NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5601 8.3193 117.1015 57.7710 63.8919 175.8660 6 C 4.7411 8.2718 114.4088 56.7581 33.6064 172.7648 7 A 3.9614 8.4702 124.1040 55.1193 18.3837 180.9252 8 Y 3.9238 8.0399 118.0730 60.9942 38.8196 177.8000 9 E 4.0406 8.2721 119.3397 58.4189 29.5908 178.3610 10 L 3.9474 7.1298 119.6511 58.2811 42.5991 178.6052 11 I 3.7845 7.5428 119.6690 64.2579 36.8173 178.4634 12 K 3.8498 7.6606 119.5059 58.6673 32.1428 178.0533 13 S 4.5008 7.6790 113.0924 58.8664 63.5529 176.0150 14 L 3.9914 7.6409 123.9468 57.5372 41.3378 177.4144 15 P 4.3227 0.0000 0.0000 65.6194 31.3630 178.5249 16 A 4.0255 8.0810 119.0789 55.0872 18.4191 179.6844 17 K 3.9354 7.8944 117.2996 59.5938 32.0998 179.5797 18 L 4.0784 7.9316 118.9150 57.4352 41.5135 179.0925 19 E 3.7458 8.2649 119.6800 58.9275 29.4380 178.5461 20 Q 3.8756 8.2371 119.8021 59.1618 29.1716 178.1148 21 L 3.9408 7.7231 119.2187 57.9897 41.7220 179.3147 22 A 3.9813 7.9152 120.3898 55.5332 18.2521 179.7540 23 Q 3.9694 8.1092 116.3419 58.7423 28.7782 178.4989 24 E 3.9162 8.3603 119.9099 59.9139 29.6040 179.4509 25 T 3.9527 7.9938 112.9201 65.0270 67.4143 176.4440 26 Q 3.9799 8.1795 119.9409 58.9027 28.5801 178.4080 27 A 4.1630 8.2123 120.7438 55.5252 18.7155 179.3163 28 T 3.9479 8.1032 111.5311 65.4314 67.2651 176.5368 29 I 3.8000 8.0826 120.8740 64.3879 37.3946 178.0774 30 Q 4.2406 8.0451 119.2319 58.4918 28.2379 177.6740 31 T 4.1533 7.5757 107.7559 61.8560 68.6003 174.0520 32 L 4.6797 7.5089 121.4257 54.0579 43.3717 176.8315 33 M 4.5109 8.2780 121.8056 53.4456 31.5574 173.5010 34 I 4.3191 7.7854 121.2760 59.3904 39.1167 175.8386 35 A 4.1818 8.5668 128.3969 54.3318 19.4247 177.7836 36 D 4.3701 7.9807 115.7904 54.0787 42.2094 175.1783 37 P 4.2837 0.0000 0.0000 65.7557 31.3705 178.3834 38 N 4.4297 8.5182 115.3971 55.9060 38.4252 177.8189 39 V 3.5611 7.8385 119.3207 66.0407 31.7515 177.5893 40 N 4.3073 8.1509 116.3013 56.2972 38.3974 177.3270 41 K 3.9876 7.9535 120.7777 59.4710 32.2737 178.6765 42 D 4.3842 8.3420 119.5220 57.5259 40.7946 178.8659 43 L 4.1250 8.2802 119.6232 57.4819 41.5620 179.6396 44 R 3.9238 8.1177 118.8973 59.3971 29.8538 178.4495 45 A 4.2407 7.9801 119.5028 55.0095 18.6096 179.1233 46 F 4.3506 8.4754 119.5028 61.6879 39.3682 177.2209 47 C 4.1612 8.4894 116.4705 62.8946 27.9298 175.8513 48 E 4.0332 8.2920 119.7620 58.6476 28.9738 179.0157 49 F 4.0809 8.0008 121.3567 61.1731 39.5599 177.2049 50 L 3.6074 7.5826 118.1459 57.7007 41.5175 179.5470 51 T 3.7912 7.5034 115.9365 66.5578 68.4295 176.9478 52 V 3.6532 7.6166 120.1481 65.9682 31.3434 177.6512 53 Q 3.6627 7.7750 119.4602 59.4051 28.7057 177.9915 54 H 4.1137 7.9167 118.6538 59.4669 29.8418 177.3518 55 Q 3.9362 7.9209 119.5122 58.8064 28.3878 178.9335 56 R 3.8760 8.0128 119.2072 58.9675 30.0492 178.9350 57 A 3.9389 7.7574 120.5430 55.1628 18.3577 178.9316 58 Y 3.9655 8.2502 118.4660 61.0407 38.8387 178.7046 59 R 3.8346 8.3253 118.8546 59.1272 30.0606 178.9374 60 A 3.9623 8.3419 121.2458 55.3720 18.3183 179.8508 61 T 3.7920 8.2832 108.7871 64.8017 68.3980 176.6799 62 N 4.1109 8.0767 119.3980 56.2778 38.3668 177.6428 63 S 3.8512 7.8997 115.0688 61.0252 63.1535 176.4340 64 L 4.0984 7.5337 123.0813 58.0915 41.8434 178.4929 65 L 4.3661 7.8159 115.6481 56.1343 41.6393 178.3207 66 I 4.3869 7.0822 119.0724 61.3083 37.7736 176.4139 67 K 4.1626 7.8060 120.0339 55.1388 32.0795 175.2620 68 P 4.2037 0.0000 0.0000 66.5021 30.8891 178.4538 69 R 3.9813 7.9457 116.9893 58.4247 30.0338 179.1458 70 V 3.5566 7.6312 117.6785 65.9209 31.7332 177.7308 71 A 4.1798 8.2790 120.4935 55.1945 18.1982 179.4468 72 A 3.8730 8.1430 119.0143 55.2821 18.3134 179.7800 73 A 3.9774 8.0650 119.3250 55.2217 18.4466 179.7088 74 L 4.1127 8.2643 116.9788 56.8947 41.5877 178.6515 75 R 4.3713 7.5880 115.7784 55.3678 30.4192 177.1660 76 G 3.9182 7.5695 107.0359 45.7084 0.0000 173.8628 77 E 4.0986 7.9977 124.4990 56.4965 29.3435 176.7882 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 S 8.32 4.56 0.00 3.65 3.11 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 0.00 0.00 0.00 0.00 6 C 8.27 4.74 0.00 3.21 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 7 A 8.47 3.96 1.41 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 8 Y 8.04 3.92 0.00 3.08 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 9 E 8.27 4.04 0.00 2.20 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 2.42 2.46 0.00 10 L 7.13 3.95 0.00 1.79 1.66 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.54 3.78 1.72 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 1.36 0.80 0.79 0.00 0.00 12 K 7.66 3.85 0.00 1.29 1.66 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.30 7.81 13 S 7.68 4.50 0.00 4.04 4.22 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 14 L 7.64 3.99 0.00 1.99 1.74 0.90 1.02 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 15 P 0.00 4.32 0.00 2.45 2.46 0.00 3.81 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 2.18 0.00 16 A 8.08 4.03 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 17 K 7.89 