NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3581 8.1744 110.9435 61.1812 70.6473 173.5463 6 N 4.8263 7.8575 120.3594 53.0136 39.2978 172.9886 7 S 4.5404 8.8224 113.8157 57.6033 65.2648 173.5112 8 D 4.7948 8.5599 121.4572 54.8796 41.8344 175.3954 9 F 5.4082 7.9639 114.2154 55.4071 41.7337 174.0143 10 V 4.6212 8.7583 111.7671 59.5466 35.3429 174.9268 11 V 4.8404 8.7101 124.1189 61.3607 33.7670 174.4317 12 I 4.9192 9.1868 128.5022 59.3333 40.6837 174.1284 13 K 5.0701 9.2196 128.6768 54.2426 34.6058 174.9827 14 A 4.4436 8.6884 130.1760 52.2240 19.1516 177.4304 15 L 4.7223 8.9279 122.2546 54.6458 42.6040 175.7135 16 E 4.7351 7.6637 115.7912 55.0979 32.5407 174.4312 17 D 4.4520 8.5745 119.8677 54.9670 41.7518 176.9721 18 G 3.8345 8.7641 108.2063 45.8286 0.0000 173.7757 19 V 3.8941 7.5629 119.7939 62.8648 32.7521 174.5298 20 N 5.3294 8.9921 124.7867 51.4266 41.5188 173.5725 21 V 4.5356 8.7263 124.3746 61.4039 33.6147 174.1646 22 I 4.5301 8.5892 130.0809 59.2389 39.8391 175.2050 23 G 4.0390 8.9180 115.3661 45.6121 0.0000 172.4398 24 L 5.5209 8.7892 126.1715 53.0350 44.1045 176.3325 25 T 4.5196 8.7184 114.2370 61.8825 69.1655 174.2031 26 R 4.3754 7.9778 126.2780 57.1099 30.8839 174.9042 27 G 3.7907 8.7910 109.0868 44.1992 0.0000 173.0459 28 A 4.0578 8.6875 121.1199 54.5907 18.6806 177.8473 29 D 4.7132 7.8329 114.1175 53.5360 42.3672 176.0309 30 T 4.7141 8.2846 122.1807 61.6122 69.9755 172.8789 31 R 4.7061 9.1088 122.6893 53.9228 33.9226 174.2695 32 F 5.3315 8.6193 118.2796 57.8376 39.1258 175.4625 33 H 4.9774 8.8537 117.6891 56.5015 30.7007 174.0810 34 H 4.7372 7.6180 117.0075 54.9686 33.3005 172.1003 35 S 4.8259 8.2684 119.6204 56.3939 64.4306 172.4974 36 E 4.3739 8.8460 129.8055 54.9879 30.7543 175.0240 37 K 4.7805 8.5952 127.0066 55.8284 33.5055 176.2035 38 L 4.9808 9.1543 124.8540 53.1101 44.8459 176.0210 39 D 5.0471 9.4132 123.4376 52.4593 43.2967 175.9993 40 K 4.2306 9.0521 122.3766 58.3454 32.3618 177.2203 41 G 4.0277 9.2708 115.5828 45.1872 0.0000 173.5537 42 E 4.2181 8.0270 119.7987 56.3324 30.7243 176.0042 43 V 4.8610 8.3127 122.4035 61.0178 34.2072 174.2140 44 L 4.7240 9.0461 129.6563 53.2601 44.7031 174.8647 45 I 4.9672 8.4565 126.3729 59.6170 39.2852 174.6658 46 A 4.6837 8.8231 129.2193 50.0573 21.7345 175.4164 47 Q 4.7615 8.6481 121.2804 55.1065 30.2880 175.8973 48 F 4.5769 8.5286 120.4929 57.9955 38.5746 175.0802 49 T 4.7036 8.9263 111.2005 59.9958 72.0464 173.9167 50 E 4.1050 8.9697 121.3658 59.5468 29.5049 177.4127 51 H 4.5626 7.8154 114.0558 56.3344 29.9140 174.3102 52 T 5.3257 8.1658 116.9598 61.9160 70.7337 174.6110 53 S 5.0182 9.0246 119.7471 57.9666 64.8958 173.4346 54 A 5.1751 7.9934 121.6124 51.0308 22.6546 175.1214 55 I 4.9098 8.5843 120.9480 59.3358 40.5123 174.7265 56 K 4.5968 8.8656 128.0496 54.5304 34.6992 174.6658 57 V 4.7898 8.3942 126.5769 61.1997 33.6585 174.5479 58 R 4.5437 9.2741 127.3006 55.6343 32.8178 176.8495 59 G 4.0375 8.9554 108.6518 44.3131 0.0000 172.3272 60 K 4.5354 9.5536 120.4229 56.1346 32.9445 175.6033 61 A 5.1432 8.8479 128.0946 50.8818 23.4735 173.6666 62 Y 4.9825 9.1916 121.7746 56.0336 41.1629 174.5997 63 I 4.9466 8.2077 126.9817 59.5187 40.9607 174.2288 64 Q 5.0140 8.8491 126.0641 54.2917 31.6724 174.9115 65 T 4.8348 8.7166 112.9898 59.4749 72.5023 174.5838 66 R 3.7328 8.5671 120.8502 59.4972 29.8184 176.4440 67 H 4.6773 8.2455 112.4307 55.1958 29.4217 174.2781 68 G 3.7460 6.8132 106.4920 44.0389 0.0000 173.1613 69 V 4.8176 7.6124 112.2983 59.9148 35.0459 175.0795 70 I 4.2611 7.7550 119.4919 60.4163 41.9160 172.5893 71 E 5.2700 8.8053 126.9447 54.5405 32.0806 175.9688 72 S 4.6279 8.7191 118.9310 57.9366 65.1381 172.8765 73 E 4.9748 8.7201 119.9314 54.6636 32.6618 175.1942 74 G 4.3785 8.3873 109.4989 44.1133 0.0000 172.7267 75 K 4.1300 8.3375 117.9728 57.6237 31.9769 174.7012 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 5 T 8.17 4.36 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 1.22 0.00 0.00 6 N 7.86 4.83 0.00 2.78 2.83 0.00 0.00 7.14 6.75 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 7 S 8.82 4.54 0.00 4.15 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 8 D 8.56 4.79 0.00 2.72 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 9 F 7.96 5.41 0.00 3.02 2.97 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 10 V 8.76 4.62 2.03 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 0.61 0.00 0.00 0.82 0.00 0.00 11 V 8.71 4.84 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 1.11 0.00 0.00 1.15 0.00 0.00 12 I 9.19 4.92 1.86 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 1.08 0.54 0.90 0.00 0.00 13 K 9.22 5.07 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.69 4.44 1.36 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 0.00 0.00 0.00 15 L 8.93 4.72 0.00 1.63 1.72 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.74 0.00 1.92 1.89 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 2.19 2.34 0.00 17 D 8.57 