NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2718 8.3049 120.3232 53.7104 34.6909 175.0034 2 D 4.1014 7.9447 117.2033 54.5457 37.7543 171.9438 3 K 4.2685 8.3403 119.2675 54.3430 34.4884 177.2531 4 K 4.3459 8.4033 123.7316 56.5210 32.7431 176.6846 5 K 4.7234 8.5991 116.6732 56.7094 33.2421 177.3453 6 L 4.8702 7.4150 120.7465 54.3008 42.2547 178.5090 7 L 4.0210 9.0616 126.3615 59.5128 41.1244 178.3725 8 Y 4.1001 8.0759 115.6902 60.9152 37.9876 178.3556 9 W 4.1940 8.2277 119.0658 59.8614 29.0864 178.7132 10 V 3.8417 8.1839 118.6681 65.0473 30.5592 178.5962 11 G 3.6819 8.4446 106.5818 47.3160 0.0000 176.0132 12 G 3.7197 8.8982 108.6603 47.4907 0.0000 176.0500 13 G 3.6984 8.0870 107.8167 47.5880 0.0000 175.6987 14 L 4.1140 8.2890 122.1434 57.3665 41.6462 180.0402 15 V 3.6846 8.2181 119.3863 64.9342 31.2682 178.4468 16 L 4.2311 8.2036 120.2127 57.4752 41.5425 179.5761 17 I 3.8455 8.5035 120.0430 64.4644 37.0288 178.5240 18 L 4.2936 8.6375 120.2515 58.0031 41.4269 179.7196 19 I 3.9910 8.2854 119.8138 64.2401 37.0050 178.4905 20 W 4.2467 8.9596 120.1565 59.8091 28.8245 178.5182 21 L 4.1138 8.4868 118.8878 57.6482 41.0320 179.5852 22 W 4.0361 8.6627 118.8101 59.8139 28.8031 178.5017 23 F 4.1239 8.4694 116.3342 60.7265 38.6129 177.5836 24 R 4.1932 8.5426 117.7874 59.3609 29.6662 178.6972 25 N 4.2976 8.2342 115.2397 56.5735 38.6624 177.2390 26 R 4.1010 8.0546 118.1402 58.2341 30.3326 176.5243 27 P 4.7333 0.0000 0.0000 62.8266 32.1888 175.5536 28 A 4.3241 8.3076 121.4214 52.2208 18.7022 176.8127 29 A 4.4856 7.6416 120.2330 51.0134 19.9665 177.8781 30 Q 4.1722 8.5335 122.4545 55.6097 29.6067 178.0303 31 V 4.0545 8.2176 122.4448 61.9759 29.1325 175.1393 32 A 4.4973 7.3884 127.9015 52.3546 21.6593 176.7263 33 S 4.6231 8.7506 111.0490 59.0471 63.4256 175.5353 34 N 4.4277 8.2594 119.0955 55.9202 38.3425 176.0597 35 W 4.1913 8.2488 116.9101 57.9245 30.0922 177.5358 36 E 3.8689 7.8599 115.7197 55.5286 26.9623 175.2292 37 G 4.0270 8.5644 104.9463 47.1171 0.0000 170.5602 38 P 4.2400 0.0000 0.0000 62.2759 32.5653 174.9338 39 P 4.6128 0.0000 0.0000 62.0403 31.1406 175.0302 40 Y 4.2051 8.4690 122.5231 60.6979 37.9498 177.0189 41 M 4.6650 7.4698 117.7903 55.9553 31.3827 176.3374 42 T 4.6264 7.3677 113.2824 63.6688 69.3592 177.0105 43 Y 4.2990 8.0757 121.1390 61.0838 38.1523 177.6376 44 N 4.3323 7.7081 114.6157 55.1501 38.9438 176.2360 45 Q 2.9981 8.0224 117.5864 56.5273 25.4469 171.6838 46 P 4.8035 0.0000 0.0000 61.1228 32.1026 174.4254 47 Q 4.2679 8.6153 123.5123 57.3600 30.5679 176.6549 48 A 4.6584 7.6461 116.7453 52.0671 19.0172 179.2027 49 G 4.1919 8.2586 106.9859 46.0733 0.0000 172.1935 50 S 3.5825 7.8803 116.8016 55.6309 65.5671 171.8368 51 V 3.1668 8.4300 126.9928 61.9664 29.1979 171.2044 52 T 4.7655 7.9559 120.1142 62.2472 72.6635 172.9607 53 L 4.7283 8.0607 120.6451 53.3510 45.5614 174.0208 54 P 4.8713 0.0000 0.0000 62.7662 33.3399 175.1292 55 V 4.5357 7.3994 115.6027 59.2874 34.4513 175.2070 56 A 3.9178 8.5067 123.5169 54.9848 18.5089 178.0029 *94 D 4.4077 7.8160 114.4816 54.1289 42.0335 175.1214 95 S 4.5075 8.5200 118.0957 57.3607 64.3573 173.4783 96 I 4.4241 8.1960 124.0058 60.1008 38.6082 175.5763 97 T 4.2952 8.5375 122.5242 64.8212 69.2235 176.2829 98 S 4.4797 8.0841 114.9806 59.7544 63.8225 174.8969 99 Q 4.5967 7.9240 116.2640 55.3701 31.1231 176.1607 100 L 4.5165 7.9281 117.0546 56.6331 42.5919 178.2105 101 N 4.2542 8.4583 116.1039 56.7089 38.2474 176.5022 102 D 4.3213 7.7302 119.3043 57.6821 40.9576 178.2651 103 Y 4.1451 8.0263 116.1575 61.2971 37.9685 178.7018 104 A 4.0869 8.1956 121.1602 55.2303 18.4521 179.6729 105 S 4.1132 7.9817 113.0915 61.5768 63.0446 176.8892 106 S 4.0507 8.3523 118.0573 61.1121 62.7825 176.5110 107 L 4.1149 8.1194 122.6533 57.5857 41.2969 179.2855 