NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7412 8.2676 119.2098 53.1913 41.0818 176.2733 14 P 4.1217 0.0000 0.0000 65.7288 31.0087 176.7558 15 L 4.2360 8.7402 119.5583 57.4829 42.0582 180.1970 16 D 4.4499 8.0462 118.7086 57.2559 40.9012 178.6227 17 K 4.0492 8.5265 119.4580 59.1164 32.0103 179.0639 18 W 4.3784 8.4621 128.6384 60.7245 30.6687 177.5158 19 N 4.1613 8.3440 116.6750 56.6042 38.3419 176.4604 20 D 4.5156 8.2608 120.2927 57.5589 40.9127 178.9341 21 I 3.7406 7.8629 120.0450 64.3706 36.9117 178.3871 22 I 3.4488 7.3766 119.2868 64.5806 37.0671 178.2566 23 F 4.0182 8.1642 115.6610 59.2266 38.9387 176.4702 24 H 4.7855 7.9673 113.7380 54.7811 29.9350 174.6949 25 A 4.2396 7.4698 124.0050 51.1598 19.1416 177.8652 26 S 4.2922 8.5854 116.9720 59.3660 64.7919 176.4679 27 K 3.8950 8.5609 128.2052 59.6878 31.4601 179.3079 28 K 4.0215 8.0169 119.9772 59.7336 32.2312 178.7589 29 L 4.0358 7.7198 118.9076 57.6832 41.5212 179.6202 30 S 4.0742 7.9992 114.3299 61.0362 62.8043 176.5641 31 K 3.8254 7.9057 123.1535 59.2110 31.9854 178.7148 32 K 3.8651 7.8268 119.5363 59.3897 32.0134 178.3524 33 E 3.9943 7.9759 119.1496 59.0356 29.6032 178.5391 34 L 4.0409 8.1973 119.4303 57.9662 41.6285 179.3802 35 E 3.9599 8.4844 118.7124 59.1997 29.3016 179.4700 36 R 3.8719 7.9524 118.8595 59.4645 30.1403 178.6010 37 L 4.0260 8.0503 118.8016 57.6418 41.5505 179.1845 38 L 3.9458 8.1695 120.4474 58.2340 41.9899 178.7349 39 E 3.9128 8.4131 119.3251 59.0141 29.4993 178.5080 40 L 3.8966 7.9355 120.4675 57.9752 42.1151 178.4481 41 L 3.8914 8.1271 120.2435 58.3158 41.9938 178.7729 42 A 3.9883 8.1611 120.5064 55.2034 18.2796 179.5591 43 L 3.9552 8.3192 117.7893 58.0255 41.7316 179.8755 44 L 4.0357 8.1412 118.9902 57.7205 41.5464 179.3310 45 E 3.8836 8.4613 118.9015 59.8585 29.4073 179.6554 46 T 3.9146 8.0011 115.6975 66.3326 68.4244 176.6409 47 F 4.1262 8.4483 122.7809 61.4274 39.4875 177.1972 48 I 3.5374 7.8188 119.4004 64.3228 36.7391 178.3991 49 E 3.8567 8.0867 119.3473 59.2937 29.2193 179.1449 50 K 3.8272 8.1390 118.5616 58.6505 32.1460 177.2133 51 E 4.2097 7.4917 116.8373 54.5391 29.9330 174.7475 52 D 4.5528 7.8615 115.3874 55.0975 39.3162 174.4812 53 L 4.6931 8.1607 115.1091 54.8085 42.5969 177.9911 54 E 4.0705 8.1153 121.9533 59.4419 29.4084 178.7292 55 E 4.2889 8.1642 117.2252 59.0683 30.1644 178.3955 56 K 3.8461 8.2068 120.3708 59.4894 31.9832 178.0650 57 F 4.2446 8.2651 120.1829 61.3633 39.3830 176.8334 58 E 3.8563 8.2362 118.2629 59.3818 29.0715 179.4541 59 S 4.0513 8.1508 113.1927 61.5661 63.0042 175.8693 60 F 4.2116 8.0819 124.2805 60.8844 39.1859 176.9966 61 A 3.5265 7.9980 122.9129 55.3141 17.5401 180.3475 62 K 3.8725 7.9491 122.0246 59.6536 31.6223 181.8102 63 A 4.1381 7.4733 119.9032 55.2443 17.9048 179.2586 64 L 3.8239 7.4560 120.5338 58.7483 42.0548 178.9772 65 R 4.0399 7.3653 118.1644 59.5601 29.4032 180.3801 66 I 4.1996 7.4682 113.7417 60.5428 37.6441 176.8717 67 D 4.4192 8.7475 124.1659 54.4363 40.9863 176.9699 68 E 3.9611 8.9825 127.0226 61.5097 29.7460 175.5700 69 E 4.1839 8.2225 119.3820 59.0475 29.4473 179.2256 70 L 3.9539 8.0972 120.0395 58.0706 42.1806 178.7871 71 Q 3.9348 8.0081 118.1085 59.0153 28.6201 178.6957 72 Q 3.9317 8.0345 120.2947 59.1825 29.0931 178.3735 73 K 3.9040 7.9693 120.3913 59.7142 32.2042 178.7256 74 I 3.7473 8.0961 120.3285 64.4168 37.0933 178.3120 75 E 3.9457 8.3000 119.4498 59.3604 29.3071 179.2473 76 S 4.0679 8.2312 113.2946 61.4552 62.3940 176.3026 77 R 3.8910 8.1675 121.3722 59.2152 29.7533 178.4881 78 K 3.8117 8.4139 119.0722 59.7252 32.0041 179.4110 79 T 3.7785 7.7804 109.6779 64.8014 68.6877 176.3080 80 D 4.3081 8.1594 121.7154 57.2177 40.7500 178.9322 81 I 3.6292 7.8611 120.3603 64.1912 36.8562 178.4927 82 V 3.0116 7.3967 