NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3345 8.3331 119.6869 56.4223 30.1634 174.9031 3 G 5.1631 7.9817 101.9805 43.8114 0.0000 170.9530 4 L 4.8752 8.0225 126.3258 54.4688 44.6273 174.2726 5 V 4.7499 8.1524 118.4533 60.9857 34.4924 174.5068 6 V 4.5205 8.8823 127.6797 61.3459 33.5310 174.3978 7 T 5.2465 7.9446 116.3809 59.0305 72.9164 173.7628 8 Q 3.5104 8.6942 116.3438 57.0223 25.8379 173.9970 9 L 4.4312 7.1100 114.7194 53.8597 43.7126 176.5193 10 D 4.7029 7.8798 118.5062 53.0492 40.6740 175.7831 11 V 4.2857 8.1610 119.3550 62.7698 33.0219 175.4693 12 Q 5.1202 9.1229 126.5722 53.0923 32.2325 173.4464 13 P 3.9770 0.0000 0.0000 63.4254 31.7610 175.4769 14 G 4.1513 8.7036 110.6067 46.1622 0.0000 174.4088 15 E 4.1888 8.0495 118.3431 56.1951 30.2591 175.0009 16 C 5.1451 8.4511 121.3588 57.6120 34.9183 172.4540 17 V 4.6686 8.9538 126.1926 61.1718 33.6171 174.0969 18 K 5.0155 8.7380 128.0490 54.5743 34.8185 175.3464 19 V 4.7375 9.0675 125.6339 61.1876 33.7956 174.2352 20 K 5.0174 8.7449 128.3199 55.0864 35.0645 176.4066 21 G 3.4125 8.0687 108.7227 46.0445 0.0000 171.2758 22 K 4.9287 7.3201 120.5509 54.3879 35.6960 176.2569 23 I 4.3074 8.9323 128.8684 60.6885 38.3956 175.7053 24 L 4.2922 8.3490 126.8427 54.6087 42.7141 178.3964 25 S 4.2243 8.5187 115.9901 59.1454 62.2483 175.1927 26 D 4.4517 7.7086 118.6825 52.5495 39.5517 175.3789 27 A 4.2941 7.1003 123.5724 53.2807 18.9757 179.0286 28 K 4.1913 9.7328 123.4928 56.8811 32.7643 177.6696 29 G 4.5872 7.4106 107.0543 44.9118 0.0000 170.1101 30 F 5.3166 7.4919 113.8225 55.8225 41.9650 173.4217 31 S 4.8236 9.2731 113.6746 57.1547 67.7722 174.1500 32 V 4.6974 9.0400 122.0716 61.6105 34.0998 173.4988 33 N 5.5314 9.2128 126.1692 51.7661 41.0098 174.8300 34 V 4.9699 8.9296 115.4443 58.8976 36.0096 175.7164 35 G 4.4628 8.2380 111.6081 46.9851 0.0000 174.9315 36 K 4.0837 8.7896 120.6136 58.1937 32.5882 175.8470 37 D 3.8735 7.0377 115.5877 52.0839 41.5489 175.6778 38 S 3.4281 7.7572 112.8205 60.7824 63.0244 175.2571 39 S 4.1545 7.4785 116.3551 59.2990 63.4753 173.2551 40 T 4.8566 7.8003 116.2552 61.7167 71.2964 172.7505 41 L 5.0410 8.6518 127.3812 52.9988 44.0045 177.8293 42 M 4.2145 9.1174 124.3576 58.3727 33.2598 176.3617 43 L 4.5003 7.7074 118.8451 54.3187 45.8247 173.6157 44 H 5.1979 9.2610 127.2982 54.2172 30.3984 170.3995 45 F 4.1544 8.7460 124.2811 57.2540 40.4690 173.0959 46 N 4.7941 8.2154 126.5104 49.0418 39.0668 170.1389 47 P 4.1285 0.0000 0.0000 62.2412 33.0055 175.9964 48 R 4.5715 8.7738 123.3935 54.5811 32.4830 176.4821 49 F 3.9348 9.1033 123.5974 59.3942 39.9269 176.0553 50 D 5.0556 7.8732 117.8395 53.4143 42.3234 172.1389 51 C 4.5224 8.9451 122.8050 58.5349 34.9724 173.7126 52 H 4.2651 9.7484 124.2236 57.0501 25.7878 176.0034 53 G 3.9475 8.3170 106.1022 45.6080 0.0000 173.6041 54 D 4.5135 7.8085 120.9454 53.1194 41.6901 175.4617 55 V 4.4072 8.0433 123.4778 62.2369 33.6841 175.2825 56 N 3.1400 8.6092 124.7877 53.6746 36.3737 173.2961 57 T 4.5433 7.6168 114.5820 61.6791 73.9637 174.4928 58 V 4.0346 8.4180 125.7420 61.5820 33.2550 174.3586 59 V 4.5704 7.7432 127.5088 61.1919 33.9839 173.9589 60 C 4.9110 8.2846 124.6841 57.2018 31.5078 172.4499 61 N 5.0912 7.6979 118.7280 53.1334 42.3023 172.8275 62 S 5.3201 8.7669 116.7801 56.7673 67.0498 172.5211 63 K 4.9680 8.6363 120.2326 55.1754 35.8927 174.2140 64 E 4.6170 8.9106 128.0425 54.8039 33.0517 174.6880 65 D 3.9748 8.9616 126.3527 55.5062 40.1096 174.2761 66 G 3.6913 8.1738 103.4028 45.6245 0.0000 173.8942 67 T 4.4314 7.2287 116.8531 60.9436 70.4580 173.9301 68 W 4.7736 8.5216 126.2685 56.9977 29.9423 177.0788 69 G 4.1586 8.8341 111.4349 45.6482 0.0000 171.7128 70 E 4.4794 8.7877 122.0854 55.3741 30.1965 177.7782 71 E 4.2817 8.9497 126.6150 56.9146 30.7571 176.4012 72 D 4.7505 9.0045 121.7145 