4.45 0.00 2.58 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 18 G 8.76 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 19 V 7.56 3.89 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 0.91 0.00 0.00 1.04 0.00 0.00 20 N 8.99 5.33 0.00 2.60 2.56 0.00 0.00 6.23 7.16 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 21 V 8.73 4.54 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 0.99 0.00 0.00 0.89 0.00 0.00 22 I 8.59 4.53 1.36 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.29 -0.37 0.00 0.00 23 G 8.92 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 0.00 0.00 0.00 24 L 8.79 5.52 0.00 1.91 1.72 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.52 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 1.39 0.00 0.00 26 R 7.98 4.38 0.00 1.90 2.00 0.00 3.22 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.79 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 0.00 0.00 0.00 28 A 8.69 4.06 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 29 D 7.83 4.71 0.00 2.64 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 30 T 8.28 4.71 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 1.27 0.00 0.00 31 R 9.11 4.71 0.00 1.78 1.97 0.00 2.78 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.62 5.33 0.00 2.92 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 33 H 8.85 4.98 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.74 0.00 3.28 3.07 0.00 5.80 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 35 S 8.27 4.83 0.00 3.65 3.57 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 0.00 0.00 0.00 0.00 36 E 8.85 4.37 0.00 2.19 1.78 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 2.26 2.32 0.00 37 K 8.60 4.78 0.00 1.64 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.65 7.81 38 L 9.15 4.98 0.00 1.50 1.52 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.41 5.05 0.00 2.55 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 40 K 9.05 4.23 0.00 1.62 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 9.27 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 0.00 0.00 0.00 42 E 8.03 4.22 0.00 2.04 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 2.32 2.36 0.00 43 V 8.31 4.86 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.05 4.72 0.00 1.72 1.45 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.97 1.72 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 1.26 0.76 0.61 0.00 0.00 46 A 8.82 4.68 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.65 4.76 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.53 4.58 0.00 3.04 3.01 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 49 T 8.93 4.70 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 1.31 0.00 0.00 50 E 8.97 4.10 0.00 1.91 1.95 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 2.08 2.29 0.00 51 H 7.82 4.56 0.00 3.33 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.33 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 1.35 0.00 0.00 53 S 9.02 5.02 0.00 3.83 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 54 A 7.99 5.18 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 55 I 8.58 4.91 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.88 0.00 0.00 56 K 8.87 4.60 0.00 1.85 1.55 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.38 7.81 57 V 8.39 4.79 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 0.90 0.00 0.00 0.90 0.00 0.00 58 R 9.27 4.54 0.00 1.72 1.78 0.00 3.18 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.96 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 0.00 0.00 0.00 60 K 9.55 4.54 0.00 1.93 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.85 5.14 1.26 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 0.00 0.00 62 Y 9.19 4.98 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 63 I 8.21 4.95 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.87 0.00 0.00 64 Q 8.85 5.01 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 65 T 8.72 4.83 4.14 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 1.17 0.00 0.00 66 R 8.57 3.73 0.00 1.68 1.73 0.00 3.14 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 67 H 8.25 4.68 0.00 3.19 3.27 0.00 5.69 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 68 G 6.81 3.75 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 0.00 0.00 0.00 69 V 7.61 4.82 1.80 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 0.71 0.00 0.00 1.01 0.00 0.00 70 I 7.75 4.26 1.83 0.00 0.00 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 1.22 1.37 0.85 0.00 0.00 71 E 8.81 5.27 0.00 1.91 1.87 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 2.52 2.45 0.00 72 S 8.72 4.63 0.00 3.92 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 73 E 8.72 4.97 0.00 1.83 1.85 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 2.21 2.29 0.00 74 G 8.39 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 75 K 8.34 4.13 0.00 1.83 1.74 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.26 7.81