NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2869 8.3149 119.9965 56.6640 34.7481 176.3631 4 E 4.0159 7.9984 117.6770 54.2906 30.0590 174.1588 5 T 4.6109 8.9219 112.0803 60.0011 72.5025 172.9525 6 Q 4.5669 8.1751 120.6060 53.3965 30.3297 174.4230 7 P 4.4731 0.0000 0.0000 63.0695 32.1261 175.4373 8 I 4.4942 7.7875 118.4891 58.8138 40.9773 174.4334 9 D 4.7811 8.3536 126.0216 51.8819 42.3498 177.3374 10 R 3.9218 8.6226 122.1156 60.5902 29.8867 178.8562 11 E 3.9869 8.0980 117.0452 61.6078 29.8150 181.0447 12 T 4.1313 8.7217 117.5600 66.0524 68.3957 176.8513 13 L 3.9233 8.2042 122.6204 58.1178 42.1208 178.9228 14 L 4.0448 8.1980 121.4791 58.3118 41.5365 180.2033 15 K 3.9326 7.9682 123.5219 60.0082 31.6368 180.6460 16 E 4.1611 8.2436 120.6423 58.6858 29.4890 178.7104 17 A 3.9614 8.3920 121.4422 55.3808 18.5221 179.4707 18 N 4.4248 8.7370 117.7635 56.7192 38.5387 178.5188 19 K 4.0269 8.0975 125.4791 59.8085 31.7533 182.7037 20 I 3.9572 7.7919 121.1669 64.1730 36.9082 178.6162 21 I 3.6616 7.7288 120.6036 64.5337 37.0112 178.6172 22 R 3.9107 8.0579 118.7715 59.2564 29.7829 178.8534 23 E 3.9607 8.2798 118.2263 59.9520 29.5517 179.2313 24 H 4.0674 8.4359 116.0736 58.6784 28.5072 177.4599 25 E 3.9249 8.2245 120.3350 59.3848 29.3466 178.1008 26 D 4.5046 8.0867 118.7633 58.1027 40.8931 179.2148 27 T 3.7969 8.1631 116.0638 66.6308 68.3604 176.7265 28 L 3.9585 8.1313 120.6097 57.5276 41.3270 179.1425 29 A 3.9348 7.5574 120.3074 54.7890 18.3319 178.3106 30 G 4.0799 8.1028 102.1346 45.5160 0.0000 173.5982 31 I 4.2294 7.6413 121.6335 60.2521 38.1259 175.1594 32 E 4.5684 8.3312 124.1562 54.6296 32.5242 174.0980 33 A 4.2746 8.6961 129.7990 52.2128 19.2872 176.8150 34 T 4.5442 8.9166 113.0227 61.6022 70.9182 174.1355 35 G 4.5146 7.9530 108.5440 45.3753 0.0000 172.2133 36 V 4.9038 7.9346 120.0015 60.2687 34.2925 173.4555 37 T 4.6022 8.4950 112.6092 59.9830 72.9183 172.5124 38 Q 4.7318 8.5990 125.4980 55.2942 29.7171 175.7892 39 R 4.1216 8.8325 128.9350 59.6263 30.3464 175.7669 40 N 4.8808 7.9389 112.8309 51.1102 38.8663 177.0948 41 G 3.9913 8.3561 107.7102 45.2236 0.0000 172.3370 42 V 4.4108 7.3645 120.0599 60.7030 33.8408 174.7328 43 L 4.5011 8.5491 128.5977 54.7248 42.6589 176.8952 44 V 4.3363 8.4193 122.3438 61.2275 34.1445 174.4029 45 F 4.7814 8.8903 127.0001 56.7114 39.8978 175.3048 46 T 4.6149 8.7037 112.0286 60.2118 72.3875 173.9992 47 G 4.4853 7.3866 107.6060 45.7051 0.0000 171.7060 48 D 4.1356 8.4571 121.4075 54.1330 41.0389 176.6600 49 Y 4.0144 8.2619 123.5936 57.3958 38.5322 175.4034 50 F 3.9368 7.9032 118.2096 58.4214 37.1196 175.7808 51 L 4.3910 7.8267 118.2649 54.4597 42.5289 177.3035 52 D 4.7608 8.8325 121.6542 52.6879 40.4653 177.0795 53 E 3.9848 8.6315 117.6914 59.1066 29.3986 178.0846 54 Q 4.2394 8.4681 116.2935 55.7808 28.9984 176.5054 55 G 3.9473 8.5014 106.6687 45.4705 0.0000 173.3313 56 L 4.6902 7.7916 118.8761 51.7786 43.5859 174.3905 57 P 4.6579 0.0000 0.0000 63.3572 31.9923 175.7111 58 T 4.6346 9.1590 111.3237 59.1757 71.8911 174.9521 59 A 3.9848 8.7242 124.0439 55.5545 18.7199 179.8520 60 K 3.8919 7.7056 116.2188 59.8782 32.1237 179.0701 61 S 4.6407 8.1255 116.6260 61.2450 62.6651 176.8281 62 T 4.1281 7.9932 118.0684 66.6235 67.9499 176.4176 63 A 3.8980 7.3962 120.6111 54.9289 18.3575 179.6762 64 V 3.2427 7.4627 115.5628 65.9904 31.9338 177.7324 65 F 4.4301 7.9552 117.5092 60.5465 38.6925 177.3923 66 N 4.5861 8.2511 112.3859 55.1584 38.5611 176.0411 *68 F 5.0111 7.9820 119.5302 57.3461 41.3075 177.2777 69 K 4.1377 8.6617 121.4130 59.7528 31.8845 178.2998 70 H 4.1791 8.5986 118.6605 59.2843 29.7970 177.1466 71 L 3.8465 8.0348 119.9873 57.6652 41.4394 179.1254 72 A 4.2777 8.2730 120.6008 55.5632 