NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 S 4.2796 8.3344 115.2906 58.0819 63.6533 173.0072 31 N 4.5363 8.6270 126.3542 51.6724 38.5323 173.8568 32 A 4.3503 9.4127 131.3018 54.6908 19.6620 178.7439 33 R 4.0885 8.4095 114.2379 58.3983 30.1082 177.4670 34 F 4.3113 8.3325 115.2352 57.5842 39.4153 174.9388 35 Y 4.3940 7.8457 119.5834 55.8811 39.2803 175.5182 36 V 3.9129 8.3549 125.1365 61.7234 31.6081 175.8745 37 K 4.2356 8.5290 126.9817 55.7168 32.6586 176.3561 38 D 4.3731 8.4320 119.7670 55.3639 41.3626 175.8571 39 H 4.8316 8.1464 119.5397 54.0459 31.1563 173.0851 40 R 3.9296 8.4302 121.5061 55.8585 30.3991 175.9100 41 N 4.3184 8.7281 123.7741 54.2619 39.2819 174.2425 42 K 4.4305 8.5598 121.9928 56.2158 34.3250 176.3562 43 A 4.3014 8.0037 121.7710 51.4325 19.3021 177.1896 44 M 4.2379 8.3130 121.3226 55.5380 32.9397 176.7193 45 I 3.9541 8.0490 121.8666 63.4325 38.0600 175.9323 46 N 4.5755 7.4051 117.2678 52.5699 39.4110 174.3574 47 L 4.6040 8.3649 123.9019 55.3575 43.3782 176.0732 48 H 4.8834 8.0612 113.5644 56.7234 35.1992 173.5490 49 I 3.8149 8.1955 120.9027 62.4566 38.0512 176.1840 50 Q 3.2548 8.7028 124.1795 57.1614 26.0091 175.2342 51 K 4.2152 7.6793 114.1474 57.8991 32.8142 178.2067 52 D 4.5289 7.9056 117.7877 54.5504 41.3485 175.4441 53 N 4.7492 7.8597 119.5205 51.2636 39.4553 173.2249 54 P 4.2803 0.0000 0.0000 64.8928 31.7951 176.4614 55 K 4.1384 8.0187 120.1442 55.5254 33.7784 174.9388 56 I 4.2071 8.3272 128.7352 60.4691 37.4698 175.7809 57 V 4.5537 8.2339 124.6701 61.1259 34.3046 174.1164 58 H 4.6516 8.7128 122.4379 53.7162 31.4492 173.1836 59 A 4.4627 7.7618 125.0032 50.2718 21.5175 175.3598 60 F 4.9775 8.5007 120.8881 55.6280 42.6510 174.2662 61 D 4.8463 8.5878 123.4739 53.2170 42.1481 177.4261 62 M 4.0936 8.4593 123.6461 58.6601 32.2984 178.4577 63 E 3.9203 8.3878 116.6554 59.5802 29.6302 177.9424 64 D 4.6268 8.2366 116.6853 55.3461 41.4821 177.0102 65 L 4.2901 7.8262 119.6270 54.3138 42.9235 178.0996 66 G 4.0438 8.0911 115.2500 45.9091 0.0000 174.5376 67 D 4.6517 8.6310 118.5227 56.5475 42.1348 176.7858 68 K 4.9693 7.7085 117.4568 54.9403 35.4636 175.1502 69 A 4.5022 9.2627 128.7487 49.8951 22.5605 174.9112 70 V 4.4572 7.9908 121.1263 61.4025 34.2088 173.5552 71 Y 4.9217 8.9300 126.6890 56.2279 40.1192 175.0272 72 C 4.4404 8.5686 125.1732 59.2487 32.1917 173.4179 73 R 4.6077 8.6867 123.1003 55.9435 30.1621 175.6879 74 C 4.7737 7.9357 112.4547 56.8782 31.0656 174.3752 75 W 3.0620 8.1250 118.6459 58.0395 25.7705 174.7698 76 R 4.5980 7.4015 113.3502 55.8824 31.9909 176.5706 77 S 4.5025 8.0651 113.8420 57.9921 62.8619 174.9385 78 K 4.2259 8.9777 127.0794 58.5687 32.1152 177.9598 79 K 4.5943 8.2032 117.9578 55.7131 32.3572 175.4311 80 F 3.9211 7.7968 120.7592 58.4496 39.5353 173.5548 81 P 2.9700 0.0000 0.0000 62.4334 31.3928 175.6352 82 F 4.7140 7.4203 118.2348 56.4244 40.1338 174.9853 83 C 4.3828 8.7573 125.2447 59.2660 31.8554 173.0849 84 D 4.8095 8.9380 124.5845 52.9558 39.7140 176.8180 85 G 3.7687 8.3898 107.8707 45.7090 0.0000 175.3527 86 A 4.0394 8.3160 122.4503 55.2766 18.1624 179.2959 87 H 4.2403 8.3251 113.6145 59.2473 28.2286 177.6968 88 T 3.9856 7.8274 112.4864 64.5362 68.5376 176.8479 89 K 4.2128 7.8970 122.1888 58.8823 32.2308 178.4772 90 H 4.1394 8.0975 118.0260 59.5267 29.7885 177.0020 91 N 4.3343 8.6605 118.7998 56.2684 37.9029 177.3093 92 E 4.0051 8.2058 119.1009 59.5135 29.5172 179.0582 93 E 4.0921 8.2991 118.9782 58.2181 29.6851 178.1993 94 T 4.4826 7.8624 107.1592 60.6181 70.0568 175.4790 95 G 3.8113 7.9336 109.5803 45.7413 0.0000 173.0964 96 D 4.7667 7.4410 119.9386 53.6393 42.2184 