NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3321 8.3444 119.6946 55.6594 30.1819 174.1546 2 V 4.0408 8.3929 123.0389 61.8240 32.6177 173.2256 3 Q 4.5783 9.8770 129.8559 54.3196 32.4171 173.6305 4 L 4.5941 8.6426 126.9004 53.6017 42.3853 176.5169 5 V 4.0319 8.5841 126.1938 62.0268 32.1602 174.7218 6 E 5.3467 8.7700 127.9567 55.5001 31.4293 175.5022 7 S 4.5163 9.0954 116.7832 57.9035 67.2561 173.6937 8 G 3.8798 8.5914 105.6490 45.6678 0.0000 172.7610 9 G 3.6252 8.3369 109.8630 44.7700 0.0000 171.1722 10 G 3.8300 8.0213 104.0088 43.9167 0.0000 171.6948 11 L 5.0401 8.2248 123.1088 54.1475 43.4291 177.5468 12 V 4.5630 8.5492 124.1125 60.4837 35.3088 173.5679 13 Q 4.6039 8.6192 120.2171 55.0911 30.1684 175.6351 14 A 4.1793 8.4249 125.6107 54.2526 18.7969 178.3850 15 G 3.9462 9.5031 111.5552 45.1788 0.0000 173.8878 16 G 4.0091 7.9093 108.7475 44.4406 0.0000 172.5993 17 S 4.9512 8.0999 112.9146 56.8978 66.7157 173.2142 18 L 4.6543 7.8615 120.5498 53.3704 45.7509 175.2429 19 R 4.7225 8.1676 120.0038 54.5275 33.6515 174.0729 20 L 5.1461 8.2648 123.7406 53.0824 44.9862 175.7055 21 S 5.4265 9.0277 116.8343 57.4392 67.9908 172.4403 22 C 5.3385 8.8727 121.5360 55.5021 48.4489 172.3827 23 A 5.2444 8.8830 127.6414 49.9649 21.4064 174.7841 24 A 4.9199 8.8408 125.7971 51.6563 19.5969 176.8867 25 S 4.7099 9.4022 116.3051 57.6063 66.3554 175.3531 26 G 3.9996 9.4218 109.6522 45.2640 0.0000 172.4467 27 Y 4.6316 7.5870 120.3824 55.9207 39.8891 175.0226 28 A 3.8683 7.6991 128.7695 52.8763 19.1758 175.6709 29 Y 4.6629 5.5560 112.5248 56.2548 41.3132 173.8878 30 T 4.7149 8.3106 116.5753 62.5166 70.1042 174.0952 31 Y 4.4804 9.0280 125.2747 57.9848 38.5203 175.8256 32 I 3.9310 8.8946 126.3832 64.3387 37.9712 175.5422 33 Y 4.6910 7.9703 117.8354 56.0310 41.8720 174.3299 *35 G 3.6053 8.2093 106.4428 46.2178 0.0000 171.3798 36 W 5.4104 8.8766 118.7277 54.8337 32.5297 175.4190 37 F 5.4220 9.7685 122.6767 55.7782 42.8020 174.1329 38 R 5.1229 9.0500 115.3954 55.0686 33.3717 173.9158 39 Q 4.7742 9.0354 120.9012 54.6648 32.5865 174.4987 40 A 4.6574 8.6415 128.9706 50.2864 20.0002 174.4773 41 P 4.3971 0.0000 0.0000 64.3414 31.5752 177.5470 42 G 3.9695 9.1005 111.4866 45.1104 0.0000 172.8500 43 K 4.6354 7.4095 117.6594 54.1554 34.9605 175.7002 44 E 4.2233 8.3360 119.5739 55.7286 30.2092 177.0172 45 R 4.2832 8.3130 122.1136 56.7981 30.9433 175.2916 46 E 4.8099 9.5101 126.6554 54.0865 33.2078 174.8413 47 G 3.4080 8.9523 114.0466 46.6206 0.0000 172.7849 48 V 4.3530 8.6518 125.1291 64.2740 33.3333 175.3032 49 A 4.9758 7.5812 119.3293 51.2164 22.7982 174.6042 50 A 4.7068 8.3109 121.0792 50.9574 23.7281 174.5950 *52 D 4.8766 8.7347 117.3106 53.3934 40.9522 176.7985 53 S 4.2543 8.4968 111.8241 60.0179 63.3712 175.4446 54 G 3.8690 8.1895 109.4560 45.3516 0.0000 174.4756 55 G 3.8872 8.4314 107.1868 45.3801 0.0000 173.7304 56 G 4.2365 8.0822 109.2358 44.6269 0.0000 173.8148 57 G 4.0849 8.7258 107.5509 46.0562 0.0000 173.9547 58 T 4.2641 7.9440 116.0010 63.2408 69.2401 173.9760 59 L 4.8966 8.4102 124.8124 53.2585 46.2323 175.0694 60 Y 5.3237 8.4436 118.0753 55.7118 42.1144 175.2300 61 A 4.0514 8.8959 124.3737 52.1167 19.2221 178.2305 62 D 4.2897 9.0825 121.0445 57.4982 41.3272 178.6565 63 S 4.2543 7.9458 111.0147 59.8203 63.4987 174.6892 64 V 3.8402 7.4254 113.4233 60.3981 32.4491 175.6276 65 K 3.7797 7.3571 120.9097 57.8606 32.1887 177.2849 66 G 3.9766 8.6928 111.7588 45.1203 0.0000 173.9822 67 R 4.5028 7.7983 117.0039 56.9715 32.0027 176.7677 68 F 5.3297 8.0290 115.3490 56.2398 41.6225 175.8314 69 T 4.8088 8.9583 118.0698 62.0684 71.9998 172.9789 70 I 5.0971 8.9509 127.5280 60.1566 39.6573 174.7710 71 S 4.9563 9.0030 120.9683 57.3342 66.6894 172.9288 72 R 5.2608 8.4682 118.5186 54.4429 34.5286 174.6078 73 D 4.6572 8.7735 121.5021 53.8113 41.9671 176.4706 74 K 4.0241 8.8015 123.5703 58.1364 32.4062 177.3296 75 G 3.9269 9.0166 111.6868 45.4354 0.0000 172.5549 76 K 4.6736 7.7826 119.1528 54.4759 35.9723 175.4046 77 N 5.0746 8.4408 119.1264 53.4210 37.1716 