NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.6403 8.3049 120.3509 55.8363 32.5569 174.2615 1 D 4.8126 9.0331 126.4655 53.2270 43.3863 174.2012 2 W 4.7823 8.6619 118.9177 56.7134 30.5734 175.7360 3 V 4.3537 9.5633 123.9630 61.3529 33.6517 174.3401 4 I 4.5400 8.2887 129.2645 58.8665 38.8939 174.2856 5 P 4.4640 0.0000 0.0000 60.8916 32.1001 174.4392 6 P 4.3511 0.0000 0.0000 62.7437 31.6939 175.8284 7 I 4.3326 8.1675 124.3794 59.6882 38.4892 175.3313 8 S 4.6062 8.3052 118.4957 56.2240 65.4381 173.8651 9 L 4.3453 8.5582 125.6572 53.6225 43.1000 176.1153 10 P 4.5339 0.0000 0.0000 63.0895 30.4152 179.0600 *14 K 4.3188 8.5709 116.4821 54.0606 32.2192 173.8342 15 G 4.2881 8.0415 118.7161 45.3526 0.0000 172.4149 16 P 4.5763 0.0000 0.0000 60.4204 30.4701 174.4289 17 F 4.9453 8.1128 124.4316 55.6199 41.1952 173.6792 18 P 4.7492 0.0000 0.0000 62.8654 32.4508 175.1198 19 K 4.3923 8.7340 123.0892 54.5136 34.1487 175.2926 20 N 4.5057 8.6743 124.8793 53.8932 38.7548 173.6451 21 L 4.6282 9.3483 122.2816 55.6915 42.7849 177.0271 22 V 4.5925 7.4765 109.0938 60.3591 37.0798 172.5533 23 Q 4.1539 7.9039 123.4413 54.3015 29.7623 174.8766 24 I 4.5386 8.0426 120.9461 59.7798 40.7044 174.3817 25 K 4.2560 8.2618 120.5740 56.3077 36.3931 173.8697 26 S 4.9506 8.7642 115.4677 56.3369 65.0136 174.3662 27 N 4.5957 9.2719 123.0410 54.2546 38.3187 177.0317 28 K 4.1931 8.0106 121.1409 57.7795 32.1925 178.0893 29 D 4.9826 8.2807 121.6376 54.4628 39.1987 177.3354 30 K 4.2486 7.6044 119.0288 57.4035 33.0502 176.7177 31 E 4.4800 7.6494 118.6275 56.1789 31.8179 175.6518 32 G 3.8732 6.9307 106.2811 44.6383 0.0000 172.3501 33 K 4.1003 8.6020 121.2948 56.0256 32.5759 175.9709 34 V 4.3643 7.6960 125.6669 60.9856 34.0675 174.4487 35 F 4.8358 8.6715 124.6595 55.8545 42.3515 173.8137 36 Y 6.0768 9.6706 121.4088 56.0788 40.7565 174.8851 37 S 5.2514 8.7475 115.3892 57.2495 66.8091 172.5946 38 I 5.4647 8.4542 113.5874 59.5553 40.6276 174.2722 39 T 4.7852 9.3670 113.1052 60.3379 72.8655 172.0849 40 G 4.4113 9.4318 108.0042 43.0529 0.0000 173.3145 41 Q 4.9100 7.9867 121.0083 57.3394 29.3210 176.1430 42 G 4.7162 9.4666 114.2344 44.6240 0.0000 173.3237 43 A 4.8067 8.5355 121.9150 51.5852 20.8423 176.6922 44 D 4.9470 8.4056 117.3512 52.1109 41.2619 176.9738 45 T 4.7406 7.3640 109.6197 58.8338 71.9172 170.9971 46 P 4.6983 0.0000 0.0000 62.7822 32.2598 174.0195 47 P 4.5064 0.0000 0.0000 62.2046 32.3944 175.8173 48 V 3.8973 8.4736 125.7016 63.5138 32.1262 175.9473 49 G 3.9317 8.9225 115.1766 46.2754 0.0000 174.7196 50 V 3.5742 7.7670 122.1039 64.7180 32.5176 175.8429 51 F 5.4256 8.1027 117.6360 55.5114 41.9201 174.9274 52 I 4.9191 8.7912 114.7012 59.4365 41.6031 173.6298 53 I 5.1475 8.1835 121.6815 59.0697 41.3494 174.1327 54 E 4.1570 9.4798 130.7264 56.1235 29.9199 176.9874 55 R 4.6794 9.1275 127.8538 58.8543 30.2055 177.8939 56 E 3.9437 8.2718 115.3534 57.6434 30.0205 177.2202 57 T 4.3391 8.3170 107.1314 61.0800 70.3965 175.6944 58 G 3.5829 8.7073 109.8901 45.5703 0.0000 172.5379 59 W 4.3513 7.7188 119.4595 56.6500 30.0849 174.9411 60 L 4.9761 9.0922 128.8141 54.1113 43.1561 175.6363 61 K 5.3437 9.5840 125.0931 54.6619 36.9087 175.2917 62 V 4.7557 8.7052 122.1047 60.4285 33.6268 176.2409 63 T 4.7843 8.5583 112.9725 61.8174 69.6335 173.6637 64 E 3.8389 7.7084 118.3790 54.3049 32.4867 172.9609 65 P 4.4643 0.0000 0.0000 62.8615 31.9864 177.4295 66 L 4.4693 8.4615 120.5353 55.4572 42.0229 178.1650 67 D 4.5220 7.9679 118.0540 55.1332 39.5483 177.0563 68 R 4.2387 7.4234 116.6983 56.4795 30.6194 175.5688 69 E 4.7171 7.9229 118.5397 54.6659 31.8236 175.3129 70 R 4.5845 8.4460 118.3934 55.8073 30.9839 175.5449 71 I 4.1112 7.5657 119.1849 59.7900 38.4658 175.5925 72 A 4.2128 8.4971 127.3635 54.8007 19.4723 177.3934 73 T 4.9557 7.4131 109.7956 62.1602 72.4352 173.3012 74 Y 4.4371 9.3624 124.1050 56.9507 40.2083 174.9263 75 T 4.5430 8.5758 120.1661 62.0697 70.1874 173.4111 76 L 4.9602 8.3977 126.6028 52.7739 45.5370 175.7381 77 F 5.0956 8.8491 119.0944 55.7298 42.5810 174.4716 78 S 5.2160 8.8364 118.5789 57.3175 65.4134 172.8632 79 H 5.7555 9.7021 118.4265 54.2050 33.1875 172.4734 80 A 4.9619 8.8545 121.8733 50.5288 21.9057 175.4552 81 V 4.8539 8.6505 114.8820 59.9557 36.5555 175.5027 82 S 5.2035 8.9660 119.0830 57.2187 64.8694 175.6727 83 S 4.1051 9.0949 115.0804 62.0048 62.2404 175.5648 84 N 4.3810 8.1047 114.2636 52.9051 36.8472 175.5918 85 G 3.8811 8.3787 107.3988 45.9522 0.0000 173.4201 86 N 4.6577 7.6987 117.2386 51.5919 39.7480 174.5264 87 A 4.5348 8.5093 125.5902 52.7020 18.9544 177.7343 88 V 4.2643 8.6194 114.8258 61.1743 32.4840 175.5425 89 E 