18.1656 179.0990 73 H 4.0821 8.3814 115.6160 59.4879 30.1525 177.3683 74 V 3.6766 7.9421 119.9973 65.9929 31.4925 178.0452 75 L 4.1871 8.5489 118.8730 57.5844 41.2972 179.4958 76 S 4.3188 8.0366 114.3964 61.1178 62.7822 175.8734 77 E 4.1821 7.8690 120.7368 57.5693 29.3887 177.3199 78 K 4.3390 7.7724 115.3665 56.3579 34.5461 175.5613 79 Y 5.0227 7.8813 116.5485 56.1929 41.3524 174.2897 80 H 5.1028 8.5075 117.3514 53.4189 31.2834 173.0109 81 L 4.1629 9.5447 125.0429 54.7365 42.5513 177.1849 82 V 4.0215 8.2596 118.1935 61.5346 31.9067 175.4844 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 3 K 8.31 4.29 0.00 1.86 2.01 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.53 7.81 4 E 8.00 4.02 0.00 2.06 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 0.00 2.31 2.36 0.00 5 T 8.92 4.61 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 6 Q 8.18 4.57 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 7 P 0.00 4.47 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 8 I 7.79 4.49 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 1.47 0.69 0.91 0.00 0.00 9 D 8.35 4.78 0.00 2.98 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 10 R 8.62 3.92 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 11 E 8.10 3.99 0.00 2.01 1.94 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 2.31 1.97 0.00 12 T 8.72 4.13 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 1.21 0.00 0.00 13 L 8.20 3.92 0.00 1.84 1.84 0.92 0.87 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 14 L 8.20 4.04 0.00 1.80 1.70 0.92 0.83 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 15 K 7.97 3.93 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 16 E 8.24 4.16 0.00 2.05 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 0.00 2.30 2.32 0.00 17 A 8.39 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.74 4.42 0.00 2.79 2.87 0.00 0.00 7.19 7.06 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 19 K 8.10 4.03 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 20 I 7.79 3.96 2.01 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 1.54 0.54 0.88 0.00 0.00 21 I 7.73 3.66 2.00 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 1.49 0.78 0.90 0.00 0.00 22 R 8.06 3.91 0.00 1.96 1.98 0.00 3.30 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 1.84 1.82 0.00 23 E 8.28 3.96 0.00 2.30 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 2.33 2.44 0.00 24 H 8.44 4.07 0.00 3.36 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.22 3.92 0.00 2.04 2.18 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 2.32 2.36 0.00 26 D 8.09 4.50 0.00 2.96 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 27 T 8.16 3.80 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 28 L 8.13 3.96 0.00 1.89 1.72 0.95 0.50 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 29 A 7.56 3.93 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 30 G 8.10 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 0.00 0.00 0.00 0.00 31 I 7.64 4.23 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.84 0.00 0.00 32 E 8.33 4.57 0.00 1.88 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 2.20 2.32 0.00 33 A 8.70 4.27 1.08 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 0.00 0.00 34 T 8.92 4.54 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 1.18 0.00 0.00 35 G 7.95 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.90 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 0.54 0.00 0.00 0.08 0.00 0.00 37 T 8.49 4.60 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 1.15 0.00 0.00 38 Q 8.60 4.73 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.12 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 