174.8109 78 T 5.1414 7.6488 107.9459 59.9770 72.4324 175.1792 79 V 4.6693 8.0512 121.6756 60.6796 35.3228 173.2148 80 Y 5.4630 9.3490 119.4383 56.4163 42.8761 174.1282 81 L 4.8414 8.5839 123.0572 53.6917 45.2880 175.9319 82 Q 4.5815 8.9330 129.0763 54.7779 31.8356 173.8378 *84 D 4.5661 8.2728 117.8737 54.6893 42.1057 175.0358 85 S 3.7304 8.5956 113.3002 59.5393 60.5999 173.3768 86 L 4.4140 7.9729 119.2121 54.8967 42.5306 177.2399 87 K 4.9846 9.1432 121.2244 53.6965 35.4855 175.5855 88 P 4.4778 0.0000 0.0000 65.8689 31.3179 178.2473 89 E 4.2214 8.1029 113.5324 57.9526 29.6677 177.0129 90 D 4.7326 8.2802 119.3184 55.5511 41.4161 176.7658 91 T 4.3170 7.9673 117.0598 64.0865 68.8810 173.4681 92 A 4.3807 8.5627 126.5914 51.8372 23.8175 175.0111 93 T 4.5837 8.1922 116.5517 63.5375 69.8462 173.8813 94 Y 5.0771 9.1880 124.5259 56.5713 40.6450 174.2913 95 Y 5.3654 9.6286 121.1037 56.3440 41.5758 174.3427 96 C 4.0447 9.6559 124.6153 56.1617 44.9496 172.1009 97 A 4.5888 7.8333 125.3030 49.9600 21.4981 175.2626 98 A 4.4107 8.2070 120.8757 51.0998 22.5837 177.2188 99 G 4.0215 9.3235 109.5801 45.1591 0.0000 174.6340 100 G 3.3875 6.3859 108.4169 44.0666 0.0000 173.0935 101 Y 4.3835 7.7976 123.2810 56.7451 42.3938 174.7478 102 E 2.6489 5.9000 127.1710 57.8897 27.9092 175.2476 103 L 4.4833 8.2887 125.4181 55.6051 42.1371 176.6695 104 R 4.5150 7.9010 120.1077 54.7699 29.4368 177.0540 105 D 4.3801 8.8282 124.4196 56.1222 39.7359 179.2032 106 R 4.0527 8.0972 118.0299 58.8824 30.4962 177.5411 107 T 4.1397 8.2388 107.3368 62.8697 69.3937 173.7488 108 Y 4.4573 7.9748 121.0098 56.6767 38.9352 175.5585 109 G 4.0957 8.4798 111.4305 45.1752 0.0000 172.8226 110 Q 4.6969 7.3884 118.8726 53.7380 31.5586 174.7485 111 W 5.0472 8.7144 122.9550 54.5625 32.6317 175.6109 112 G 4.0220 9.0882 111.7703 45.9232 0.0000 173.9263 113 Q 4.3138 8.7971 118.4445 56.8862 29.1425 177.7470 114 G 3.5443 8.8827 105.6160 45.3838 0.0000 173.0286 115 T 4.6369 8.6836 118.9846 61.2638 72.4042 173.1686 116 Q 4.4179 8.7843 128.0041 56.0239 30.7182 174.4702 117 V 4.8220 8.9962 126.4615 61.4011 34.3422 174.1345 118 T 4.8261 8.9957 124.6463 61.7831 71.6000 173.0726 119 V 4.7552 8.6758 127.8693 61.3328 32.6810 175.2499 120 S 4.9016 8.8043 123.6556 57.0520 65.7150 174.8168 121 S 4.2025 8.2144 114.2526 58.6792 62.9875 173.7845 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 Q 8.34 4.33 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 2 V 8.39 4.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.16 0.00 0.00 3 Q 9.88 4.58 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 4 L 8.64 4.59 0.00 1.51 1.56 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 4.03 2.23 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 0.98 0.00 0.00 0.96 0.00 0.00 6 E 8.77 5.35 0.00 1.99 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 2.35 2.35 0.00 7 S 9.10 4.52 0.00 3.86 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 8 G 8.59 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 9 G 8.34 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.02 3.83 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 0.00 0.00 0.00 11 L 8.22 5.04 0.00 1.63 1.55 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.55 4.56 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 0.61 0.00 0.00 0.89 0.00 0.00 13 Q 8.62 4.60 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 14 A 8.42 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 15 G 9.50 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 16 G 7.91 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.10 4.95 0.00 3.77 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 18 L 7.86 4.65 0.00 1.32 1.27 0.76 0.72 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 19 R 8.17 4.72 0.00 1.74 1.63 0.00 3.16 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 20 L 8.26 5.15 0.00 0.53 0.55 0.