NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5852 8.1933 115.5794 58.2854 63.9329 172.2892 3 V 4.9097 8.5435 119.6670 59.4478 35.3689 173.6020 4 T 4.5887 10.5834 122.1802 62.1018 71.6038 172.7662 5 Q 4.9447 8.7646 126.2036 53.3465 29.4082 174.2648 6 P 4.3832 0.0000 0.0000 64.9212 31.4063 176.6987 7 D 4.8484 7.3335 115.4119 52.3036 42.5680 176.0770 8 A 4.2582 8.7628 126.3031 54.5790 19.4389 177.2286 9 R 5.1348 7.8723 111.5808 54.5838 34.0550 175.4221 10 V 4.5518 8.8900 121.1656 61.7841 35.4410 173.6679 11 T 5.1907 8.5550 122.9664 61.9642 71.6565 173.6581 12 V 4.5828 8.8951 118.0848 59.5595 36.6542 174.7979 13 S 4.6942 8.5271 119.3189 57.6925 64.0620 173.4846 14 E 3.9241 8.8794 125.0180 58.3151 29.6794 176.4987 15 G 3.9269 9.5088 114.6175 44.5235 0.0000 173.4873 16 A 4.3856 7.8775 121.5611 51.2104 20.3163 176.8131 17 S 4.8294 8.2996 114.6391 57.4155 64.2277 173.9824 18 L 4.7296 8.7315 124.7618 53.3084 45.1483 175.1110 19 Q 4.6933 8.4304 125.5789 54.5837 31.9855 173.5492 20 L 4.6916 8.2398 126.8542 52.9933 43.8776 176.4046 21 R 4.4420 8.6383 123.1193 56.1826 31.5661 176.8540 22 C 5.1725 9.1124 121.4682 55.6533 45.4889 172.4942 23 K 5.4152 9.4815 126.4123 54.7414 34.4696 174.8018 24 Y 5.1613 8.8600 121.8846 55.2004 41.5089 174.8420 25 S 4.5801 9.0668 116.1817 57.1789 64.8714 172.8952 26 Y 4.7686 8.4779 125.6580 56.6098 41.5477 174.6209 27 S 4.0784 8.5153 123.8680 61.5695 63.1491 174.6581 28 A 4.1535 6.5648 120.5898 51.3737 19.1023 176.3461 29 T 3.7546 8.3246 115.4533 63.3146 68.4619 172.6129 30 P 4.0326 0.0000 0.0000 62.4147 32.0757 175.3794 31 Y 4.2815 7.9480 121.2553 56.1092 39.4875 174.2645 32 L 4.8378 7.4570 123.2028 53.1931 44.1115 175.8857 33 F 5.6141 9.7063 120.1198 55.9681 44.3881 173.5380 34 W 5.6923 9.2165 119.1882 55.5096 32.8468 174.2662 35 Y 5.4334 10.0787 122.3815 56.1303 41.4020 174.8957 36 V 4.3110 8.9200 122.1495 59.7789 34.7406 174.5114 37 Q 4.6020 8.5756 124.5748 54.4590 31.2664 173.6350 38 Y 4.6868 8.3218 124.6366 56.6658 39.7026 173.3361 39 P 4.0520 0.0000 0.0000 63.5728 31.9392 176.0449 40 R 3.8994 8.7472 120.9464 57.0698 27.7095 175.8061 41 Q 4.5863 7.7056 113.3955 54.0533 33.0635 175.1671 42 G 3.9383 8.3411 107.0005 45.1380 0.0000 171.6460 43 P 4.7919 0.0000 0.0000 62.4808 32.2042 176.1729 44 Q 4.9135 9.2613 122.5845 53.7541 32.0706 174.7843 45 L 3.6041 8.6893 125.4774 55.4019 42.4237 175.5248 46 L 4.5632 8.8655 129.0345 56.0867 43.5636 175.7359 47 L 4.7842 7.5325 116.4056 55.1106 43.4643 172.7939 48 K 5.0473 8.4238 117.6466 55.7475 35.8622 174.7863 49 Y 4.2971 8.3602 121.6746 56.6369 41.3338 173.8934 50 Y 4.3979 7.8920 123.3673 58.4706 39.8233 176.0663 51 S 4.4028 6.6537 110.4825 58.8457 66.6337 175.4811 52 G 4.0033 8.5760 107.4716 44.7400 0.0000 174.6967 53 D 4.4070 8.9022 125.4623 54.2094 41.3174 174.6490 54 P 4.4313 0.0000 0.0000 64.4091 32.5909 175.5770 55 V 4.8240 8.0290 121.2249 61.4795 32.9243 175.0905 56 V 4.6047 8.7426 121.5760 59.8491 34.5077 174.8619 57 Q 4.9170 8.7176 122.0626 54.4217 30.8593 174.9782 58 G 4.3774 9.1887 110.9156 44.0260 0.0000 172.4743 59 V 3.9407 8.2038 119.1237 63.1973 32.3251 175.0291 60 N 4.1240 9.3147 117.5502 55.5259 35.8950 174.3951 61 G 3.9570 7.9487 98.3806 46.8274 0.0000 172.9113 62 F 5.0326 7.7032 116.1216 55.4562 42.1770 175.4743 63 E 5.1630 9.0020 118.5359 55.3535 33.4118 173.6402 64 A 4.9086 8.7641 121.2162 50.3823 23.7233 174.6350 65 E 5.0572 8.5787 119.6411 54.3396 32.6671 174.4789 66 F 5.2064 9.4429 130.6955 57.9235 40.4219 175.0532 67 S 3.9733 8.6519 120.8512 55.8178 63.5440 173.9308 68 K 3.7823 8.0602 127.5463 58.4687 32.1204 178.1325 69 S 4.1543 7.8377 111.5701 61.5413 62.8436 175.0596 70 N 4.3059 7.9639 119.0224 53.3323 39.1202 174.6236 71 S 3.2836 8.1581 114.0222 60.0707 60.8864 171.1235 