39 R 8.83 4.12 0.00 1.90 1.82 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 40 N 7.94 4.88 0.00 2.69 2.61 0.00 0.00 6.79 7.51 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 42 V 7.36 4.41 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 1.05 0.00 0.00 0.95 0.00 0.00 43 L 8.55 4.50 0.00 1.62 1.18 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.42 4.34 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 1.03 0.00 0.00 0.95 0.00 0.00 45 F 8.89 4.78 0.00 2.43 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 0.00 0.00 0.00 46 T 8.70 4.61 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 1.29 0.00 0.00 47 G 7.39 4.49 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 0.00 48 D 8.46 4.14 0.00 2.37 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 0.00 0.00 0.00 49 Y 8.26 4.01 0.00 2.96 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 50 F 7.90 3.94 0.00 3.19 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 51 L 7.83 4.39 0.00 1.71 1.66 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.83 4.76 0.00 2.91 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 53 E 8.63 3.98 0.00 2.00 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 0.00 2.34 2.29 0.00 54 Q 8.47 4.24 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 55 G 8.50 3.95 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 0.00 0.00 0.00 56 L 7.79 4.69 0.00 1.91 1.59 0.93 1.07 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 57 P 0.00 4.66 0.00 2.08 2.19 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 58 T 9.16 4.63 4.28 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 1.31 0.00 0.00 59 A 8.72 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 3.89 0.00 1.70 1.82 0.00 1.34 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.07 1.25 7.81 61 S 8.13 4.64 0.00 4.26 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 62 T 7.99 4.13 4.40 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 1.31 0.00 0.00 63 A 7.40 3.90 1.08 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 0.00 0.00 64 V 7.46 3.24 1.81 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 -0.30 0.00 0.00 0.84 0.00 0.00 65 F 7.96 4.43 0.00 3.34 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 66 N 8.25 4.59 0.00 2.87 3.03 0.00 0.00 7.23 7.31 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 *68 F 7.98 5.01 0.00 3.31 3.20 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 69 K 8.66 4.14 0.00 2.11 2.11 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 70 H 8.60 4.18 0.00 3.35 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.03 3.85 0.00 1.50 0.81 0.54 0.70 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 72 A 8.27 4.28 1.63 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 0.00 0.00 73 H 8.38 4.08 0.00 3.22 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.94 3.68 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 0.95 0.00 0.00 0.79 0.00 0.00 75 L 8.55 4.19 0.00 2.07 2.03 0.94 1.16 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 76 S 8.04 4.32 0.00 3.94 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 77 E 7.87 4.18 0.00 1.97 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 2.44 2.36 0.00 78 K 7.77 4.34 0.00 1.34 1.64 0.00 1.31 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.04 0.32 7.81 79 Y 7.88 5.02 0.00 3.11 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 80 H 8.51 5.10 0.00 3.33 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.54 4.16 0.00 1.52 1.68 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.26 4.02 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 0.78 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.