52.7121 43.9487 174.2264 73 R 4.7290 8.5798 125.2410 55.2650 31.1603 176.5262 74 K 4.6186 8.6275 123.2322 55.2005 33.5239 176.9223 75 A 4.2129 8.7572 125.6111 54.8878 19.0134 178.3015 76 D 4.8139 8.0403 114.3009 54.1227 42.2959 176.7323 77 F 4.9986 8.3589 123.5030 56.1839 39.2710 173.7292 78 P 4.6061 0.0000 0.0000 62.4751 31.0241 177.0139 79 F 5.1175 7.2467 116.4286 56.7048 41.8134 174.9196 80 Q 5.0312 8.5720 120.5130 54.1918 32.7559 174.6994 81 Q 3.7556 8.4605 120.6217 57.3574 29.1829 176.9144 82 G 3.8786 8.6396 110.2311 45.4932 0.0000 172.5985 83 D 4.7675 7.7212 120.0269 53.0825 42.6369 175.8427 84 K 4.9452 8.6899 123.2435 55.3025 32.8868 176.1938 85 V 4.6951 8.6136 124.3200 59.6651 35.3940 174.0828 86 E 5.1866 8.8734 122.0018 54.6238 31.9384 174.7645 87 I 4.6341 9.1859 128.3710 59.8794 39.7859 174.2467 88 C 5.1962 8.9417 125.2975 58.0395 30.5847 172.9657 89 I 5.2287 8.9401 124.8251 59.5823 40.2738 174.8452 90 S 5.2425 8.8493 120.0364 57.5512 67.1909 172.2854 91 F 5.2945 8.4230 114.1822 57.1232 40.1278 171.9196 92 D 4.3211 8.8335 116.3764 52.3699 41.5991 175.4760 93 A 4.1937 8.6515 120.3740 55.1888 18.8870 178.6061 94 A 4.5602 7.8753 114.8868 54.1233 20.6351 177.0619 95 E 5.1149 9.3059 111.8587 55.8291 33.9470 174.1663 96 V 5.0395 9.3711 119.8932 61.1177 34.3514 174.2669 97 K 5.2323 9.2879 126.9061 54.6163 35.5201 175.2675 98 V 4.6818 9.0689 123.8854 61.1485 34.4262 174.1499 99 K 5.0577 9.3421 127.8501 54.6953 35.1728 175.8644 100 V 4.9821 8.4101 117.2676 58.5156 35.0150 174.8650 101 P 4.2063 0.0000 0.0000 65.8526 31.2324 177.1265 102 E 4.0542 7.7774 116.8642 57.8203 30.5488 176.1251 *104 V 4.1774 7.2446 116.5818 62.6278 33.1989 173.5897 105 E 4.9775 8.2992 125.5774 54.4350 31.5186 174.8580 106 F 5.0739 9.5395 126.0636 56.1025 41.5097 174.7321 107 E 5.4179 8.9388 120.6661 54.8888 33.3374 175.1362 108 F 5.0867 9.1599 124.3624 56.0282 43.3161 171.7895 109 P 4.5530 0.0000 0.0000 62.8511 31.9860 176.9937 110 N 4.7324 9.0664 122.8501 52.5938 37.1458 175.3714 111 R 3.8992 8.0822 121.0314 58.8861 30.3419 178.2609 112 L 4.1079 8.0554 115.6685 55.0205 41.9081 177.7604 113 G 4.1032 8.0356 106.1170 46.3491 0.0000 173.7592 114 M 4.1995 7.6547 119.3307 55.3491 32.5731 175.8631 115 E 4.9154 8.5362 121.3008 55.8607 30.8490 175.4665 116 K 5.0838 7.7092 116.3800 56.5064 35.3885 174.5489 117 I 4.4449 9.0102 123.6631 60.1443 38.8807 176.0473 118 Q 4.8609 9.1807 123.7359 54.6717 31.3314 174.4529 119 Y 5.0919 7.8905 120.3168 55.7320 42.8181 173.5249 120 L 5.1796 8.2540 126.7596 53.5385 46.1339 174.5415 121 A 4.9627 9.3569 127.0313 50.3181 23.1437 174.7225 122 V 4.8853 8.7121 121.8958 61.0710 34.2328 174.4219 123 E 5.0029 9.3108 124.9709 55.5731 33.6739 175.7651 124 G 4.1562 8.8147 105.6229 44.9677 0.0000 173.2503 125 D 4.8428 8.3464 115.5849 53.2777 38.9234 175.8686 126 F 4.9715 7.8137 119.8524 56.1350 43.4467 174.4076 127 K 4.2687 8.0600 127.5694 54.3301 33.5633 175.2761 128 V 3.9944 8.2382 128.3022 62.9652 31.5829 175.3580 129 K 4.5178 8.7084 127.7214 57.0765 34.6363 175.7092 130 A 4.5104 7.3772 117.7868 51.0629 22.4413 175.2865 131 I 4.7997 8.3623 120.4638 59.4897 40.1828 175.1077 132 K 4.5194 8.8853 126.5887 54.3512 35.5979 175.1780 133 F 5.2860 8.5884 120.5341 55.9065 42.0169 175.4899 134 S 4.3441 9.1285 118.5257 58.8647 63.5094 173.9198 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 2 Q 8.33 4.33 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.22 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 3 G 7.98 5.16 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 0.00 0.00 0.00 0.00 4 L 8.02 4.88 0.00 1.77 1.80 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.15 4.75 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 0.68 0.00 0.00 0.95 0.00 0.00 6 V 8.88 4.52 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 