NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9307 8.3393 109.7352 45.7157 0.0000 173.3288 7 I 4.3101 8.1875 116.5117 59.9141 38.6573 174.0915 8 A 4.6473 8.3830 125.5068 51.9212 20.2826 177.8311 9 L 5.0942 8.9843 121.5614 53.1463 45.2596 175.5683 10 G 4.5440 9.2443 113.2467 44.7823 0.0000 171.7513 11 M 5.4150 8.8788 121.7404 53.5649 36.9418 174.1948 12 I 5.0628 8.8319 123.0574 59.4445 41.4900 173.8604 13 E 5.2786 9.1569 127.5106 54.6027 32.3744 174.7201 14 T 5.0689 9.1850 115.9185 60.1135 73.1415 173.1892 15 R 4.5839 8.7005 121.7486 58.1095 28.8643 177.0781 16 G 4.0149 9.1931 111.0474 44.8462 0.0000 172.8153 17 L 4.3741 8.4714 119.8237 57.4254 42.1960 179.0121 18 V 3.5976 7.7695 118.1268 65.5475 31.5203 176.1565 19 P 4.3003 0.0000 0.0000 65.7327 30.9324 178.1356 20 A 3.9718 7.4627 120.5991 55.0878 18.2397 179.6861 21 I 3.6628 8.0251 118.5572 64.3180 37.0894 178.2619 22 E 3.9029 8.3078 120.0755 59.1199 29.3976 178.6416 23 A 3.9591 8.3510 120.9398 55.1650 18.4698 179.4115 24 A 3.9050 8.2579 119.5199 55.2583 18.4714 179.3409 25 D 4.2059 8.2573 116.2423 57.5790 41.2552 178.3427 26 A 4.0241 8.3466 121.6327 55.3221 18.4822 179.5342 27 M 4.1557 8.4064 117.8271 58.8819 31.8960 179.0776 28 T 4.1181 7.7532 108.1470 64.2321 69.1965 176.5616 29 K 4.1286 8.0218 120.4270 58.7511 32.1810 178.6628 30 A 4.2032 7.6043 120.3655 53.9297 18.5874 176.6467 31 A 4.3312 6.8661 116.2953 51.4183 22.4824 176.6270 32 E 4.2589 8.4819 120.9635 55.7541 27.8782 175.7126 33 V 4.7373 7.6845 115.8843 58.9841 36.1208 174.2998 34 R 4.5469 8.8973 123.4870 54.4930 32.3998 174.8528 35 L 4.6038 8.5435 128.5300 55.0641 41.8164 176.2463 36 V 4.1854 8.7858 120.8470 62.2908 33.1568 176.3411 37 G 4.1418 7.5395 105.3331 45.3992 0.0000 172.3943 38 R 5.0393 8.3854 120.2677 54.5294 33.0192 174.0435 39 Q 4.5440 9.1383 125.6512 53.9821 31.9135 174.9715 40 F 4.7256 8.7387 123.2895 56.7985 39.2385 175.6883 41 V 3.9126 8.5037 126.5266 63.0200 32.2351 176.8069 42 G 4.0164 8.5603 107.3846 46.4634 0.0000 174.6967 43 G 3.8620 8.5070 109.7990 44.7103 0.0000 174.3000 44 G 4.0315 8.1159 107.1896 45.1182 0.0000 173.2636 45 Y 4.8945 7.7276 118.1673 58.1819 39.2397 175.2446 46 V 4.9613 9.0333 122.5608 61.4410 35.5314 174.1771 47 T 5.1241 8.7380 123.0515 61.8066 72.0000 173.2122 48 V 4.8421 8.9124 119.2300 59.4701 35.0274 174.6263 49 L 5.2285 8.7048 123.9668 53.0570 45.0427 176.0249 50 V 5.0225 8.8493 115.7075 59.6626 36.0314 174.8254 51 R 5.5203 8.4161 121.5242 53.5600 34.3031 175.6764 52 G 3.9048 7.7564 105.7036 46.7098 0.0000 172.1943 53 E 4.5985 8.0971 118.5310 56.1309 30.4714 178.0789 54 T 3.9473 8.7747 118.2977 67.0674 68.4941 176.8295 55 G 3.6524 8.1324 106.4459 47.9059 0.0000 175.1874 56 A 3.9902 7.9365 122.9044 54.9010 18.3714 179.7838 57 V 3.5269 8.1124 117.0087 65.9258 31.6913 177.8691 58 N 4.2545 8.4315 116.3785 56.3845 38.4795 177.1602 59 A 3.9700 7.9549 121.6446 55.0331 18.3978 179.5348 60 A 3.9101 8.1319 119.3367 55.4615 18.4822 180.1362 61 V 3.5407 8.0476 117.0010 65.9924 31.6617 178.4815 62 R 3.8843 7.9435 117.4381 59.1886 30.0652 178.9012 63 A 4.1113 8.1763 120.7147 55.0881 18.3099 179.9809 64 G 3.5318 8.5120 104.4763 47.6308 0.0000 175.7949 65 A 3.9868 8.1771 123.2248 55.2245 18.2519 179.3062 66 D 4.3283 7.7471 115.3269 57.5261 40.8011 178.9146 67 A 4.1553 7.9276 120.8831 55.1888 18.6440 179.2336 68 C 4.2224 8.3243 112.3251 60.1494 29.7891 175.1810 69 E 3.8745 7.7266 122.1006 58.9869 29.1636 177.6173 70 R 4.4625 7.4083 112.5201 55.5057 29.9749 175.5591 71 V 4.3057 7.9052 119.4529 62.2903 34.0725 175.3433 72 G 3.7838 8.5262 115.7737 47.3051 0.0000 174.0522 73 D 4.4958 8.7891 122.8796 54.3928 41.7389 177.9726 74 G 3.7858 8.0444 108.4878 44.7591 0.0000 171.6690 75 L 4.8210 8.2955 121.1303 53.8373 43.6806 176.5921 76 V 4.3421 9.0507 125.4616 64.1974 32.8392 175.6000 77 A 4.8515 7.7089 120.1760 50.3230 22.9250 174.5757 78 A 4.9721 8.4509 121.4438 50.7375 21.9767 175.0630 79 H 4.9292 9.3202 121.6958 54.9566 34.0028 172.1354 80 I 5.0306 7.9751 123.7717 59.4793 40.5559 174.9516 81 I 4.3957 8.4630 126.2640 59.4171 39.4757 176.5564 82 A 3.8651 8.7211 131.2996 54.5531 18.5731 176.3382 83 R 4.3261 7.4824 114.9279 54.7865 30.8644 174.7286 84 V 3.8483 7.9893 117.6272 60.7176 32.5903 176.1448 85 H 4.2388 8.6069 122.0378 55.9697 30.4755 176.3544 86 S 4.0989 8.4019 120.1086 61.8922 62.3268 176.5992 