72 S 5.4332 7.6373 112.1237 56.3375 66.9844 173.9036 73 F 5.9916 8.7132 120.8216 57.8891 38.7214 174.1003 74 H 4.8410 8.2362 118.6221 56.1998 30.5323 176.2946 75 L 4.4475 8.5481 124.6363 53.9719 44.1613 175.0466 76 R 4.9830 8.5991 122.8223 55.0867 34.2483 173.5881 77 K 4.6375 8.5783 124.9653 54.6171 34.6913 177.1458 78 A 3.8331 8.5994 130.1589 54.8130 18.3836 176.4546 79 S 4.6473 7.4047 110.7984 57.3025 64.8583 173.9025 80 V 4.0647 8.7235 121.9010 61.3301 33.2550 175.2228 81 H 5.1594 9.2474 119.9535 53.7431 32.7613 175.0368 82 R 3.9688 8.6846 117.7840 59.8185 29.9149 179.7784 83 S 4.1816 8.1880 112.4008 61.5805 62.8284 174.9514 84 D 4.9636 7.9596 117.8514 55.1627 40.8681 176.5991 85 S 4.7120 8.6115 116.4441 58.4895 63.2324 173.3992 86 A 4.3406 7.9970 125.7438 52.0876 23.4456 173.6440 87 V 4.6348 7.3734 115.9114 61.6199 33.9347 175.0273 88 Y 5.0240 9.0992 125.8436 56.3041 40.3997 174.5408 89 F 5.2819 10.0280 123.9853 55.9018 42.2054 173.6261 90 C 4.2439 8.6798 122.7693 54.7706 43.8613 172.0482 91 A 5.1570 9.0309 127.0009 50.2578 22.8310 175.0655 92 V 4.7150 8.0024 119.9361 59.4205 34.9249 174.8119 93 S 3.9495 9.3359 119.2936 58.3731 62.6792 171.7320 *99 D 4.7777 8.7385 129.0898 52.8092 41.5424 174.3884 100 P 4.4177 0.0000 0.0000 62.1188 31.4358 174.5313 101 P 4.6472 0.0000 0.0000 62.0657 31.8030 173.7680 102 P 4.6838 0.0000 0.0000 62.9880 31.7310 175.7384 103 L 4.3948 7.9547 118.9643 54.4788 42.7309 175.7692 104 L 4.5383 8.1428 123.6351 53.4706 44.4394 175.4226 105 T 4.4989 8.1477 122.4941 61.8327 70.6279 173.9900 106 F 4.4779 8.8432 125.4073 56.8678 40.1135 175.8198 107 G 4.2669 8.6651 108.6252 45.1515 0.0000 174.7172 108 S 4.3595 8.8584 113.4103 59.2211 63.4479 175.6726 109 G 3.6497 8.1042 105.9726 45.8805 0.0000 172.7820 110 T 4.8254 7.8967 115.0448 61.4350 72.9135 172.9142 111 K 4.7970 9.2525 128.0767 55.2058 34.1304 175.0403 112 V 4.8043 9.1182 128.3786 61.3618 33.7338 174.2174 113 I 4.9460 8.7598 129.0492 59.4282 39.8520 174.7205 114 V 5.4374 8.3299 126.9682 59.1209 33.3885 175.9426 115 L 4.3230 8.4671 122.9183 54.9354 41.3557 176.6093 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 S 8.19 4.59 0.00 4.01 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 0.00 3 V 8.54 4.91 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 0.78 0.00 0.00 1.00 0.00 0.00 4 T 10.58 4.59 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 5 Q 8.76 4.94 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 6 P 0.00 4.38 0.00 2.20 2.24 0.00 4.00 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 7 D 7.33 4.85 0.00 2.69 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 8 A 8.76 4.26 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.87 5.13 0.00 1.67 1.81 0.00 3.20 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 8.89 4.55 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 0.91 0.00 0.00 0.93 0.00 0.00 11 T 8.56 5.19 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 1.25 0.00 0.00 12 V 8.90 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 13 S 8.53 4.69 0.00 3.76 3.77 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 14 E 8.88 3.92 0.00 1.93 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 2.33 2.53 0.00 15 G 9.51 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 16 A 7.88 4.39 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 17 S 8.30 4.83 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 18 L 8.73 4.73 0.00 1.58 1.29 0.81 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.43 4.69 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 20 L 8.24 4.69 0.00 1.18 1.61 0.59 0.70 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 21 R 8.64 4.44 0.00 1.69 1.79 0.00 3.12 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.51 