NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9126 8.3549 109.7412 44.8573 0.0000 173.8895 5 T 4.2202 7.8785 116.4581 60.5962 70.0988 168.2599 6 V 4.4509 8.9151 127.2360 60.6367 34.7861 174.0563 7 W 4.7162 8.8816 126.2631 54.8767 30.9307 175.2774 8 G 4.3086 8.6649 110.4053 43.5926 0.0000 171.2119 9 A 4.8181 8.0371 119.6585 49.7153 22.2006 175.6760 10 L 4.1704 8.4497 120.5506 56.4128 42.1026 178.3394 11 G 3.9271 8.9631 110.5207 45.6559 0.0000 172.8356 12 H 4.7973 7.7306 115.5851 54.0039 31.0161 174.2127 13 G 4.0471 8.1440 110.3883 44.6489 0.0000 172.6217 14 I 4.3224 7.6343 116.5600 59.9432 40.5325 172.9073 15 N 4.7442 8.5547 123.2572 51.3333 40.1325 174.4570 16 L 4.2905 8.1400 123.9659 53.7067 41.8335 175.9949 17 N 4.7669 8.6345 122.1222 52.1938 39.4696 175.1896 18 I 4.0591 8.5624 124.4865 60.1228 37.3660 174.3373 19 P 4.3537 0.0000 0.0000 63.4797 31.8826 176.5496 20 N 4.1412 8.2402 115.2592 53.9911 36.4245 173.9981 21 F 4.8295 7.9499 123.0440 57.4535 42.4675 173.0948 22 Q 4.1381 7.8509 127.9867 53.9650 31.0339 174.1359 23 M 3.9908 7.9661 124.6266 54.8158 32.8334 175.0835 24 T 4.7034 8.0263 114.7847 59.6430 72.1020 173.8748 25 D 4.6114 8.5504 119.3602 55.6632 40.8904 176.8316 26 D 4.6247 7.8234 118.3553 54.3023 41.6543 175.6405 27 I 4.4986 7.2957 112.4969 60.1236 39.3858 175.0328 28 D 4.6703 8.7248 123.5292 56.3306 42.5702 175.4207 29 E 5.8264 7.9745 116.4390 54.5738 33.1536 174.5176 30 V 4.3904 8.7353 124.8151 61.0521 34.6661 173.8187 31 R 5.0261 8.4777 127.6012 54.3031 32.7701 174.1578 32 W 4.8475 9.3708 126.4228 55.0821 31.6824 174.7983 33 E 5.2148 8.8993 122.4406 54.8433 33.9991 175.5586 34 R 4.3769 8.6312 121.0976 55.3176 32.5106 175.3636 35 G 3.8594 8.3158 118.0502 47.1507 0.0000 173.5886 36 S 4.4830 8.7347 119.3120 58.3764 63.6836 173.9110 37 T 4.2506 7.7208 119.6799 62.5939 69.1294 173.5055 38 L 4.6423 8.4071 128.5488 54.3914 42.7847 175.8325 39 V 4.1588 8.4994 126.3197 64.9037 32.6510 175.9242 40 A 4.7337 7.8405 118.8091 51.2104 22.4054 174.9059 41 E 5.2946 8.7027 120.3535 55.0910 33.0336 173.9453 42 F 5.0314 9.3163 128.5477 56.4282 42.9370 174.0146 43 K 4.4269 7.3701 126.2266 55.4964 34.0279 175.4444 44 R 3.8980 8.4934 125.9270 59.1306 29.5822 177.8418 45 K 4.0858 8.4345 120.0152 54.8657 32.9302 174.4848 *48 P 4.2679 0.0000 0.0000 62.2182 32.4601 176.2569 49 F 4.3517 8.5875 122.8489 57.8930 40.0556 174.9214 50 L 4.4586 6.9987 126.2297 52.4850 45.3755 176.1746 51 K 3.7524 8.4853 124.8734 59.3206 32.3290 175.9234 52 S 4.5216 7.5352 110.7244 57.6113 65.0591 175.5235 53 G 3.7020 8.6637 108.1276 47.4725 0.0000 174.3501 54 A 4.0251 7.8610 121.9467 53.5692 19.0946 176.7985 55 F 5.7321 7.8344 112.6467 54.4974 43.6538 174.1662 56 E 4.7595 8.4160 113.1500 55.8191 32.0865 174.4547 57 I 4.7288 8.4922 123.9060 59.8424 39.1627 175.4435 58 L 4.3395 8.8351 129.5287 53.7319 42.4414 177.8404 59 A 4.0809 8.5458 123.1204 54.7309 18.2937 178.1951 60 N 4.6639 8.2259 111.2965 52.5084 37.7261 176.0661 61 G 3.9849 8.3941 108.7878 45.4205 0.0000 174.0365 62 D 4.5387 8.0991 119.8148 54.3415 42.2754 175.0709 63 L 4.7353 8.3621 123.4048 53.5989 43.6106 175.2594 64 K 4.4424 8.8392 128.5620 55.0111 34.0032 174.9191 65 I 4.3145 8.1803 128.7808 59.7297 37.6302 175.6200 66 K 4.0021 8.6078 128.0332 58.8238 32.4820 177.4870 67 N 4.6752 7.6714 118.7619 51.2370 40.4624 173.4618 68 L 4.2612 8.4453 126.7119 54.9160 42.4499 176.7952 69 T 4.7342 8.7012 112.4141 59.1810 71.9114 174.7023 70 R 3.9016 8.6425 121.4321 59.5940 29.9319 177.4113 71 D 4.6582 8.0284 113.9052 54.5014 39.6011 176.2235 72 D 4.8280 8.0281 119.6518 55.1305 41.4626 177.0360 73 S 4.5242 7.4489 113.9997 58.0822 63.9962 174.3830 74 G 3.9616 8.0086 108.4362 44.2719 0.0000 171.6270 75 T 4.9060 7.9948 117.2809 62.6957 69.6387 174.2625 76 Y 4.5769 9.3378 124.9113 56.3076 40.3753 174.4211 77 N 5.4523 8.8406 122.1227 51.7059 40.6086 174.7397 78 V 4.5454 8.8646 123.2062 60.1925 34.3648 174.7456 79 T 4.9900 8.3657 119.3464 61.7126 72.3048 173.2947 80 V 4.3150 8.3027 124.7851 61.1753 34.7596 173.7369 81 Y 5.4111 8.3850 124.2820 56.2724 41.1954 175.7934 82 S 4.5052 9.2289 118.2828 57.4466 64.2776 174.9617 83 T 3.9773 8.5064 115.2062 64.3562 66.8666 173.5633 84 N 4.9192 7.5609 117.4015 52.6740 37.5440 176.1626 85 G 3.8820 8.3229 108.4950 46.9820 0.0000 175.3054 86 T 3.9454 7.8664 116.7185 63.6700 68.9721 173.3003 87 R 5.1229 