879 8.9542 122.6200 53.8079 34.8284 175.0717 90 S 4.8858 8.7909 122.1486 58.9300 64.2182 173.5007 91 M 5.0759 9.3011 122.3053 53.6997 36.9292 174.0674 92 L 5.1928 9.4033 124.2436 53.7222 44.7646 174.6827 93 Y 5.0517 8.2077 124.1057 56.1273 42.1756 172.9048 94 Y 4.9405 9.2329 117.5331 56.8755 39.5635 176.3933 95 D 4.9727 9.6761 124.4249 52.0563 41.5436 176.7884 96 D 4.3448 8.6973 118.0937 56.8952 40.7122 177.1959 97 G 4.0208 8.3652 107.7772 45.8311 0.0000 173.4221 98 Q 3.1805 7.3964 115.6273 56.4857 26.9544 173.3934 99 N 4.9845 8.1417 115.5571 51.7190 41.1273 173.6237 100 I 4.4108 8.5561 127.8188 61.5368 37.8175 175.5354 101 I 4.4778 9.2176 127.7772 59.0956 41.3137 174.5525 102 K 4.9859 8.4905 127.1675 55.4206 34.5242 176.0138 103 K 4.7877 9.1543 129.8669 53.6232 36.7994 171.8547 104 D 4.9868 8.6761 121.4514 53.3591 41.3968 176.4010 105 I 3.9552 8.9540 126.7049 61.0731 37.9924 176.0943 106 Q 4.3383 8.8384 128.4361 55.6544 30.1057 174.7677 107 N 4.2085 8.3090 118.6070 55.0148 36.2593 174.6189 108 M 4.5835 7.9782 115.6955 55.3435 34.9704 177.5607 109 I 4.5400 8.1487 120.6128 59.0334 40.1911 175.2183 110 V 3.9030 8.5858 127.4745 63.2386 31.0940 175.3663 111 E 4.2019 9.1930 130.2360 58.8310 29.9138 176.5040 112 E 4.8782 8.0686 117.3331 54.6557 34.2355 174.7888 113 C 5.3876 8.8658 118.8492 55.4330 41.5068 173.3328 114 G 4.2513 9.2577 108.9104 43.9742 0.0000 169.7859 115 C 5.5215 8.4644 116.6172 55.4207 42.0254 174.7977 116 S 4.3640 8.9536 119.5284 58.5033 61.6389 174.4841 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 L 8.14 4.34 0.00 1.74 1.64 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.58 4.12 0.00 1.88 1.72 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 2.23 1.94 0.00 4 C 8.25 4.67 0.00 3.18 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 5 D 8.39 4.38 0.00 2.44 2.40 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 6 G 8.95 3.80 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 0.00 0.00 0.00 7 K 8.85 3.97 0.00 1.79 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 8 V 8.01 3.97 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 *10 I 7.44 3.99 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 1.30 0.55 0.91 0.00 0.00 11 C 8.67 4.78 0.00 3.05 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 12 C 8.80 5.20 0.00 2.94 3.12 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 13 K 8.40 4.71 0.00 1.75 1.64 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.32 7.81 14 K 8.96 4.37 0.00 1.44 1.69 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.25 7.81 15 Q 8.56 5.40 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.26 1.76 0.00 16 F 9.59 5.10 0.00 3.21 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 17 F 7.98 4.66 0.00 2.67 2.50 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 0.00 0.00 0.00 0.00 18 V 6.26 3.97 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.64 0.00 0.00 19 S 8.29 4.53 0.00 3.93 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 20 F 8.69 4.43 0.00 3.18 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 21 K 8.11 4.33 0.00 1.91 1.87 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.48 7.81 22 D 7.78 4.63 0.00 2.78 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 23 I 7.81 4.20 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 1.40 0.69 0.23 0.00 0.00 24 G 8.35 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.73 5.12 0.00 3.43 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 26 N 8.39 4.72 0.00 3.00 3.36 0.00 0.00 6.18 8.07 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 27 D 8.08 4.59 0.00 2.85 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 28 W 8.38 4.82 0.00 3.74 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.10 4.41 1.32 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.62 0.00 0.00 30 I 8.56 4.05 1.86 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.17 0.86 0.00 0.00 31 A 7.55 4.82 1.22 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 0.00 0.00 32 P 0.00 4.87 0.00 2.38 2.22 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 33 S 9.08 4.41 0.00 4.04 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 34 G 7.14 3.39 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 0.00 35 Y 6.23 4.66 0.00 2.95 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 36 H 8.71 4.75 0.00 3.06 3.50 0.00 5.88 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.64 4.48 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 38 N 8.97 5.63 0.00 2.77 2.73 0.00 0.00 6.66 