108 N 4.3268 8.2674 116.3535 56.4349 38.4543 177.1392 109 D 4.1827 8.1825 120.4779 57.5780 40.8700 178.6242 110 Y 3.4185 7.5963 118.3763 60.2085 37.7899 178.5734 111 L 3.9516 8.0043 119.6459 57.7836 41.5141 179.4634 112 A 3.9939 8.0459 120.1613 54.9257 18.7212 179.5591 113 S 4.1281 8.0901 112.9686 61.9303 62.8939 176.9569 114 Q 4.1550 8.3105 120.7202 57.6208 28.3703 177.2606 115 A 4.5437 7.7150 120.8167 51.1687 19.1713 177.0067 116 G 4.0271 7.1199 109.1820 45.8106 0.0000 174.6656 *117 V 3.9019 8.3069 117.1141 60.7809 32.3434 175.9834 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 4.27 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 D 7.94 4.10 0.00 2.82 2.66 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 3 K 8.34 4.27 0.00 1.78 1.71 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.35 7.81 4 K 8.40 4.35 0.00 1.96 1.92 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.52 7.81 5 K 8.60 4.72 0.00 1.78 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 L 7.42 4.87 0.00 1.84 1.01 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.06 4.02 0.00 1.44 1.55 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.08 4.10 0.00 3.00 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 9 W 8.23 4.19 0.00 3.51 3.37 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 10 V 8.18 3.84 2.14 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 1.14 0.00 0.00 0.96 0.00 0.00 11 G 8.44 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 12 G 8.90 3.72 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 0.00 0.00 0.00 13 G 8.09 3.70 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 0.00 0.00 0.00 14 L 8.29 4.11 0.00 1.97 1.79 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.22 3.68 2.13 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 0.99 0.00 0.00 0.97 0.00 0.00 16 L 8.20 4.23 0.00 2.07 2.05 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.50 3.85 2.11 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 1.19 0.97 0.00 0.00 18 L 8.64 4.29 0.00 2.04 2.06 1.07 0.91 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 19 I 8.29 3.99 2.18 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 1.55 0.92 1.40 0.00 0.00 20 W 8.96 4.25 0.00 3.59 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 21 L 8.49 4.11 0.00 2.04 1.69 1.23 0.77 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 22 W 8.66 4.04 0.00 3.38 3.10 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 0.00 0.00 0.00 0.00 23 F 8.47 4.12 0.00 2.95 3.11 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 24 R 8.54 4.19 0.00 2.08 2.07 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.14 0.00 25 N 8.23 4.30 0.00 2.77 2.79 0.00 0.00 7.11 8.30 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 26 R 8.05 4.10 0.00 2.00 2.02 0.00 2.91 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 27 P 0.00 4.73 0.00 2.27 2.22 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 28 A 8.31 4.32 1.28 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 0.00 0.00 0.00 0.00 0.00 29 A 7.64 4.49 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 30 Q 8.53 4.17 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.45 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 31 V 8.22 4.05 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 0.72 0.00 0.00 0.95 0.00 0.00 32 A 7.39 4.50 1.25 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 33 S 8.75 4.62 0.00 4.05 4.14 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 34 N 8.26 4.43 0.00 2.68 2.86 0.00 0.00 7.05 7.68 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 35 W 8.25 4.19 0.00 3.32 3.43 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 36 E 7.86 3.87 0.00 2.17 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 