8.5861 124.5901 55.1403 30.6005 175.6378 88 I 4.3732 7.8985 118.6562 61.0713 38.8629 175.4348 89 L 4.3931 7.4792 123.4787 54.6185 45.5010 173.6230 90 D 5.0360 8.5579 124.6772 53.7152 42.5110 173.7323 91 K 4.7751 8.9766 124.6442 54.1430 35.4572 174.8360 92 A 5.1835 8.5367 124.5870 50.2106 21.5496 175.9727 93 L 4.5827 9.0005 121.8495 52.9676 45.3462 175.7177 94 D 5.1124 8.8754 125.1617 53.2045 41.2105 174.7316 95 L 4.3657 9.5144 129.5161 54.4771 43.2952 175.4290 96 R 4.9945 8.6668 124.9460 54.4030 32.9488 175.2167 97 I 4.3666 8.2977 123.8813 59.2580 39.0321 175.1586 98 L 4.2838 8.4127 127.5625 54.5342 42.9294 176.2215 99 E 4.2902 8.6135 123.2127 56.5504 29.8391 175.8810 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 4 G 8.35 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 0.00 0.00 0.00 5 T 7.88 4.22 4.29 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 0.89 0.00 0.00 6 V 8.92 4.45 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 0.87 0.00 0.00 0.96 0.00 0.00 7 W 8.88 4.72 0.00 3.28 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 8 G 8.66 4.31 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 0.00 9 A 8.04 4.82 1.27 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 0.00 0.00 10 L 8.45 4.17 0.00 1.68 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.96 3.93 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 0.00 0.00 0.00 12 H 7.73 4.80 0.00 3.40 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.14 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 14 I 7.63 4.32 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.86 0.00 0.00 15 N 8.55 4.74 0.00 2.71 2.69 0.00 0.00 6.97 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.14 4.29 0.00 0.93 1.55 0.67 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.63 4.77 0.00 2.78 2.85 0.00 0.00 7.22 7.45 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 18 I 8.56 4.06 2.19 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.55 0.00 0.00 19 P 0.00 4.35 0.00 2.21 2.02 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 20 N 8.24 4.14 0.00 2.94 3.23 0.00 0.00 5.76 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 21 F 7.95 4.83 0.00 2.90 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 22 Q 7.85 4.14 0.00 1.81 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 23 M 7.97 3.99 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 24 T 8.03 4.70 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 1.18 0.00 0.00 25 D 8.55 4.61 0.00 2.69 2.78 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 26 D 7.82 4.62 0.00 2.59 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 27 I 7.30 4.50 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 1.15 0.00 0.00 28 D 8.72 4.67 0.00 2.85 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 29 E 7.97 5.83 0.00 2.01 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 2.19 2.16 0.00 30 V 8.74 4.39 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 0.93 0.00 0.00 1.04 0.00 0.00 31 R 8.48 5.03 0.00 1.94 1.66 0.00 3.30 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.80 0.00 32 W 9.37 4.85 0.00 3.41 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 33 E 8.90 5.21 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 34 R 8.63 4.38 0.00 1.83 1.77 0.00 3.20 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 35 G 8.32 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 36 S 8.73 4.48 0.00 3.98 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 37 T 7.72 4.25 4.42 0.00 0.00 0.00 0.00 0.00 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 38 L 8.41 4.64 0.00 1.59 1.58 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.50 4.16 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 0.75 0.00 0.00 0.96 0.00 0.00 40 A 7.84 4.73 1.29 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 0.00 0.00 41 E 8.70 5.29 0.00 2.00 1.82 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 2.21 2.48 0.00 42 F 9.32 5.03 0.00 3.24 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 43 K 7.37 4.43 0.00 1.63 1.47 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.31 7.81 44 R 8.49 3.90 0.00 1.84 2.11 0.00 3.44 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 45 K 8.43 4.09 0.00 1.95 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *48 P 0.00 4.27 0.00 2.07 2.05 0.00 3.78 