175.3924 97 N 5.1041 8.1956 116.0676 52.2979 37.4282 174.9687 98 V 4.0787 8.2221 111.2166 62.3699 32.8441 175.2208 99 G 4.1352 7.9030 107.9353 44.7501 0.0000 170.4379 100 P 4.8571 0.0000 0.0000 62.2552 33.1557 175.0596 101 L 4.7548 8.8175 121.8560 53.3506 44.1966 174.7915 102 I 4.9723 8.4628 126.6039 59.5997 39.6408 174.8548 103 I 4.7291 8.7444 127.6341 59.3071 39.8220 174.8225 104 K 5.1183 8.8429 127.5575 55.6863 35.7240 176.9611 105 K 4.2874 9.2467 124.0772 55.6268 32.9919 177.0071 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 30 S 8.33 4.28 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.63 4.54 0.00 3.00 3.01 0.00 0.00 7.10 7.50 0.00 0.00 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 A 9.41 4.35 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 33 R 8.41 4.09 0.00 1.90 1.86 0.00 3.28 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 1.65 1.63 0.00 34 F 8.33 4.31 0.00 3.13 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.39 0.00 3.07 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 8.35 3.91 2.14 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 0.80 0.00 0.00 0.93 0.00 0.00 37 K 8.53 4.24 0.00 1.82 1.77 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 38 D 8.43 4.37 0.00 2.65 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 39 H 8.15 4.83 0.00 3.24 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.43 3.93 0.00 1.80 1.90 0.00 3.25 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 41 N 8.73 4.32 0.00 2.67 2.70 0.00 0.00 7.01 6.68 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 42 K 8.56 4.43 0.00 1.77 1.81 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.58 7.81 43 A 8.00 4.30 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 44 M 8.31 4.24 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 45 I 8.05 3.95 1.56 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 1.27 0.43 0.74 0.00 0.00 46 N 7.41 4.58 0.00 1.69 2.21 0.00 0.00 6.84 7.78 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 47 L 8.36 4.60 0.00 1.67 1.68 0.94 1.00 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 48 H 8.06 4.88 0.00 3.02 3.27 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.20 3.81 2.02 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 1.28 0.65 0.92 0.00 0.00 50 Q 8.70 3.25 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 51 K 7.68 4.22 0.00 1.70 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.36 7.81 52 D 7.91 4.53 0.00 2.66 2.70 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 53 N 7.86 4.75 0.00 2.78 2.90 0.00 0.00 7.15 7.25 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 54 P 0.00 4.28 0.00 2.20 2.15 0.00 3.83 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 1.97 1.94 0.00 55 K 8.02 4.14 0.00 1.70 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 I 8.33 4.21 2.27 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 1.30 0.00 0.00 57 V 8.23 4.55 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 0.81 0.00 0.00 1.01 0.00 0.00 58 H 8.71 4.65 0.00 2.93 2.74 0.00 5.89 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 59 A 7.76 4.46 1.04 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 60 F 8.50 4.98 0.00 3.01 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 61 D 8.59 4.85 0.00 2.77 2.93 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 62 M 8.46 4.09 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 63 E 8.39 3.92 0.00 1.96 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 0.00 2.35 2.45 0.00 64 D 8.24 4.63 0.00 2.88 2.80 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 65 L 