NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 G 3.9291 8.3393 109.7355 44.8511 0.0000 173.6805 -6 R 3.9548 8.2214 116.8948 54.8564 29.8784 174.9455 -5 D 4.5979 8.1462 119.3923 53.2162 42.9231 175.9794 -4 P 4.5124 0.0000 0.0000 62.4007 32.1717 177.2421 -3 N 4.6159 8.5874 116.6573 56.0035 38.8073 176.9210 -2 S 4.2080 8.0638 113.5022 60.6507 62.7998 175.1383 -1 L 4.2236 7.8720 121.2278 56.2077 42.2010 177.5915 -6 M 4.0948 8.2714 115.9947 54.2564 31.8784 174.9455 -5 T 4.3079 7.9562 112.5923 60.8162 71.6231 174.3794 -4 N 4.8324 8.3753 117.9902 52.2007 38.9717 175.1421 -3 R 4.2159 8.4174 118.4573 58.9035 30.8073 178.0210 -2 L 4.0780 7.9138 119.6022 57.4507 41.3998 178.1383 -1 V 4.0036 7.7420 118.6278 63.3077 32.7010 176.2915 7 L 4.7336 9.1979 127.1555 53.3638 45.5125 175.4802 8 S 5.1522 8.6898 121.3384 56.7991 65.5454 174.0305 9 G 3.9502 7.5253 108.6767 46.2817 0.0000 171.2046 10 T 5.0547 7.7024 115.5655 61.4051 71.5591 174.2222 11 V 4.4144 8.7072 127.0054 63.3910 31.6781 175.8619 12 C 4.4327 8.6663 123.6674 58.6876 30.4830 173.5365 13 R 4.6086 7.8462 120.5487 53.9588 32.0329 174.5961 14 A 4.1997 8.8218 128.4392 51.8888 18.8432 175.1817 15 P 4.6441 0.0000 0.0000 63.1775 32.3720 175.4742 16 L 4.7871 9.3971 125.6793 53.3371 44.7404 175.2924 17 R 5.3503 8.4057 124.5747 54.7328 33.2171 174.9163 18 K 4.4651 8.6950 119.4156 56.4149 36.5573 173.9738 19 V 4.8987 8.1640 120.7534 60.7412 33.4712 175.6047 20 S 4.3984 8.9901 122.9018 57.5061 63.5137 173.5478 21 P 4.2735 0.0000 0.0000 65.2735 31.1081 177.4488 22 S 4.4297 8.0756 110.5942 58.1533 63.3565 174.7034 23 G 3.9134 8.6043 109.8193 45.4284 0.0000 173.0218 24 I 4.3815 7.5703 121.1826 58.9227 38.7436 173.4509 25 P 4.8007 0.0000 0.0000 62.8879 32.9190 174.9210 26 H 5.3201 9.5077 119.4852 54.1822 33.1832 171.9488 27 C 5.2145 8.8978 121.6205 57.8385 34.5757 172.6143 28 Q 5.1600 9.2509 125.3930 54.3941 32.3349 174.5336 29 F 5.0345 8.1673 116.1800 56.4691 42.0922 172.4141 30 V 4.6824 8.2043 119.0904 60.9516 34.2530 173.7796 31 L 4.9703 8.9126 130.1145 53.3764 44.2108 174.5845 32 E 4.6593 9.3220 129.2224 55.6264 30.8622 174.1612 33 H 5.1435 9.4168 128.7977 54.5736 32.4816 173.6383 34 R 5.2987 8.0664 123.1998 54.7577 33.7177 174.4338 35 S 4.7115 9.2752 118.0141 56.8040 67.1510 172.9266 36 V 4.5086 8.3331 120.8415 62.1445 32.8499 174.7431 37 Q 4.9558 9.3822 125.8634 54.1360 33.6045 173.6068 38 E 5.3027 8.5544 116.9133 55.0403 32.8072 174.9944 39 E 4.4921 9.4380 119.6909 56.2468 32.6972 175.1430 40 A 3.7848 9.5325 124.3673 53.1951 16.0685 178.1543 41 G 3.6600 8.3706 104.6705 47.0503 0.0000 174.0308 42 F 5.0045 7.8502 118.0481 55.7819 41.7996 174.1480 43 H 5.4808 8.6494 119.4342 55.1439 30.5825 174.5293 44 R 4.5352 8.3787 114.8733 55.8629 33.0267 172.9262 45 Q 5.0732 8.8086 121.1711 54.6723 30.9500 174.2630 46 A 4.8093 9.1961 128.4468 50.3644 20.7511 175.7383 47 W 5.4989 8.5303 131.9566 56.0965 34.2656 173.8177 48 C 3.6164 7.3481 121.9683 58.4494 35.2328 172.7755 49 Q 4.4332 7.8145 124.1958 54.2545 29.7174 173.9047 50 M 4.2049 8.8952 125.3819 53.6391 33.7493 173.4209 51 P 4.6473 0.0000 0.0000 62.4906 32.7902 175.5047 52 V 4.5495 8.7510 124.6851 60.9174 34.7451 174.0578 53 I 4.8608 8.0773 125.2902 59.2176 42.1143 173.9604 54 V 4.4819 8.7744 128.7653 61.5500 33.3034 174.2935 55 S 5.1433 8.9017 123.7814 57.7219 65.2805 175.3617 56 G 4.0875 8.3287 107.5443 46.1914 0.0000 173.8175 57 H 4.2565 8.8498 117.6277 58.6244 29.1022 177.4371 58 E 3.9261 8.3733 118.9178 58.7454 29.2641 177.1492 59 N 5.0366 7.9276 112.5195 52.5857 37.7428 175.3762 60 Q 4.1028 8.1791 120.3664 59.2924 29.2942 177.5199 61 A 4.1833 8.3106 120.9626 55.3114 18.3726 180.9930 62 I 4.2948 7.6664 107.8903 61.0200 37.0959 177.0333 63 T 4.4279 8.8441 111.5806 64.2895 70.8972 175.1727 64 H 4.1610 8.5299 116.5496 57.5060 28.7218 175.5578 65 S 4.7503 7.8832 114.5372 57.9706 63.1213 173.4024 66 