118.1440 65.8867 31.3170 177.8635 83 I 3.8514 7.5941 118.2525 64.3966 37.2004 177.6854 84 Q 4.1704 7.9275 120.3392 59.3277 28.8394 178.6734 85 S 4.9317 8.3323 110.8859 59.1567 62.1916 175.1273 *87 A 4.2964 7.8465 124.3207 52.2289 20.1721 179.2680 88 N 4.3647 8.3785 112.2223 56.6057 38.6145 177.4522 89 I 3.9923 7.8424 123.1220 64.9279 37.1183 179.0375 90 L 4.1034 7.8340 121.1019 58.8313 40.9378 180.2442 91 S 4.5003 8.2259 110.8497 59.0780 62.4625 174.0112 92 G 4.2639 7.5865 114.7391 45.9650 0.0000 173.1137 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 13 N 8.27 4.74 0.00 2.83 2.89 0.00 0.00 6.81 6.82 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 14 P 0.00 4.12 0.00 2.39 2.32 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 2.08 2.12 0.00 15 L 8.74 4.24 0.00 1.83 1.89 0.89 1.15 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 16 D 8.05 4.45 0.00 3.00 2.75 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 0.00 0.00 0.00 17 K 8.53 4.05 0.00 2.00 1.94 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.64 7.81 18 W 8.46 4.38 0.00 3.48 3.54 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 19 N 8.34 4.16 0.00 2.90 3.02 0.00 0.00 7.28 8.23 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 20 D 8.26 4.52 0.00 3.03 2.75 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 0.00 0.00 0.00 21 I 7.86 3.74 1.92 0.00 0.00 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 1.81 0.97 0.94 0.00 0.00 22 I 7.38 3.45 1.52 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 1.02 -0.05 0.30 0.00 0.00 23 F 8.16 4.02 0.00 2.99 2.94 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 24 H 7.97 4.79 0.00 3.22 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.47 4.24 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 26 S 8.59 4.29 0.00 4.04 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 27 K 8.56 3.89 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.07 7.81 28 K 8.02 4.02 0.00 1.79 1.82 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 29 L 7.72 4.04 0.00 1.69 1.67 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.00 4.07 0.00 3.82 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 31 K 7.91 3.83 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.40 7.81 32 K 7.83 3.87 0.00 1.84 2.00 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 E 7.98 3.99 0.00 2.17 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 0.00 2.38 2.47 0.00 34 L 8.20 4.04 0.00 1.65 1.68 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.48 3.96 0.00 2.05 2.00 0.00 0.00 0.00 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 2.45 0.00 36 R 7.95 3.87 0.00 2.02 2.14 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 37 L 8.05 4.03 0.00 1.98 1.79 1.22 0.36 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 38 L 8.17 3.95 0.00 1.84 1.86 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.41 3.91 0.00 2.16 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 0.00 2.30 2.31 0.00 40 L 7.94 3.90 0.00 1.93 1.82 0.89 0.58 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 41 L 8.13 3.89 0.00 1.95 1.82 0.94 1.43 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 42 A 8.16 3.99 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 43 L 8.32 3.96 0.00 1.84 1.71 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.14 4.04 0.00 1.78 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.46 3.88 0.00 2.02 1.96 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 2.23 2.49 0.00 46 T 8.00 3.91 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 1.23 0.00 0.00 47 F 8.45 4.13 0.00 3.17 3.21 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 48 I 7.82 3.54 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.45 0.82 0.00 