3.94 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 18 L 7.93 4.08 0.00 1.94 1.71 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.26 3.75 0.00 1.64 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 0.00 2.31 2.05 0.00 20 Q 8.24 3.88 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 21 L 7.72 3.94 0.00 1.92 1.73 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.92 3.98 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 23 Q 8.11 3.97 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 24 E 8.36 3.92 0.00 2.19 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 2.33 2.55 0.00 25 T 7.99 3.95 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 1.38 0.00 0.00 26 Q 8.18 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 27 A 8.21 4.16 1.35 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 0.00 0.00 0.00 28 T 8.10 3.95 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 1.29 0.00 0.00 29 I 8.08 3.80 2.13 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 1.56 0.84 0.95 0.00 0.00 30 Q 8.05 4.24 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 31 T 7.58 4.15 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 1.31 0.00 0.00 32 L 7.51 4.68 0.00 1.80 1.62 0.96 0.80 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 33 M 8.28 4.51 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 34 I 7.79 4.32 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.98 0.00 0.00 35 A 8.57 4.18 1.27 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 36 D 7.98 4.37 0.00 2.72 2.57 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 37 P 0.00 4.28 0.00 2.20 2.08 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 38 N 8.52 4.43 0.00 2.87 2.85 0.00 0.00 6.63 7.54 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 39 V 7.84 3.56 2.20 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 1.15 0.00 0.00 0.92 0.00 0.00 40 N 8.15 4.31 0.00 2.96 2.87 0.00 0.00 6.70 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 41 K 7.95 3.99 0.00 2.05 1.93 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 D 8.34 4.38 0.00 2.86 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 43 L 8.28 4.12 0.00 1.71 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.12 3.92 0.00 2.16 2.09 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 45 A 7.98 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.48 4.35 0.00 3.23 3.28 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 47 C 8.49 4.16 0.00 3.34 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 48 E 8.29 4.03 0.00 2.21 2.00 0.00 0.00 0.00 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 2.40 0.00 49 F 8.00 4.08 0.00 3.09 2.96 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 50 L 7.58 3.61 0.00 1.72 1.56 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.50 3.79 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 1.16 0.00 0.00 52 V 7.62 3.65 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 0.90 0.00 0.00 0.90 0.00 0.00 53 Q 7.77 3.66 0.00 1.46 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 54 H 7.92 4.11 0.00 3.18 3.37 0.00 5.64 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 55 Q 7.92 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 56 R 8.01 3.88 0.00 1.95 1.93 0.00 3.04 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 57 A 7.76 3.94 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 58 Y 8.25 3.97 0.00 2.92 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 59 R 8.33 3.83 0.00 1.94 1.94 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 60 A 8.34 3.96 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 61 T 8.28 3.79 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 1.17 0.00 0.00 62 N 8.08 4.11 0.00 2.75 2.75 0.00 0.00 7.01 7.23 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 63 S 7.90 3.85 0.00 3.80 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 64 L 7.53 4.10 0.00 1.76 1.77 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.82 4.37 0.00 1.59 1.77 0.43 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.08 4.39 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.91 0.00 0.00 67 K 7.81 4.16 0.00 1.93 1.79 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 68 P 0.00 4.20 0.00 2.24 2.34 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 69 R 7.95 3.98 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 70 V 7.63 3.56 2.27 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 1.08 0.00 0.00 0.94 0.00 0.00 71 A 8.28 4.18 1.35 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 0.00 0.00 0.00 72 A 8.14 3.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.98 1.41 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 74 L 8.26 4.11 0.00 1.92 1.96 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.59 4.37 0.00 1.73 2.00 0.00 3.01 0.00 0.00 2.96 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 76 G 7.57 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 77 E 8.00 4.10 0.00 2.06 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 2.34 2.33 0.00