I 4.4650 7.5802 121.3185 59.6947 39.5348 175.2483 67 T 4.4520 8.3993 113.6368 60.2846 71.5257 173.1328 68 V 3.8448 8.0881 120.4906 64.5649 31.9467 176.9704 69 G 3.9915 8.9578 114.8939 45.2799 0.0000 173.9787 70 S 4.2459 7.6074 117.3380 58.6134 64.0912 173.4732 71 R 4.9701 8.5961 124.2063 55.1069 31.6418 175.5666 72 I 5.0996 8.7116 116.6349 59.8302 42.2320 173.8718 73 T 5.0269 8.7702 118.2876 61.8268 71.6261 173.4063 74 V 4.8451 8.9853 127.0633 61.1030 34.2941 174.1180 75 Q 5.7008 9.1044 128.0851 54.1961 32.1173 174.7990 76 G 4.6902 7.9711 111.9734 46.0991 0.0000 171.6070 77 F 5.5852 7.5143 115.9818 55.0691 41.3078 174.8330 78 I 4.9219 8.7122 113.4240 59.8716 39.9010 174.7406 79 S 4.7841 8.9584 117.6334 56.6687 66.2619 173.8110 80 C 5.7582 8.3346 123.1472 58.2726 29.2518 174.2126 81 H 4.2301 8.5092 115.6974 56.2525 28.9112 175.4511 82 K 4.5378 8.6060 119.6893 56.9030 32.8485 177.7189 83 A 3.3217 7.8096 116.1249 56.8605 18.2518 179.4614 84 K 3.9588 8.5692 118.9448 56.5233 33.3337 176.2073 85 N 4.1949 8.0793 111.8387 53.6158 41.7630 169.8846 86 G 3.9214 8.6632 122.7388 44.5880 0.0000 174.3654 87 L 4.1136 8.5941 125.7944 57.8637 40.6331 177.6878 88 S 4.5315 7.9088 113.4438 58.3554 63.3311 174.6160 89 K 4.2749 7.7947 125.3706 55.9777 31.3329 173.6000 90 M 4.7174 8.2155 124.5968 54.6336 33.2333 174.9328 91 V 4.4438 9.0660 126.1658 60.9186 35.4235 174.0028 92 L 4.6771 8.5406 129.9084 53.7959 43.4119 175.3358 93 H 4.4601 8.7466 125.9673 54.8371 29.1441 174.9276 94 A 4.5542 8.5043 126.8054 51.9232 18.3900 176.8085 95 E 4.6848 9.1475 120.1314 56.3355 32.4342 176.2481 96 Q 4.6835 7.8293 119.5962 54.7129 32.8497 173.3268 97 I 5.1723 8.3030 125.0159 59.7866 41.5091 174.1630 98 E 4.7547 9.2362 125.7334 54.4282 32.8145 175.0324 99 L 4.6147 8.5104 124.0954 54.5089 41.9428 176.8922 100 I 4.0686 8.4240 125.1029 63.0719 38.2837 176.0879 101 D 4.3485 7.9984 120.5016 52.9198 42.3362 174.0379 102 S 4.6037 8.4295 118.7260 56.4194 63.0410 173.3147 103 V 4.1028 7.7718 124.8203 61.8166 34.3640 175.6464 104 D 4.2643 8.0335 121.5384 53.6441 41.1925 173.9026 *105 K 4.1330 8.3790 120.3611 54.7605 32.4089 173.0023 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 -7 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 -6 R 8.22 3.95 0.00 2.00 1.95 0.00 2.63 0.00 0.00 3.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 -5 D 8.15 4.60 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 -3 N 8.59 4.62 0.00 2.72 2.92 0.00 0.00 7.31 7.57 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 -2 S 8.06 4.21 0.00 3.87 3.91 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 -1 L 7.87 4.22 0.00 1.72 1.78 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 -6 M 8.27 4.09 0.00 2.25 2.20 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 2.56 2.57 0.00 -5 T 7.96 4.31 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 -4 N 8.38 4.83 0.00 2.75 2.97 0.00 0.00 5.99 6.96 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 -3 R 8.42 4.22 0.00 1.75 1.93 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 -2 L 7.91 4.08 0.00 1.60 1.66 0.92 0.54 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 -1 V 7.74 4.00 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 0.92 0.00 0.00 0.93 0.00 0.00 7 L 9.20 4.73 0.00 1.61 1.42 0.56 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.69 5.15 0.00 3.93 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 9 G 7.53 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 10 T 7.70 5.05 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 1.19 0.00 0.00 11 V 8.71 4.41 2.15 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 0.93 0.00 0.00 0.66 0.00 0.00 12 C 8.67 4.43 0.00 3.02 3.08 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 13 R 7.85 4.61 0.00 1.97 2.00 0.00 3.27 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 14 A 8.82 4.20 1.23 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 0.00 0.00 15 P 0.00 4.64 0.00 1.87 2.03 0.00 3.