0.00 49 E 8.09 3.86 0.00 2.12 1.95 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 2.43 2.45 0.00 50 K 8.14 3.83 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 51 E 7.49 4.21 0.00 1.30 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 1.89 2.16 0.00 52 D 7.86 4.55 0.00 2.76 2.68 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 53 L 8.16 4.69 0.00 1.67 1.64 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.12 4.07 0.00 2.08 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 2.40 2.42 0.00 55 E 8.16 4.29 0.00 2.19 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 0.00 2.38 2.32 0.00 56 K 8.21 3.85 0.00 1.97 2.05 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.11 7.81 57 F 8.27 4.24 0.00 3.24 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 58 E 8.24 3.86 0.00 2.27 2.00 0.00 0.00 0.00 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 2.64 0.00 59 S 8.15 4.05 0.00 4.00 4.18 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 60 F 8.08 4.21 0.00 3.16 3.23 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 61 A 8.00 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.95 3.87 0.00 1.80 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 A 7.47 4.14 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 64 L 7.46 3.82 0.00 1.62 1.60 0.85 0.73 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 65 R 7.37 4.04 0.00 1.90 1.86 0.00 3.28 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 66 I 7.47 4.20 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 1.30 1.20 0.91 0.00 0.00 67 D 8.75 4.42 0.00 2.58 2.57 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 0.00 0.00 0.00 0.00 68 E 8.98 3.96 0.00 2.01 1.95 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 2.32 1.98 0.00 69 E 8.22 4.18 0.00 2.12 2.03 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 2.40 2.36 0.00 70 L 8.10 3.95 0.00 1.73 1.69 0.88 0.13 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 71 Q 8.01 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 72 Q 8.03 3.93 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 73 K 7.97 3.90 0.00 2.00 1.94 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 74 I 8.10 3.75 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.70 0.91 0.00 0.00 75 E 8.30 3.95 0.00 2.19 1.98 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 2.54 2.45 0.00 76 S 8.23 4.07 0.00 3.88 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 77 R 8.17 3.89 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 78 K 8.41 3.81 0.00 1.88 1.72 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.48 7.81 79 T 7.78 3.78 4.20 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 1.24 0.00 0.00 80 D 8.16 4.31 0.00 2.87 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 81 I 7.86 3.63 1.83 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 1.34 0.68 0.73 0.00 0.00 82 V 7.40 3.01 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 0.88 0.00 0.00 0.20 0.00 0.00 83 I 7.59 3.85 1.99 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 1.41 0.73 0.91 0.00 0.00 84 Q 7.93 4.17 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 85 S 8.33 4.93 0.00 4.22 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 *87 A 7.85 4.30 1.42 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 0.00 0.00 0.00 88 N 8.38 4.36 0.00 2.95 2.93 0.00 0.00 7.14 8.20 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 89 I 7.84 3.99 1.90 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 1.36 0.68 0.91 0.00 0.00 90 L 7.83 4.10 0.00 1.74 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.23 4.50 0.00 3.88 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 0.00 92 G 7.59 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.