1.03 0.00 0.00 0.95 0.00 0.00 7 T 7.94 5.25 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 1.36 0.00 0.00 8 Q 8.69 3.51 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 9 L 7.11 4.43 0.00 1.68 1.67 1.04 0.73 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 10 D 7.88 4.70 0.00 2.63 2.54 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 11 V 8.16 4.29 2.25 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 1.34 0.00 0.00 1.09 0.00 0.00 12 Q 9.12 5.12 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 13 P 0.00 3.98 0.00 1.77 1.50 0.00 3.62 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 14 G 8.70 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 15 E 8.05 4.19 0.00 2.32 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 2.37 2.27 0.00 16 C 8.45 5.15 0.00 2.99 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 17 V 8.95 4.67 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 0.89 0.00 0.00 1.11 0.00 0.00 18 K 8.74 5.02 0.00 1.62 1.64 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.31 7.81 19 V 9.07 4.74 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 1.10 0.00 0.00 0.90 0.00 0.00 20 K 8.74 5.02 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.35 7.81 21 G 8.07 3.41 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 0.00 22 K 7.32 4.93 0.00 1.59 1.35 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.30 7.81 23 I 8.93 4.31 2.00 0.00 0.00 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 1.22 0.95 1.09 0.00 0.00 24 L 8.35 4.29 0.00 1.57 1.55 0.91 1.09 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 25 S 8.52 4.22 0.00 3.82 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 26 D 7.71 4.45 0.00 2.73 2.64 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 0.00 0.00 0.00 27 A 7.10 4.29 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 28 K 9.73 4.19 0.00 2.01 1.89 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.41 7.81 29 G 7.41 4.59 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 0.00 0.00 0.00 30 F 7.49 5.32 0.00 3.27 3.19 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 31 S 9.27 4.82 0.00 3.77 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 32 V 9.04 4.70 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 0.97 0.00 0.00 0.96 0.00 0.00 33 N 9.21 5.53 0.00 2.90 2.90 0.00 0.00 6.49 8.16 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 34 V 8.93 4.97 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 0.72 0.00 0.00 0.93 0.00 0.00 35 G 8.24 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.79 4.08 0.00 1.69 1.81 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.48 7.81 37 D 7.04 3.87 0.00 2.56 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 38 S 7.76 3.43 0.00 3.88 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 39 S 7.48 4.15 0.00 3.73 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 40 T 7.80 4.86 4.13 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 1.16 0.00 0.00 41 L 8.65 5.04 0.00 1.56 1.61 0.97 0.67 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 42 M 9.12 4.21 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 43 L 7.71 4.50 0.00 1.87 1.48 0.56 0.90 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 44 H 9.26 5.20 0.00 3.42 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.75 4.15 0.00 2.97 2.91 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 46 N 8.22 4.79 0.00 2.13 2.27 0.00 0.00 6.80 8.52 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 47 P 0.00 4.13 0.00 1.14 1.20 0.00 2.