7.48 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 39 Y 8.74 5.12 0.00 3.03 2.96 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 40 C 8.99 5.01 0.00 2.91 3.08 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 0.00 0.00 0.00 0.00 41 E 9.69 4.78 0.00 1.62 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 2.13 2.10 0.00 42 G 8.39 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.06 4.36 0.00 2.00 1.74 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 2.22 1.90 0.00 44 C 8.17 5.13 0.00 2.89 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 45 P 0.00 4.58 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.65 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 46 S 8.39 4.46 0.00 3.81 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 47 H 8.29 4.14 0.00 3.16 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.09 3.12 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 1.27 0.48 0.91 0.00 0.00 *77 L 8.58 4.49 0.00 1.68 1.64 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.81 4.70 0.00 1.71 1.53 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.00 7.81 79 S 8.52 5.09 0.00 3.35 3.63 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 80 C 9.25 4.94 0.00 2.77 2.79 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 0.00 0.00 0.00 81 C 8.80 4.92 0.00 3.14 3.01 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 82 V 9.51 4.84 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 0.99 0.00 0.00 83 P 0.00 4.69 0.00 2.10 2.11 0.00 3.77 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 2.01 2.04 0.00 84 T 9.30 4.44 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 85 K 7.74 4.69 0.00 1.80 1.60 0.00 1.67 0.00 0.00 2.28 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.48 7.81 86 L 8.61 5.46 0.00 1.54 1.57 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.76 4.79 0.00 1.84 2.10 0.00 2.78 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 88 P 0.00 5.08 0.00 1.99 2.13 0.00 3.64 0.00 0.00 3.60 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 89 M 8.95 4.79 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 90 S 8.79 4.89 0.00 3.84 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 91 M 9.30 5.08 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 92 L 9.40 5.19 0.00 1.63 1.45 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.21 5.05 0.00 3.15 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 94 Y 9.23 4.94 0.00 3.04 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 95 D 9.68 4.97 0.00 2.73 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 96 D 8.70 4.34 0.00 2.65 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 97 G 8.37 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 98 Q 7.40 3.18 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 99 N 8.14 4.98 0.00 2.86 3.00 0.00 0.00 7.08 7.82 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 0.00 100 I 8.56 4.41 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.76 0.69 0.00 0.00 101 I 9.22 4.48 0.83 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 1.12 0.94 0.69 0.00 0.00 102 K 8.49 4.99 0.00 1.62 1.61 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.32 7.81 103 K 9.15 4.79 0.00 1.43 1.57 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.27 7.81 104 D 8.68 4.99 0.00 2.58 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 0.00 105 I 8.95 3.96 1.99 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 1.20 0.85 0.89 0.00 0.00 106 Q 8.84 4.34 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 107 N 8.31 4.21 0.00 2.85 2.83 0.00 0.00 6.84 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 0.00 108 M 7.98 4.58 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 109 I 8.15 4.54 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.98 0.00 0.00 110 V 8.59 3.90 2.29 0.00 0.00 0.00 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 1.03 0.00 0.00 111 E 9.19 4.20 0.00 2.04 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 2.32 2.30 0.00 112 E 8.07 4.88 0.00 1.91 1.76 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 2.28 2.31 0.00 113 C 8.87 5.39 0.00 2.80 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 0.00 114 G 9.26 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 0.00 0.00 0.00 0.00 115 C 8.46 5.52 0.00 2.85 3.01 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 0.00 116 S 8.95 4.36 0.00 3.72 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 * Residues marked with a * may have inaccurate shift predictions.