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 49 F 8.59 4.35 0.00 2.98 2.97 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 50 L 7.00 4.46 0.00 1.41 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.49 3.75 0.00 1.58 1.63 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 52 S 7.54 4.52 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.66 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 54 A 7.86 4.03 0.87 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 0.00 0.00 0.00 0.00 0.00 55 F 7.83 5.73 0.00 2.81 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 56 E 8.42 4.76 0.00 1.99 2.01 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 2.19 2.23 0.00 57 I 8.49 4.73 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 1.36 1.04 0.93 0.00 0.00 58 L 8.84 4.34 0.00 1.92 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.55 4.08 1.29 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 0.00 0.00 60 N 8.23 4.66 0.00 2.83 2.92 0.00 0.00 6.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.39 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 62 D 8.10 4.54 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.36 4.74 0.00 1.66 1.55 1.00 0.75 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 64 K 8.84 4.44 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 65 I 8.18 4.31 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.71 0.00 0.00 66 K 8.61 4.00 0.00 1.58 1.79 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.31 7.81 67 N 7.67 4.68 0.00 2.53 2.58 0.00 0.00 6.99 7.78 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 68 L 8.45 4.26 0.00 1.65 1.58 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.70 4.73 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 1.19 0.00 0.00 70 R 8.64 3.90 0.00 1.87 2.00 0.00 3.18 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 71 D 8.03 4.66 0.00 2.87 2.80 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 72 D 8.03 4.83 0.00 2.92 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 73 S 7.45 4.52 0.00 4.14 3.92 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 74 G 8.01 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 75 T 7.99 4.91 4.22 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 1.23 0.00 0.00 76 Y 9.34 4.58 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.84 5.45 0.00 2.59 2.73 0.00 0.00 6.93 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 78 V 8.86 4.55 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 0.81 0.00 0.00 0.91 0.00 0.00 79 T 8.37 4.99 4.08 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 0.56 0.00 0.00 80 V 8.30 4.32 1.99 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 0.95 0.00 0.00 0.87 0.00 0.00 81 Y 8.38 5.41 0.00 2.90 2.80 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 82 S 9.23 4.51 0.00 4.00 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 83 T 8.51 3.98 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 1.23 0.00 0.00 84 N 7.56 4.92 0.00 2.94 2.85 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.32 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.87 3.95 4.31 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 1.26 0.00 0.00 87 R 8.59 5.12 0.00 2.21 1.98 0.00 3.26 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 88 I 7.90 4.37 1.87 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 1.09 1.06 0.93 0.00 0.00 89 L 7.48 4.39 0.00 1.67 1.41 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.56 5.04 0.00 2.63 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 91 K 8.98 4.78 0.00 1.77 1.66 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.40 7.81 92 A 8.54 5.18 1.21 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 93 L 9.00 4.58 0.00 1.73 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.88 5.11 0.00 2.70 2.65 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 95 L 9.51 4.37 0.00 1.73 1.87 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.67 4.99 0.00 1.71 1.81 0.00 3.23 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 1.55 1.64 0.00 97 I 8.30 4.37 1.89 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 1.34 1.01 0.92 0.00 0.00 98 L 8.41 4.28 0.00 1.58 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.61 4.29 0.00 1.96 1.80 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 2.21 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.