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.03 5.43 0.00 3.88 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 22 C 8.87 5.34 0.00 2.98 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 23 A 8.88 5.24 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 24 A 8.84 4.92 1.43 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 0.00 0.00 25 S 9.40 4.71 0.00 3.88 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 26 G 9.42 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 27 Y 7.59 4.63 0.00 2.84 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 28 A 7.70 3.87 0.49 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 29 Y 5.56 4.66 0.00 2.35 2.67 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 0.00 0.00 0.00 0.00 30 T 8.31 4.71 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 1.37 0.00 0.00 31 Y 9.03 4.48 0.00 3.01 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 32 I 8.89 3.93 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.92 0.00 0.00 33 Y 7.97 4.69 0.00 3.05 2.90 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 *35 G 8.21 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.88 5.41 0.00 3.28 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 37 F 9.77 5.42 0.00 3.37 3.14 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 38 R 9.05 5.12 0.00 1.14 0.93 0.00 2.44 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 39 Q 9.04 4.77 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 40 A 8.64 4.66 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 41 P 0.00 4.40 0.00 2.06 2.04 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 42 G 9.10 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 0.00 0.00 0.00 43 K 7.41 4.64 0.00 1.76 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 44 E 8.34 4.22 0.00 1.96 1.86 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 2.29 2.28 0.00 45 R 8.31 4.28 0.00 1.68 1.73 0.00 2.65 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 46 E 9.51 4.81 0.00 2.04 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 2.20 2.25 0.00 47 G 8.95 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 48 V 8.65 4.35 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 1.40 0.00 0.00 1.04 0.00 0.00 49 A 7.58 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.31 4.71 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 *52 D 8.73 4.88 0.00 2.49 1.83 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 53 S 8.50 4.25 0.00 4.04 4.33 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 54 G 8.19 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 55 G 8.43 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 0.00 0.00 0.00 56 G 8.08 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 0.00 0.00 0.00 0.00 57 G 8.73 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 0.00 0.00 0.00 0.00 58 T 7.94 4.26 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 1.06 0.00 0.00 59 L 8.41 4.90 0.00 1.43 1.40 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.44 5.32 0.00 2.82 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 61 A 8.90 4.05 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 62 D 9.08 4.29 0.00 2.68 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 63 S 7.95 4.25 0.00 3.95 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 64 V 7.43 3.84 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 0.10 0.00 0.00 0.90 0.00 0.00 65 K 7.36 3.78 0.00 1.62 1.66 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.63 7.81 66 G 8.69 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 67 R 7.80 4.50 0.00 1.74 2.33 0.00 3.33 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 F 8.03 5.33 0.00 2.70 2.98 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 69 T 8.96 4.81 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 1.31 0.00 0.00 70 I 8.95 5.10 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.85 0.00 0.00 71 S 9.00 4.96 0.00 4.02 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 72 R 8.47 5.26 0.00 1.72 1.92 0.00 3.22 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 73 D 8.77 4.66 0.00 2.71 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 