7.83 4.29 0.00 1.85 1.60 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.09 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 67 D 8.63 4.65 0.00 2.57 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 68 K 7.71 4.97 0.00 1.66 1.55 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.40 7.81 69 A 9.26 4.50 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 70 V 7.99 4.46 1.99 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 1.03 0.00 0.00 0.84 0.00 0.00 71 Y 8.93 4.92 0.00 2.86 2.54 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 72 C 8.57 4.44 0.00 2.97 2.53 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 73 R 8.69 4.61 0.00 2.00 1.95 0.00 3.25 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 74 C 7.94 4.77 0.00 3.09 3.20 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 0.00 0.00 0.00 0.00 75 W 8.12 3.06 0.00 3.38 3.20 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 0.00 0.00 0.00 0.00 76 R 7.40 4.60 0.00 1.84 1.98 0.00 3.38 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 77 S 8.07 4.50 0.00 3.96 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 78 K 8.98 4.23 0.00 1.96 1.91 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 K 8.20 4.59 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.38 7.81 80 F 7.80 3.92 0.00 3.18 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 81 P 0.00 2.97 0.00 1.51 1.08 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.65 0.00 82 F 7.42 4.71 0.00 3.09 2.84 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 C 8.76 4.38 0.00 2.90 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 84 D 8.94 4.81 0.00 2.79 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 85 G 8.39 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 0.00 0.00 0.00 86 A 8.32 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.33 4.24 0.00 3.41 3.65 0.00 5.47 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.83 3.99 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 1.19 0.00 0.00 89 K 7.90 4.21 0.00 2.01 2.07 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.35 7.81 90 H 8.10 4.14 0.00 3.34 3.54 0.00 5.78 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 91 N 8.66 4.33 0.00 2.84 2.95 0.00 0.00 6.85 7.34 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 92 E 8.21 4.01 0.00 2.22 2.21 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 2.50 2.35 0.00 93 E 8.30 4.09 0.00 2.03 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 2.40 0.00 94 T 7.86 4.48 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 95 G 7.93 3.81 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 0.00 0.00 0.00 96 D 7.44 4.77 0.00 2.57 2.84 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 97 N 8.20 5.10 0.00 2.83 2.82 0.00 0.00 5.96 7.68 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 98 V 8.22 4.08 2.14 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 0.78 0.00 0.00 1.10 0.00 0.00 99 G 7.90 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 0.00 0.00 0.00 0.00 100 P 0.00 4.86 0.00 2.06 2.07 0.00 3.59 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 101 L 8.82 4.75 0.00 1.79 1.61 0.94 1.41 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 0.00 102 I 8.46 4.97 1.87 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 1.31 0.76 0.93 0.00 0.00 103 I 8.74 4.73 2.03 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 1.51 1.15 0.97 0.00 0.00 104 K 8.84 5.12 0.00 1.68 1.71 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.40 7.81 105 K 9.25 4.29 0.00 1.36 1.61 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.25 7.81