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 48 R 8.77 4.57 0.00 1.53 1.68 0.00 3.03 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.55 0.00 49 F 9.10 3.93 0.00 3.33 3.13 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 50 D 7.87 5.06 0.00 2.63 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 51 C 8.95 4.52 0.00 3.08 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 52 H 9.75 4.27 0.00 3.24 3.25 0.00 5.80 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 53 G 8.32 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 54 D 7.81 4.51 0.00 2.78 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 4.41 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 0.78 0.00 0.00 0.88 0.00 0.00 56 N 8.61 3.14 0.00 2.45 2.01 0.00 0.00 6.31 6.98 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 57 T 7.62 4.54 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 1.09 0.00 0.00 58 V 8.42 4.03 1.84 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 0.08 0.00 0.00 0.81 0.00 0.00 59 V 7.74 4.57 1.77 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 0.78 0.00 0.00 0.73 0.00 0.00 60 C 8.28 4.91 0.00 2.78 1.72 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 61 N 7.70 5.09 0.00 2.61 2.63 0.00 0.00 6.74 7.63 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 62 S 8.77 5.32 0.00 4.06 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 63 K 8.64 4.97 0.00 1.47 1.36 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.50 7.81 64 E 8.91 4.62 0.00 1.99 1.69 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 2.15 2.20 0.00 65 D 8.96 3.97 0.00 2.86 2.64 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 0.00 0.00 0.00 66 G 8.17 3.69 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 0.00 0.00 0.00 67 T 7.23 4.43 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 1.22 0.00 0.00 68 W 8.52 4.77 0.00 3.13 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 69 G 8.83 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 0.00 0.00 0.00 0.00 70 E 8.79 4.48 0.00 2.02 1.93 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 2.31 2.45 0.00 71 E 8.95 4.28 0.00 1.86 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 2.18 2.23 0.00 72 D 9.00 4.75 0.00 3.07 2.91 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 73 R 8.58 4.73 0.00 1.72 1.81 0.00 3.21 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 74 K 8.63 4.62 0.00 1.68 2.02 0.00 2.00 0.00 0.00 1.86 0.00 0.00 3.27 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.42 1.60 7.81 75 A 8.76 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.81 0.00 2.82 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 77 F 8.36 5.00 0.00 3.03 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 78 P 0.00 4.61 0.00 1.72 1.88 0.00 3.40 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 1.60 1.88 0.00 79 F 7.25 5.12 0.00 2.15 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 80 Q 8.57 5.03 0.00 2.56 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.09 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 81 Q 8.46 3.76 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 82 G 8.64 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 83 D 7.72 4.77 0.00 3.14 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 84 K 8.69 4.95 0.00 1.63 1.76 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 85 V 8.61 4.70 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.17 0.00 0.00 86 E 8.87 5.19 0.00 1.99 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 2.18 2.31 0.00 87 I 9.19 4.63 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.72 0.00 0.00 88 C 8.94 5.20 0.00 2.96 2.82 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 89 I 8.94 5.23 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.95 0.00 0.00 90 S 8.85 5.24 0.00 3.92 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 91 F 8.42 5.29 0.00 3.27 3.17 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 92 D 8.83 4.32 0.00 2.81 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 93 A 8.65 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.88 4.