74 K 8.80 4.02 0.00 1.77 1.79 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 75 G 9.02 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 76 K 7.78 4.67 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 77 N 8.44 5.07 0.00 2.80 2.98 0.00 0.00 6.32 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 78 T 7.65 5.14 4.01 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 0.00 0.00 1.25 0.00 0.00 79 V 8.05 4.67 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 0.33 0.00 0.00 1.10 0.00 0.00 80 Y 9.35 5.46 0.00 2.96 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 81 L 8.58 4.84 0.00 0.55 0.53 1.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.93 4.58 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.22 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 *84 D 8.27 4.57 0.00 2.87 2.63 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 0.00 0.00 0.00 0.00 85 S 8.60 3.73 0.00 3.99 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 86 L 7.97 4.41 0.00 1.81 1.62 0.80 0.83 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 87 K 9.14 4.98 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.56 7.81 88 P 0.00 4.48 0.00 2.19 2.13 0.00 3.61 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 2.13 2.10 0.00 89 E 8.10 4.22 0.00 2.09 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 2.30 2.28 0.00 90 D 8.28 4.73 0.00 2.92 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 91 T 7.97 4.32 4.35 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 1.30 0.00 0.00 92 A 8.56 4.38 1.16 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 93 T 8.19 4.58 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 0.73 0.00 0.00 94 Y 9.19 5.08 0.00 3.03 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 95 Y 9.63 5.37 0.00 3.32 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 96 C 9.66 4.04 0.00 2.04 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 97 A 7.83 4.59 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.41 -0.04 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 0.00 0.00 99 G 9.32 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 0.00 0.00 0.00 0.00 100 G 6.39 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.80 4.38 0.00 2.74 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 0.00 102 E 5.90 2.65 0.00 1.47 1.16 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 1.47 1.47 0.00 103 L 8.29 4.48 0.00 1.57 1.59 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.90 4.51 0.00 2.01 2.00 0.00 3.19 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 105 D 8.83 4.38 0.00 2.61 2.90 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 0.00 106 R 8.10 4.05 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 107 T 8.24 4.14 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 1.26 0.00 0.00 108 Y 7.97 4.46 0.00 2.80 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 0.00 0.00 0.00 0.00 109 G 8.48 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 0.00 110 Q 7.39 4.70 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 111 W 8.71 5.05 0.00 3.06 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 0.00 112 G 9.09 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 0.00 0.00 0.00 0.00 113 Q 8.80 4.31 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 114 G 8.88 3.54 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 0.00 0.00 0.00 115 T 8.68 4.64 4.33 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 1.23 0.00 0.00 116 Q 8.78 4.42 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 117 V 9.00 4.82 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 0.77 0.00 0.00 0.43 0.00 0.00 118 T 9.00 4.83 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 1.22 0.00 0.00 119 V 8.68 4.76 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 0.84 0.00 0.00 1.00 0.00 0.00 120 S 8.80 4.90 0.00 3.95 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 0.00 121 S 8.21 4.20 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.