NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2972 8.1593 115.2433 60.7763 68.5406 173.3392 2 P 4.2325 0.0000 0.0000 62.8098 31.5716 174.8880 3 Q 4.3865 8.3240 118.2938 56.5896 30.8211 176.1163 4 N 4.9088 7.4748 113.9892 51.3169 40.0881 175.1397 5 I 3.7063 8.2122 118.6744 64.2835 38.3591 177.2879 6 T 4.0415 7.9585 116.2364 66.6190 68.5564 175.4393 7 D 4.4528 8.9496 120.7077 57.2639 41.1246 178.4497 8 L 3.9998 8.0634 117.8796 55.6693 41.2118 178.0801 *10 A 4.3516 7.9327 119.6368 51.3561 20.1451 178.2543 11 E 4.0487 8.1300 114.0521 57.4866 29.8099 176.2825 12 Y 4.6587 7.5649 115.5109 56.1404 40.4800 174.9394 13 H 4.7551 8.6290 118.6358 56.1643 30.1019 174.8317 14 N 4.2917 8.9092 115.3796 54.9782 35.8859 173.9430 15 T 5.3241 7.3031 103.0656 60.2041 72.0319 172.8376 16 Q 4.6148 8.7103 119.1825 55.0988 32.5550 173.2431 17 I 4.5824 8.1789 121.0745 60.8482 38.5893 174.8248 18 H 4.8712 9.2017 124.0516 54.3555 31.3073 173.5540 19 T 4.6466 8.4745 119.5579 62.5005 69.3462 173.6991 20 L 4.0595 8.9466 126.8832 55.6733 42.5658 177.5844 21 N 4.1564 7.7288 114.0762 53.1467 36.2034 172.7791 22 D 4.5354 7.8501 115.1376 53.0588 45.1708 174.7964 23 K 4.9350 8.4526 122.7096 55.6955 33.5752 176.6510 24 I 3.3186 8.1106 121.0063 61.2803 37.5989 176.1975 25 F 4.6035 8.8678 128.8633 60.6427 40.0665 175.6740 26 S 4.4573 7.8393 108.6581 56.7277 66.7877 172.5957 27 Y 4.8589 7.7144 121.5397 56.0901 41.2951 174.4701 28 T 4.6122 8.1362 122.9895 61.5187 72.3010 172.8233 29 E 5.0221 8.5064 122.4613 54.6497 33.2339 174.5464 30 S 4.7896 8.9051 115.9299 56.4127 65.9369 174.0594 31 L 4.5646 8.5163 124.1862 55.1610 41.0485 176.3955 32 A 4.1200 7.9364 123.7777 51.8599 18.8976 177.7669 33 G 3.9783 8.3822 110.8401 46.7958 0.0000 174.3431 34 K 4.1203 8.7995 121.1546 56.6976 30.8276 176.4431 35 R 4.7121 7.9451 117.9214 55.8805 30.8054 176.7445 36 E 5.0563 8.3041 118.7765 54.9314 29.0681 175.9199 37 M 4.9004 8.0158 120.6951 53.6142 35.9189 173.5800 38 A 5.1347 8.4324 118.8848 50.1148 22.7826 175.2449 39 I 5.0553 8.4793 120.8726 59.3801 41.0631 174.7343 40 I 5.0912 9.0294 120.1305 59.2661 40.9307 174.4379 41 T 5.2867 8.5773 112.8337 60.2035 72.5821 172.5291 42 F 5.3113 8.8949 120.6361 55.2774 42.0391 177.1515 43 K 3.5003 9.0037 119.4963 59.2097 32.5342 177.5243 44 N 4.4971 8.2019 115.5600 53.1105 37.3819 175.9287 45 G 3.8429 8.3357 107.9347 45.0980 0.0000 173.9740 46 A 4.0336 8.4449 122.9861 52.4130 19.4359 176.8025 47 T 5.0189 7.7654 117.6842 61.7265 72.0838 173.4591 48 F 5.2932 9.2955 123.3719 55.7715 43.5392 173.6868 49 Q 5.1750 9.2222 118.9833 54.5228 31.7723 174.6133 50 V 4.4928 8.5077 121.2644 61.3400 32.6792 175.3289 51 E 4.4305 8.8471 127.4609 55.6164 30.3323 177.2268 52 V 4.0028 8.1627 121.6591 61.7856 32.3399 174.2027 53 P 4.3143 0.0000 0.0000 63.0037 31.9670 175.9066 54 G 4.1539 8.5194 110.3983 44.3412 0.0000 172.7324 55 S 4.2312 8.5773 112.8715 60.5412 63.2053 175.4960 56 Q 3.9881 7.8281 118.7311 58.7303 28.7488 176.1981 57 H 4.7085 7.8325 116.2511 54.8825 29.6963 175.2783 58 I 4.2321 8.9100 118.0187 59.8485 39.0571 176.5395 59 D 4.4219 8.7359 120.8178 57.7283 40.2847 179.3573 60 S 4.2587 7.9957 112.9757 61.1769 63.3199 175.9860 61 Q 4.1799 8.1750 121.6010 58.0160 28.4399 178.3691 62 K 3.9079 7.9959 120.2192 59.5589 32.1293 179.3664 63 K 4.0197 8.0485 117.8874 59.3659 31.9403 179.1930 64 A 4.0447 7.8694 120.6903 54.9372 18.4767 179.5832 65 I 3.6571 8.0559 118.7462 64.6546 37.1957 178.4420 66 E 3.9963 8.0077 118.9186 59.4130 29.2635 179.3793 67 R 3.8974 8.1790 118.7708 59.6611 30.0407 178.2257 68 M 4.1091 8.3402 118.1399 58.6397 32.2279 178.4061 69 K 4.1179 8.1063 118.3751 59.4181 32.2008 179.0258 70 D 4.3732 8.1834 119.3094 57.7494 40.6839 179.0260 71 T 3.8932 8.3013 116.5456 66.6478 68.3627 176.8153 72 L 4.0690 8.3077 121.2204 57.5860 41.5934 179.4293 73 R 2.9516 7.8557 118.6950 59.3082 29.9852 178.5134 74 I 3.6273 7.7459 118.1012 63.7418 37.9253 177.5864 75 A 3.9768 8.3512 122.2558 55.2318 18.3352 178.9035 76 Y 3.8900 8.2384 118.2461 60.9752 38.6812 178.4927 77 L 3.7870 7.9158 118.6324 57.0082 41.8015 178.5035 78 T 4.1923 7.7098 107.3374 60.7108 69.2821 174.4337 79 E 3.6285 7.6618 119.2694 57.2347 27.4595 174.3522 80 A 4.1620 7.6997 120.5259 51.8315 19.4895 177.8621 81 K 4.4236 8.6740 123.7541 56.3482 33.8843 175.6809 82 V 3.9378 8.7611 128.2028 62.3672 32.4976 175.1727 83 E 4.4668 9.3847 131.3229 56.8530 29.6178 175.6943 84 K 5.0944 8.5564 116.8035 54.4376 37.2675 174.5846 85 L 4.9450 8.5245 122.0811 53.0635 44.9307 175.0537 86 C 4.7886 8.6519 124.3551 58.3967 32.9789 172.7886 87 V 4.7893 8.5425 118.7557 59.1894 36.1678 174.5447 88 W 4.9845 9.3349 123.4728 55.9597 30.2624 176.5938 89 N 4.4744 