0.00 22 C 9.11 5.17 0.00 3.25 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 5.42 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.55 7.81 24 Y 8.86 5.16 0.00 3.01 3.07 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 25 S 9.07 4.58 0.00 3.88 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 26 Y 8.48 4.77 0.00 3.02 3.09 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 27 S 8.52 4.08 0.00 3.67 3.80 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 A 6.56 4.15 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 29 T 8.32 3.75 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 0.48 0.00 0.00 30 P 0.00 4.03 0.00 1.52 1.71 0.00 3.56 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.04 0.00 31 Y 7.95 4.28 0.00 2.97 2.85 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 32 L 7.46 4.84 0.00 0.27 0.74 0.32 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.71 5.61 0.00 3.02 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 34 W 9.22 5.69 0.00 3.30 3.04 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 0.00 35 Y 10.08 5.43 0.00 3.21 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 36 V 8.92 4.31 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 37 Q 8.58 4.60 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 38 Y 8.32 4.69 0.00 2.98 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 39 P 0.00 4.05 0.00 2.10 2.03 0.00 3.99 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 40 R 8.75 3.90 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.71 4.59 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 42 G 8.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 1.71 1.88 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.82 0.00 44 Q 9.26 4.91 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 45 L 8.69 3.60 0.00 1.48 1.53 0.57 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.87 4.56 0.00 1.99 1.62 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.53 4.78 0.00 1.84 1.76 1.13 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.42 5.05 0.00 1.10 1.77 0.00 1.12 0.00 0.00 1.59 0.00 0.00 2.51 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.07 0.70 7.81 49 Y 8.36 4.30 0.00 3.17 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 0.00 0.00 0.00 0.00 50 Y 7.89 4.40 0.00 2.73 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 51 S 6.65 4.40 0.00 3.91 3.70 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 0.00 0.00 0.00 52 G 8.58 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.41 0.00 2.72 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 54 P 0.00 4.43 0.00 2.27 2.37 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 55 V 8.03 4.82 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 0.80 0.00 0.00 0.94 0.00 0.00 56 V 8.74 4.60 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 1.18 0.00 0.00 57 Q 8.72 4.92 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 9.19 4.38 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 0.00 59 V 8.20 3.94 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 1.04 0.00 0.00 0.99 0.00 0.00 60 N 9.31 4.12 0.00 3.29 3.16 0.00 0.00 7.03 7.65 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 61 G 7.95 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 0.00 0.00 0.00 62 F 7.70 5.03 0.00 3.18 2.85 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 63 E 9.00 5.16 0.00 2.08 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 0.00 2.11 2.19 0.00 64 A 8.76 4.91 0.64 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 0.00 0.00 65 E 8.58 5.06 0.00 2.03 1.75 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 2.17 2.21 0.00 66 F 9.44 5.21 0.00 2.43 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 0.00 0.00 0.00 0.00 