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 16 L 9.40 4.79 0.00 1.65 1.49 0.93 0.85 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 17 R 8.41 5.35 0.00 1.71 1.81 0.00 3.23 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 18 K 8.69 4.47 0.00 1.75 1.87 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.51 7.81 19 V 8.16 4.90 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 0.85 0.00 0.00 0.92 0.00 0.00 20 S 8.99 4.40 0.00 4.07 4.07 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 0.00 0.00 0.00 21 P 0.00 4.27 0.00 2.07 2.18 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 22 S 8.08 4.43 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 3.91 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 0.00 0.00 0.00 24 I 7.57 4.38 1.81 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 1.30 1.02 0.81 0.00 0.00 25 P 0.00 4.80 0.00 2.03 2.04 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 26 H 9.51 5.32 0.00 2.99 3.13 0.00 5.56 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 27 C 8.90 5.21 0.00 3.03 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 28 Q 9.25 5.16 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.28 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 29 F 8.17 5.03 0.00 3.23 3.08 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 30 V 8.20 4.68 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 0.92 0.00 0.00 31 L 8.91 4.97 0.00 1.89 1.49 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.32 4.66 0.00 2.06 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 2.34 2.19 0.00 33 H 9.42 5.14 0.00 3.21 2.98 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.07 5.30 0.00 1.69 1.82 0.00 3.33 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 35 S 9.28 4.71 0.00 3.86 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 36 V 8.33 4.51 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 0.87 0.00 0.00 0.96 0.00 0.00 37 Q 9.38 4.96 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 38 E 8.55 5.30 0.00 1.83 1.79 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 2.16 2.27 0.00 39 E 9.44 4.49 0.00 2.14 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 2.25 2.33 0.00 40 A 9.53 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.37 3.66 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 0.00 0.00 0.00 42 F 7.85 5.00 0.00 3.25 2.92 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 43 H 8.65 5.48 0.00 3.06 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.38 4.54 0.00 1.90 2.02 0.00 2.80 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 45 Q 8.81 5.07 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 46 A 9.20 4.81 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 47 W 8.53 5.50 0.00 3.25 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 48 C 7.35 3.62 0.00 2.79 2.41 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 49 Q 7.81 4.43 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.10 1.82 0.00 50 M 8.90 4.20 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 51 P 0.00 4.65 0.00 1.99 1.85 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 52 V 8.75 4.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.72 0.00 0.00 53 I 8.08 4.86 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.61 0.53 0.00 0.00 54 V 8.77 4.48 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 0.99 0.00 0.00 1.01 0.00 0.00 55 S 8.90 5.14 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.33 4.09 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 0.00 0.00 0.00 57 H 8.85 4.26 0.00 3.26 3.38 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.37 3.93 0.00 1.93 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 2.33 2.42 0.00 59 N 7.93 5.04 0.00 2.86 2.87 0.00 0.00 6.05 7.39 