0.00 2.20 2.42 0.00 37 G 8.56 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 0.00 0.00 0.00 38 P 0.00 4.24 0.00 2.05 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 39 P 0.00 4.61 0.00 2.18 2.21 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 40 Y 8.47 4.21 0.00 2.98 3.04 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 41 M 7.47 4.67 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 42 T 7.37 4.63 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 1.15 0.00 0.00 43 Y 8.08 4.30 0.00 2.98 3.02 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 44 N 7.71 4.33 0.00 2.71 2.87 0.00 0.00 7.28 7.57 0.00 0.00 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 Q 8.02 3.00 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 46 P 0.00 4.80 0.00 2.11 2.02 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 47 Q 8.62 4.27 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 48 A 7.65 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.26 4.19 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 0.00 50 S 7.88 3.58 0.00 4.02 3.83 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 51 V 8.43 3.17 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 0.70 0.00 0.00 0.93 0.00 0.00 52 T 7.96 4.77 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 1.21 0.00 0.00 53 L 8.06 4.73 0.00 1.54 1.50 0.91 0.92 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 54 P 0.00 4.87 0.00 2.14 2.13 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 55 V 7.40 4.54 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 0.78 0.00 0.00 0.96 0.00 0.00 56 A 8.51 3.92 1.26 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 *94 D 7.82 4.41 0.00 2.69 2.66 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 95 S 8.52 4.51 0.00 3.98 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 96 I 8.20 4.42 1.89 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 1.42 0.67 0.93 0.00 0.00 97 T 8.54 4.30 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 98 S 8.08 4.48 0.00 3.99 3.99 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 0.00 0.00 0.00 99 Q 7.92 4.60 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 100 L 7.93 4.52 0.00 1.80 1.77 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.46 4.25 0.00 2.82 2.92 0.00 0.00 7.17 8.08 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 0.00 102 D 7.73 4.32 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.03 4.15 0.00 3.01 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 0.00 104 A 8.20 4.09 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 0.00 105 S 7.98 4.11 0.00 3.99 4.13 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 0.00 106 S 8.35 4.05 0.00 4.51 4.27 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 0.00 0.00 0.00 0.00 107 L 8.12 4.11 0.00 2.02 1.81 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.27 4.33 0.00 2.94 2.83 0.00 0.00 7.05 7.44 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 0.00 109 D 8.18 4.18 0.00 2.49 2.33 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 0.00 0.00 0.00 0.00 110 Y 7.60 3.42 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.00 3.95 0.00 1.88 1.70 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.05 3.99 1.26 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 0.00 113 S 8.09 4.13 0.00 3.93 3.94 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 0.00 114 Q 8.31 4.16 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.57 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 115 A 7.71 4.54 1.28 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 0.00 0.00 0.00 0.00 0.00 116 G 7.12 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 0.00 0.00 0.00 *117 V 8.31 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.