4.6791 7.4371 117.7255 55.0733 33.3199 174.4320 90 D 4.7984 8.4906 120.4446 53.1871 41.9017 174.8896 91 P 4.8008 0.0000 0.0000 63.2807 32.4248 175.3178 92 M 4.4563 8.2918 122.6942 53.5146 34.3501 174.3825 93 E 3.9682 8.6215 127.3607 55.7693 30.9865 175.6142 94 I 4.2308 8.5668 127.7738 59.3550 40.2836 174.0336 95 L 4.7162 8.3070 129.7198 53.8445 43.4514 175.6629 96 I 4.4885 8.7336 126.7941 59.9386 40.3095 174.3908 97 T 4.8678 8.5004 124.0410 62.0223 70.1469 174.7328 98 V 3.9997 8.6228 127.0322 62.5592 32.2500 175.9236 99 T 4.1901 8.4650 121.5616 62.2190 67.5079 173.1909 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 0 M 8.30 4.64 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 1 D 9.03 4.81 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 W 8.66 4.78 0.00 3.18 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 3 V 9.56 4.35 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 1.00 0.00 0.00 4 I 8.29 4.54 1.81 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 1.33 0.90 0.78 0.00 0.00 5 P 0.00 4.46 0.00 1.97 1.93 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 6 P 0.00 4.35 0.00 2.16 2.05 0.00 3.73 0.00 0.00 3.63 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 7 I 8.17 4.33 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.90 0.00 0.00 8 S 8.31 4.61 0.00 3.92 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 9 L 8.56 4.35 0.00 1.72 1.72 1.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.53 0.00 2.16 1.42 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 *14 K 8.57 4.32 0.00 1.82 1.68 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 15 G 8.04 4.29 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 0.00 16 P 0.00 4.58 0.00 2.06 2.02 0.00 3.52 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 1.67 1.84 0.00 17 F 8.11 4.95 0.00 2.87 2.99 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 18 P 0.00 4.75 0.00 2.10 2.11 0.00 3.76 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 1.99 1.99 0.00 19 K 8.73 4.39 0.00 1.22 1.47 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.27 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.13 7.81 20 N 8.67 4.51 0.00 2.45 2.76 0.00 0.00 6.98 7.85 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 21 L 9.35 4.63 0.00 1.69 1.68 1.13 0.88 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 22 V 7.48 4.59 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 0.74 0.00 0.00 0.84 0.00 0.00 23 Q 7.90 4.15 0.00 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 24 I 8.04 4.54 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.75 0.00 0.00 25 K 8.26 4.26 0.00 1.75 1.74 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.34 7.81 26 S 8.76 4.95 0.00 2.93 3.40 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 0.00 27 N 9.27 4.60 0.00 2.67 2.78 0.00 0.00 6.82 6.84 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 28 K 8.01 4.19 0.00 1.58 1.72 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.62 7.81 29 D 8.28 4.98 0.00 2.91 2.87 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 30 K 7.60 4.25 0.00 1.94 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.44 7.81 31 E 7.65 4.48 0.00 2.09 1.96 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 2.20 2.17 0.00 32 G 6.93 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 0.00 0.00 0.00 33 K 8.60 4.10 0.00 1.64 1.67 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.48 1.06 7.81 34 V 7.70 4.36 1.68 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 0.12 0.00 0.00 0.77 0.00 0.00 35 F 8.67 4.84 0.00 2.90 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 36 Y 9.67 6.08 0.00 2.98 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 37 S 8.75 5.25 0.00 3.95 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 38 I 8.45 5.46 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.94 0.00 0.00 39 T 9.37 4.79 4.34 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 1.25 0.00 0.00 40 G 9.43 4.41 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 41 Q 7.99 4.91 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 42 G 9.47 4.72 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 0.00 0.00 0.00 43 A 8.54 4.81 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 44 D 8.41 4.95 0.00 2.83 2.83 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 0.00 0.00 0.00 0.00 45 T 7.36 4.74 4.29 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 1.25 0.00 0.00 46 P 0.00 4.70 0.00 1.99 2.11 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 47 P 0.00 4.51 0.00 2.18 2.39 0.00 3.87 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 