9.1198 122.3308 52.2445 37.5710 174.9709 90 N 4.9570 8.2655 114.2414 52.8539 37.6479 174.2767 91 K 4.7689 7.7685 116.9021 55.4144 36.1218 175.2649 92 T 4.7584 8.2114 116.5406 61.0766 71.5389 172.5490 93 P 4.4960 0.0000 0.0000 62.4116 32.4183 175.9300 94 H 4.8232 9.0986 117.7366 56.0318 30.2907 173.9658 95 A 5.3201 8.8331 123.0298 50.2959 21.1401 176.4077 96 I 4.2347 9.1071 124.8519 61.5799 37.1504 175.9055 97 A 4.5122 8.7076 128.1223 52.8297 20.9762 176.3265 98 A 4.5427 7.2567 114.2019 51.0529 22.7209 175.2303 99 I 5.0549 8.2116 119.0766 59.1205 41.3860 174.5610 100 S 4.8719 9.0632 122.9231 56.7374 65.9221 172.6028 101 M 5.2192 8.4401 121.3979 53.7194 34.4901 174.7474 102 A 4.4423 8.4777 122.6602 51.9699 23.0162 176.1260 103 N 4.5147 8.7718 116.2259 53.8991 38.6281 174.5890 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 T 8.16 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 2 P 0.00 4.23 0.00 2.30 2.05 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 3 Q 8.32 4.39 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 4 N 7.47 4.91 0.00 2.88 2.86 0.00 0.00 5.90 7.83 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 5 I 8.21 3.71 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.87 0.00 0.00 6 T 7.96 4.04 4.37 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 1.19 0.00 0.00 7 D 8.95 4.45 0.00 2.61 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 8 L 8.06 4.00 0.00 1.84 1.79 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *10 A 7.93 4.35 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 11 E 8.13 4.05 0.00 1.73 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 12 Y 7.56 4.66 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.63 4.76 0.00 3.35 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.91 4.29 0.00 3.22 3.06 0.00 0.00 6.35 7.05 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 15 T 7.30 5.32 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 0.85 0.00 0.00 16 Q 8.71 4.61 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 17 I 8.18 4.58 1.82 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 1.29 0.80 0.85 0.00 0.00 18 H 9.20 4.87 0.00 2.88 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.47 4.65 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 1.17 0.00 0.00 20 L 8.95 4.06 0.00 1.30 1.25 0.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.73 4.16 0.00 2.82 2.80 0.00 0.00 6.48 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 22 D 7.85 4.54 0.00 2.94 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 23 K 8.45 4.93 0.00 1.94 1.96 0.00 1.21 0.00 0.00 0.94 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 I 8.11 3.32 2.05 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 1.02 0.60 0.96 0.00 0.00 25 F 8.87 4.60 0.00 3.10 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 26 S 7.84 4.46 0.00 3.71 3.82 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 0.00 0.00 0.00 27 Y 7.71 4.86 0.00 2.41 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 0.00 0.00 0.00 0.00 28 T 8.14 4.61 4.11 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 1.09 0.00 0.00 29 E 8.51 5.02 0.00 1.85 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 30 S 8.91 4.79 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 4.56 0.00 1.74 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.12 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 33 G 8.38 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 34 K 8.80 4.12 0.00 1.99 2.02 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 R 7.95 4.71 0.00 1.71 1.85 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 36 E 8.30 5.06 0.00 1.97 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 2.38 2.29 0.00 37 M 8.02 4.90 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 38 A 8.43 5.13 1.14 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 39 I 8.48 5.06 1.74 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 1.24 0.73 0.89 0.00 0.00 40 I 9.03 5.09 1.80 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 1.02 0.00 0.00 41 T 8.58 5.29 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 1.21 0.00 0.00 42 F 8.89 5.31 0.00 3.35 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 43 K 9.00 3.50 0.00 1.63 1.89 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.45 7.81 44 N 8.20 4.50 0.00 2.86 2.99 0.00 0.00 6.21 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 45 G 8.34 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.03 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 47 T 7.77 5.02 4.04 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 1.18 0.00 0.00 48 F 9.30 5.29 0.00 3.04 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 