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.31 5.11 0.00 2.21 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 2.24 2.32 0.00 96 V 9.37 5.04 2.30 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 1.11 0.00 0.00 1.09 0.00 0.00 97 K 9.29 5.23 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 98 V 9.07 4.68 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 0.24 0.00 0.00 0.75 0.00 0.00 99 K 9.34 5.06 0.00 1.65 1.63 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.37 7.81 100 V 8.41 4.98 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 1.15 0.00 0.00 1.03 0.00 0.00 101 P 0.00 4.21 0.00 2.15 2.22 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 102 E 7.78 4.05 0.00 2.11 1.93 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 2.20 2.21 0.00 *104 V 7.24 4.18 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 0.63 0.00 0.00 0.75 0.00 0.00 105 E 8.30 4.98 0.00 1.91 1.70 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 2.17 2.29 0.00 106 F 9.54 5.07 0.00 3.09 3.06 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 0.00 0.00 0.00 107 E 8.94 5.42 0.00 1.91 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 2.27 2.33 0.00 108 F 9.16 5.09 0.00 3.16 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 0.00 109 P 0.00 4.55 0.00 1.92 1.90 0.00 2.92 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.65 0.00 110 N 9.07 4.73 0.00 2.83 2.98 0.00 0.00 7.04 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 0.00 111 R 8.08 3.90 0.00 1.86 1.98 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 112 L 8.06 4.11 0.00 1.77 1.71 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.04 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.65 4.20 0.00 2.08 1.96 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 2.61 2.62 0.00 115 E 8.54 4.92 0.00 2.18 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 0.00 2.24 2.25 0.00 116 K 7.71 5.08 0.00 1.98 1.89 0.00 1.59 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.50 7.81 117 I 9.01 4.44 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.16 1.00 0.00 0.00 118 Q 9.18 4.86 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.13 0.00 119 Y 7.89 5.09 0.00 3.09 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 0.00 120 L 8.25 5.18 0.00 1.74 1.35 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.36 4.96 1.06 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 0.00 0.00 0.00 0.00 0.00 122 V 8.71 4.89 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 1.30 0.00 0.00 0.98 0.00 0.00 123 E 9.31 5.00 0.00 2.10 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 2.27 2.33 0.00 124 G 8.81 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 0.00 0.00 0.00 0.00 125 D 8.35 4.84 0.00 2.78 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 0.00 126 F 7.81 4.97 0.00 2.57 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 0.00 127 K 8.06 4.27 0.00 1.63 1.44 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 1.24 7.81 128 V 8.24 3.99 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 0.84 0.00 0.00 1.06 0.00 0.00 129 K 8.71 4.52 0.00 1.59 1.70 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.41 7.81 130 A 7.38 4.51 1.17 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 0.00 0.00 131 I 8.36 4.80 1.78 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 0.69 0.52 0.00 0.00 132 K 8.89 4.52 0.00 1.50 1.59 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.29 7.81 133 F 8.59 5.29 0.00 2.93 2.96 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 0.00 134 S 9.13 4.34 0.00 3.70 3.71 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 * Residues marked with a * may have inaccurate shift predictions.