2.29 2.18 0.00 48 V 8.47 3.90 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 0.86 0.00 0.00 0.96 0.00 0.00 49 G 8.92 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 50 V 7.77 3.57 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 0.26 0.00 0.00 1.06 0.00 0.00 51 F 8.10 5.43 0.00 2.93 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 52 I 8.79 4.92 1.95 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 1.17 1.15 0.95 0.00 0.00 53 I 8.18 5.15 1.96 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 1.34 1.07 1.09 0.00 0.00 54 E 9.48 4.16 0.00 2.40 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 0.00 2.42 2.56 0.00 55 R 9.13 4.68 0.00 2.03 2.11 0.00 3.34 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 56 E 8.27 3.94 0.00 2.10 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 0.00 2.39 2.53 0.00 57 T 8.32 4.34 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 1.37 0.00 0.00 58 G 8.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.72 4.35 0.00 3.43 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 4.98 0.00 1.73 1.70 1.02 0.27 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 61 K 9.58 5.34 0.00 1.71 1.81 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.65 7.81 62 V 8.71 4.76 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 0.96 0.00 0.00 0.73 0.00 0.00 63 T 8.56 4.78 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 1.25 0.00 0.00 64 E 7.71 3.84 0.00 1.78 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 2.01 2.18 0.00 65 P 0.00 4.46 0.00 2.17 2.06 0.00 3.30 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 66 L 8.46 4.47 0.00 1.78 1.80 1.06 0.84 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 67 D 7.97 4.52 0.00 2.77 2.81 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 0.00 0.00 0.00 68 R 7.42 4.24 0.00 1.97 1.98 0.00 3.04 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 69 E 7.92 4.72 0.00 1.98 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 2.42 2.44 0.00 70 R 8.45 4.58 0.00 1.80 1.87 0.00 3.41 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 71 I 7.57 4.11 0.96 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 1.28 0.60 0.39 0.00 0.00 72 A 8.50 4.21 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 73 T 7.41 4.96 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 1.23 0.00 0.00 74 Y 9.36 4.44 0.00 2.75 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 75 T 8.58 4.54 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 0.97 0.00 0.00 76 L 8.40 4.96 0.00 1.31 1.42 0.40 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.85 5.10 0.00 3.02 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 78 S 8.84 5.22 0.00 3.60 3.64 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 79 H 9.70 5.76 0.00 3.20 3.36 0.00 5.56 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 80 A 8.85 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.65 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 0.85 0.00 0.00 1.04 0.00 0.00 82 S 8.97 5.20 0.00 3.74 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 83 S 9.09 4.11 0.00 4.01 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 0.00 84 N 8.10 4.38 0.00 2.84 2.97 0.00 0.00 6.05 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 85 G 8.38 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 86 N 7.70 4.66 0.00 2.76 2.74 0.00 0.00 6.96 7.35 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 87 A 8.51 4.53 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 88 V 8.62 4.26 1.97 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 0.72 0.00 0.00 0.79 0.00 0.00 89 E 7.44 4.68 0.00 1.73 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 1.90 1.50 0.00 90 D 8.49 4.80 0.00 2.81 2.71 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 91 P 0.00 4.80 0.00 2.02 1.96 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 92 M 8.29 4.46 0.00 0.72 0.57 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 2.05 1.97 0.00 93 E 8.62 3.97 0.00 1.84 1.65 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 1.93 1.49 0.00 94 I 8.57 4.23 1.58 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.37 0.70 0.00 0.00 95 L 8.31 4.72 0.00 1.50 1.46 0.84 0.97 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 96 I 8.73 4.49 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.90 0.00 0.00 97 T 8.50 4.87 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 1.26 0.00 0.00 98 V 8.62 4.00 2.16 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 0.79 0.00 0.00 1.26 0.00 0.00 99 T 8.47 4.19 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.