67 S 8.65 3.97 0.00 3.72 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 68 K 8.06 3.78 0.00 1.77 1.74 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.15 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.46 7.81 69 S 7.84 4.15 0.00 3.96 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 70 N 7.96 4.31 0.00 2.64 2.79 0.00 0.00 7.39 7.77 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 71 S 8.16 3.28 0.00 3.80 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.64 5.43 0.00 3.78 3.89 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 73 F 8.71 5.99 0.00 3.08 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 74 H 8.24 4.84 0.00 3.14 3.19 0.00 5.67 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 75 L 8.55 4.45 0.00 0.27 0.32 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.60 4.98 0.00 1.73 1.57 0.00 3.02 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 77 K 8.58 4.64 0.00 0.85 1.16 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.93 1.02 7.81 78 A 8.60 3.83 1.21 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 0.00 0.00 79 S 7.40 4.65 0.00 3.77 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 80 V 8.72 4.06 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 0.61 0.00 0.00 0.94 0.00 0.00 81 H 9.25 5.16 0.00 3.03 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.68 3.97 0.00 1.85 2.02 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 83 S 8.19 4.18 0.00 3.92 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 84 D 7.96 4.96 0.00 2.94 3.04 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 0.00 85 S 8.61 4.71 0.00 4.06 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 86 A 8.00 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.37 4.63 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.88 0.00 0.00 88 Y 9.10 5.02 0.00 3.01 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 89 F 10.03 5.28 0.00 3.21 3.25 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 90 C 8.68 4.24 0.00 1.69 2.58 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 91 A 9.03 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.00 4.72 1.92 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 0.47 0.00 0.00 0.44 0.00 0.00 93 S 9.34 3.95 0.00 4.33 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 *99 D 8.74 4.78 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.42 0.00 2.30 2.27 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 101 P 0.00 4.65 0.00 2.04 1.93 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 102 P 0.00 4.68 0.00 2.12 2.07 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 1.91 1.94 0.00 103 L 7.95 4.39 0.00 1.70 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.14 4.54 0.00 1.38 1.09 0.32 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.15 4.50 4.27 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 1.21 0.00 0.00 106 F 8.84 4.48 0.00 2.78 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 0.00 107 G 8.67 4.27 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 0.00 108 S 8.86 4.36 0.00 4.08 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 0.00 109 G 8.10 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 0.00 110 T 7.90 4.83 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 1.30 0.00 0.00 111 K 9.25 4.80 0.00 1.79 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 112 V 9.12 4.80 2.36 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 0.93 0.00 0.00 0.96 0.00 0.00 113 I 8.76 4.95 1.89 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 1.32 0.63 0.94 0.00 0.00 114 V 8.33 5.44 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 0.83 0.00 0.00 1.00 0.00 0.00 115 L 8.47 4.32 0.00 1.55 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.