87 E 3.9871 8.5235 121.4887 59.4053 29.2161 179.2988 88 V 3.6510 8.0567 118.1655 65.6155 31.5434 177.6731 89 E 3.9837 7.9811 118.8146 59.6666 29.0601 178.9424 90 N 4.5321 7.9357 115.4807 54.9426 38.6286 175.6505 91 I 4.3205 7.5987 111.8091 60.2565 38.4049 175.1624 92 L 4.5481 7.5223 122.3426 52.5729 42.7506 174.8439 93 P 4.4534 0.0000 0.0000 62.8086 32.0297 176.3912 94 K 4.2185 8.5638 119.1187 57.9030 32.9148 177.1299 95 A 4.6878 7.4906 119.2400 49.6134 22.0983 173.6862 96 P 4.6799 0.0000 0.0000 61.9075 32.7826 175.4008 97 Q 4.4325 8.1369 115.9476 54.2014 31.2440 175.2721 *98 A 4.0943 8.5498 122.1473 52.5833 18.9111 176.3579 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 6 G 8.34 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 7 I 8.19 4.31 1.86 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 1.27 0.86 0.90 0.00 0.00 8 A 8.38 4.65 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 9 L 8.98 5.09 0.00 1.71 1.62 0.95 1.33 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 10 G 9.24 4.54 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 0.00 0.00 0.00 11 M 8.88 5.41 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 12 I 8.83 5.06 1.86 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 1.11 0.71 0.91 0.00 0.00 13 E 9.16 5.28 0.00 1.94 1.71 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 2.15 2.38 0.00 14 T 9.19 5.07 4.36 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 1.22 0.00 0.00 15 R 8.70 4.58 0.00 1.74 1.93 0.00 3.30 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 16 G 9.19 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 0.00 0.00 0.00 17 L 8.47 4.37 0.00 2.00 1.77 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.77 3.60 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 1.05 0.00 0.00 0.96 0.00 0.00 19 P 0.00 4.30 0.00 2.32 2.50 0.00 3.70 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 2.25 2.12 0.00 20 A 7.46 3.97 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 21 I 8.03 3.66 2.00 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 1.41 0.72 0.92 0.00 0.00 22 E 8.31 3.90 0.00 2.10 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 0.00 2.31 2.37 0.00 23 A 8.35 3.96 1.39 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 24 A 8.26 3.90 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 25 D 8.26 4.21 0.00 2.80 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 26 A 8.35 4.02 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 27 M 8.41 4.16 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 28 T 7.75 4.12 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 1.23 0.00 0.00 29 K 8.02 4.13 0.00 1.83 1.91 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 A 7.60 4.20 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 31 A 6.87 4.33 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 32 E 8.48 4.26 0.00 1.94 1.90 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 2.28 2.32 0.00 33 V 7.68 4.74 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 0.74 0.00 0.00 0.97 0.00 0.00 34 R 8.90 4.55 0.00 1.82 1.75 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 35 L 8.54 4.60 0.00 1.67 1.57 0.98 0.94 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 36 V 8.79 4.19 2.24 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 0.69 0.00 0.00 0.96 0.00 0.00 37 G 7.54 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 0.00 0.00 0.00 38 R 8.39 5.04 0.00 1.65 1.63 0.00 2.57 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.38 0.00 39 Q 9.14 4.54 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 40 F 8.74 4.73 0.00 3.08 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 41 V 8.50 3.91 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 0.81 0.00 0.00 1.08 0.00 0.00 42 G 8.56 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 43 G 8.51 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 44 G 8.12 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 45 Y 7.73 4.89 0.00 3.00 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 46 V 9.03 4.96 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 0.71 0.00 0.00 1.09 0.00 0.00 47 T 8.74 5.12 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 1.17 0.00 0.00 48 V 8.91 4.84 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 0.65 0.00 0.00 0.94 0.00 0.00 49 L 8.70 5.23 0.00 