49 Q 9.22 5.17 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 50 V 8.51 4.49 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 1.00 0.00 0.00 1.01 0.00 0.00 51 E 8.85 4.43 0.00 1.96 1.91 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 2.50 2.25 0.00 52 V 8.16 4.00 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 0.97 0.00 0.00 1.05 0.00 0.00 53 P 0.00 4.31 0.00 2.08 1.97 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 54 G 8.52 4.15 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 0.00 55 S 8.58 4.23 0.00 3.97 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 56 Q 7.83 3.99 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 57 H 7.83 4.71 0.00 3.27 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.91 4.23 1.90 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 1.56 0.81 0.93 0.00 0.00 59 D 8.74 4.42 0.00 2.72 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 60 S 8.00 4.26 0.00 4.05 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 61 Q 8.17 4.18 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 62 K 8.00 3.91 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 63 K 8.05 4.02 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 A 7.87 4.04 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 65 I 8.06 3.66 2.00 0.00 0.00 0.55 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 1.22 0.90 0.00 0.00 66 E 8.01 4.00 0.00 2.13 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 2.54 2.47 0.00 67 R 8.18 3.90 0.00 1.89 2.12 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.34 4.11 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.11 4.12 0.00 2.08 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.66 7.81 70 D 8.18 4.37 0.00 2.91 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 71 T 8.30 3.89 4.43 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 1.23 0.00 0.00 72 L 8.31 4.07 0.00 1.91 1.94 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.86 2.95 0.00 1.28 1.85 0.00 2.99 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.00 74 I 7.75 3.63 1.83 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 1.43 1.02 0.98 0.00 0.00 75 A 8.35 3.98 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 76 Y 8.24 3.89 0.00 3.14 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 77 L 7.92 3.79 0.00 1.58 1.63 0.88 0.84 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 78 T 7.71 4.19 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 1.22 0.00 0.00 79 E 7.66 3.63 0.00 2.11 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 2.05 2.06 0.00 80 A 7.70 4.16 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 81 K 8.67 4.42 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.48 7.81 82 V 8.76 3.94 2.43 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 0.91 0.00 0.00 1.14 0.00 0.00 83 E 9.38 4.47 0.00 2.07 1.89 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 2.27 2.22 0.00 84 K 8.56 5.09 0.00 1.66 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.52 4.94 0.00 1.11 1.21 0.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.65 4.79 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.79 2.31 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 0.68 0.00 0.00 1.16 0.00 0.00 88 W 9.33 4.98 0.00 3.38 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 89 N 9.12 4.47 0.00 2.56 2.77 0.00 0.00 6.93 8.77 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 90 N 8.27 4.96 0.00 2.87 2.98 0.00 0.00 5.97 7.13 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 91 K 7.77 4.77 0.00 1.86 1.74 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.39 7.81 92 T 8.21 4.76 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 1.20 0.00 0.00 93 P 0.00 4.50 0.00 1.93 1.99 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 H 9.10 4.82 0.00 3.32 3.46 0.00 5.87 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 95 A 8.83 5.32 1.52 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 0.00 0.00 96 I 9.11 4.23 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.91 0.00 0.00 97 A 8.71 4.51 -0.22 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 0.00 0.00 98 A 7.26 4.54 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 99 I 8.21 5.05 1.86 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 1.40 0.98 0.91 0.00 0.00 100 S 9.06 4.87 0.00 3.86 3.87 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 0.00 101 M 8.44 5.22 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.48 4.44 1.13 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 0.00 0.00 103 N 8.77 4.51 0.00 2.90 2.84 0.00 0.00 6.81 7.56 0.00 0.00 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.