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 60 Q 8.18 4.10 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 61 A 8.31 4.18 1.31 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 0.00 0.00 62 I 7.67 4.29 1.89 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 1.60 0.68 0.93 0.00 0.00 63 T 8.84 4.43 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 1.31 0.00 0.00 64 H 8.53 4.16 0.00 3.12 3.42 0.00 5.86 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 65 S 7.88 4.75 0.00 3.82 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 66 I 7.58 4.46 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.52 0.00 0.00 67 T 8.40 4.45 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 1.16 0.00 0.00 68 V 8.09 3.84 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 0.86 0.00 0.00 0.94 0.00 0.00 69 G 8.96 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 70 S 7.61 4.25 0.00 3.67 3.73 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 71 R 8.60 4.97 0.00 1.87 1.85 0.00 3.09 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 72 I 8.71 5.10 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.85 0.00 0.00 73 T 8.77 5.03 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 1.28 0.00 0.00 74 V 8.99 4.85 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 0.93 0.00 0.00 1.06 0.00 0.00 75 Q 9.10 5.70 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 76 G 7.97 4.69 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 77 F 7.51 5.59 0.00 3.19 3.26 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 78 I 8.71 4.92 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.73 0.88 0.00 0.00 79 S 8.96 4.78 0.00 4.05 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 80 C 8.33 5.76 0.00 2.94 2.86 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 81 H 8.51 4.23 0.00 3.11 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.61 4.54 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81 83 A 7.81 3.32 1.24 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 0.00 0.00 84 K 8.57 3.96 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 85 N 8.08 4.19 0.00 2.65 2.61 0.00 0.00 6.96 7.98 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 86 G 8.66 3.92 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 0.00 87 L 8.59 4.11 0.00 1.74 1.82 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.91 4.53 0.00 4.00 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 89 K 7.79 4.27 0.00 2.25 1.74 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 90 M 8.22 4.72 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 91 V 9.07 4.44 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 0.63 0.00 0.00 0.86 0.00 0.00 92 L 8.54 4.68 0.00 1.65 1.51 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.75 4.46 0.00 1.40 2.40 0.00 5.67 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 94 A 8.50 4.55 1.20 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 0.00 0.00 95 E 9.15 4.68 0.00 1.86 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 2.36 2.51 0.00 96 Q 7.83 4.68 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 97 I 8.30 5.17 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.95 0.00 0.00 98 E 9.24 4.75 0.00 1.87 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 0.00 2.21 2.25 0.00 99 L 8.51 4.61 0.00 1.52 1.59 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.42 4.07 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.91 0.00 0.00 101 D 8.00 4.35 0.00 2.59 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 0.00 102 S 8.43 4.60 0.00 3.78 3.76 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 0.00 103 V 7.77 4.10 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 0.85 0.00 0.00 0.93 0.00 0.00 104 D 8.03 4.26 0.00 2.83 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 *105 K 8.38 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.