1.51 1.50 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.85 5.02 2.12 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 0.72 0.00 0.00 0.96 0.00 0.00 51 R 8.42 5.52 0.00 1.66 1.76 0.00 3.38 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 52 G 7.76 3.90 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 0.00 53 E 8.10 4.60 0.00 2.00 1.87 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 2.39 2.27 0.00 54 T 8.77 3.95 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 1.20 0.00 0.00 55 G 8.13 3.65 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 0.00 0.00 0.00 56 A 7.94 3.99 1.39 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 57 V 8.11 3.53 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 1.10 0.00 0.00 1.00 0.00 0.00 58 N 8.43 4.25 0.00 2.92 2.85 0.00 0.00 6.89 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.95 3.97 1.37 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 0.00 0.00 60 A 8.13 3.91 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.05 3.54 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 1.09 0.00 0.00 0.97 0.00 0.00 62 R 7.94 3.88 0.00 2.17 1.96 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 63 A 8.18 4.11 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 64 G 8.51 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.18 3.99 1.37 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 0.00 0.00 66 D 7.75 4.33 0.00 2.84 2.76 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 0.00 0.00 0.00 67 A 7.93 4.16 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 68 C 8.32 4.22 0.00 3.28 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 69 E 7.73 3.87 0.00 2.21 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 2.34 2.29 0.00 70 R 7.41 4.46 0.00 2.07 2.00 0.00 3.08 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 71 V 7.91 4.31 2.20 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 1.00 0.00 0.00 0.97 0.00 0.00 72 G 8.53 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 0.00 0.00 0.00 73 D 8.79 4.50 0.00 2.85 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 74 G 8.04 3.79 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 0.00 0.00 0.00 75 L 8.30 4.82 0.00 1.60 1.58 1.02 0.83 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 76 V 9.05 4.34 2.19 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 0.83 0.00 0.00 1.16 0.00 0.00 77 A 7.71 4.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.97 1.19 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 79 H 9.32 4.93 0.00 3.20 3.09 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.98 5.03 1.79 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 1.31 0.75 0.87 0.00 0.00 81 I 8.46 4.40 1.86 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 1.18 0.81 0.91 0.00 0.00 82 A 8.72 3.87 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 83 R 7.48 4.33 0.00 1.71 1.80 0.00 3.23 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 84 V 7.99 3.85 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 0.73 0.00 0.00 0.93 0.00 0.00 85 H 8.61 4.24 0.00 3.17 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.40 4.10 0.00 4.05 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 87 E 8.52 3.99 0.00 2.06 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 2.51 2.31 0.00 88 V 8.06 3.65 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 1.04 0.00 0.00 0.95 0.00 0.00 89 E 7.98 3.98 0.00 2.08 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 2.33 2.51 0.00 90 N 7.94 4.53 0.00 2.79 2.89 0.00 0.00 6.90 7.30 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 91 I 7.60 4.32 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 1.41 0.65 0.91 0.00 0.00 92 L 7.52 4.55 0.00 1.79 1.63 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.45 0.00 2.33 2.04 0.00 3.74 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 1.97 1.97 0.00 94 K 8.56 4.22 0.00 1.76 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 95 A 7.49 4.69 1.18 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 0.00 0.00 96 P 0.00 4.68 0.00 2.16 2.04 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.27 0.00 97 Q 8.14 4.43 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 *98 A 8.55 4.09 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 * Residues marked with a * may have inaccurate shift predictions.