NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1465 8.2549 120.8599 55.8735 32.0611 175.6692 2 R 4.1082 7.6585 124.0864 54.2330 29.8538 174.8963 3 R 3.9549 9.3633 125.5442 57.7570 31.3913 173.8008 4 K 3.8137 8.6336 119.6498 56.0755 27.9766 175.0309 5 K 4.8612 7.7381 119.3659 55.2391 36.1991 176.5026 6 R 4.5924 8.3025 119.0909 55.4831 33.5217 174.7761 7 T 4.8692 8.2327 113.4458 59.6667 68.5123 173.8451 8 S 4.5547 7.4318 116.5909 57.8264 67.5274 174.4397 9 I 4.0405 8.3150 126.4255 60.6772 37.8261 175.5047 10 E 4.6377 8.3378 124.7399 53.7603 33.6363 175.9197 11 T 3.8283 8.6505 122.6935 67.2767 68.6006 176.0107 12 N 4.3110 8.2756 118.0410 56.3814 38.9036 176.9179 13 I 3.5581 7.2133 120.5211 63.7847 38.0450 177.5594 14 R 3.3541 7.7337 119.6196 59.4627 29.7758 178.9620 15 V 3.7019 7.7759 112.4886 63.8995 31.4033 178.5116 16 A 4.1591 7.7475 120.2342 54.9148 17.6018 179.7385 17 L 3.7591 7.9362 118.4220 57.4601 41.7570 179.2938 18 E 4.1211 7.5660 117.6826 59.5122 29.5735 179.0927 19 K 4.2291 8.6410 120.7881 58.3835 31.7564 178.4444 20 S 4.3348 7.8486 112.6614 61.5483 61.9706 176.0708 21 F 4.1741 7.9709 123.1112 60.9354 39.4021 176.9881 22 L 4.2149 7.6938 115.5733 57.5238 41.3828 178.8364 23 E 4.2703 7.7213 117.8579 56.8071 29.7227 175.7114 24 N 4.8465 7.5780 114.3768 50.9914 40.1448 175.1320 25 Q 2.5200 8.5986 122.4333 57.8698 29.1472 176.9075 26 K 4.2397 7.2893 118.5420 53.8460 31.7688 173.1909 27 P 4.8894 0.0000 0.0000 62.2294 34.1760 179.3257 28 T 4.0553 8.6051 114.4491 66.9217 67.8601 175.3298 29 S 4.1796 9.5288 123.1267 62.7672 64.0278 175.1421 30 E 4.1531 8.0907 120.3865 59.3752 29.4270 178.7231 31 E 4.1148 8.1863 119.0304 59.0626 29.7824 178.5366 32 I 3.7436 7.9157 120.1574 64.9291 37.2230 178.0550 33 T 3.8603 7.9884 115.5681 67.2336 68.0490 176.2535 34 M 4.1016 7.7014 119.0422 58.4726 31.5627 179.0739 35 I 3.7113 8.0819 119.7963 64.3592 37.1974 178.3058 36 A 3.8689 7.8786 121.3701 55.1786 17.9295 179.1489 37 D 4.3366 7.7602 115.3258 57.3148 41.3319 177.7313 38 Q 4.1181 7.5613 119.2663 57.8510 29.4890 176.8728 39 L 4.6866 7.5395 115.2385 55.4552 39.9546 179.2943 40 N 4.9150 8.4597 107.8857 52.3288 39.0158 172.2510 41 M 4.4783 7.7571 118.9107 53.3515 34.5864 174.9961 42 E 4.2734 8.2972 123.5374 55.8665 30.6210 177.7091 43 K 4.1412 8.4427 123.0843 58.3372 32.6294 178.9648 44 E 3.9224 8.1895 119.6078 59.3708 29.4439 178.5511 45 V 3.6195 7.8686 117.4487 66.3062 31.4184 177.5880 46 I 3.5758 7.4005 118.6488 64.5887 37.0228 178.5324 47 R 4.0971 7.7693 118.5888 59.3650 29.7952 179.4050 48 V 3.5615 7.7518 117.4040 65.7211 31.6273 177.6374 49 W 3.7281 8.5433 128.5267 60.6336 30.3513 177.8663 50 F 4.5880 8.8369 117.9264 60.8400 38.0709 177.1946 51 C 4.1244 8.0571 117.6285 62.3448 31.1741 174.8758 52 N 4.4140 7.7331 118.6541 56.4307 38.2548 176.9319 53 R 3.6617 7.1162 119.9619 58.8347 29.6139 178.2682 54 R 4.1481 7.3379 118.6907 59.3281 30.0026 177.2117 55 Q 4.3199 7.3110 112.9773 56.6173 29.1544 176.5096 56 K 4.4172 7.2940 117.5924 55.6325 32.5746 175.8604 57 E 3.8774 7.9923 125.8812 58.6900 30.5614 177.8109 58 K 4.5911 7.4387 119.7503 54.5475 32.9823 174.6104 59 R 4.2457 8.0014 119.1479 55.5188 31.9206 175.5810 60 I 4.2819 7.8024 114.9235 61.3614 40.9873 175.2002 61 D 4.6320 8.2179 129.7736 53.8270 41.4184 176.9285 62 I 4.0323 8.2517 124.2998 61.3217 37.3914 175.9064 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 R 8.25 4.15 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 2 R 7.66 4.11 0.00 1.92 1.88 0.00 3.41 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 3 R 9.36 3.95 0.00 1.77 1.94 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 K 8.63 3.81 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.46 7.81 5 K 7.74 4.86 0.00 1.86 1.74 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.41 7.81 6 R 8.30 4.59 0.00 1.79 1.86 0.00 3.08 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 7 T 8.23 4.87 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 1.21 0.00 0.00 8 S 7.43 4.55 0.00 3.81 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 9 I 8.31 4.04 1.88 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 1.33 0.82 0.91 0.00 0.00 10 E 8.34 4.64 0.00 1.90 1.68 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 2.23 2.27 0.00 11 T 8.65 3.83 4.21 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 1.19 0.00 0.00 12 N 8.28 4.31 0.00 2.81 2.94 0.00 0.00 6.83 7.99 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 13 I 7.21 3.56 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.83 0.00 0.00 14 R 7.73 3.35 0.00 1.84 1.98 0.00 3.14 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 1.63 1.69 0.00 15 V 7.78 3.70 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 0.92 0.00 0.00 0.92 0.00 0.00 16 A 7.75 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.76 0.00 0.71 0.54 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.57 4.12 0.00 2.47 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 0.00 2.47 2.39 0.00 19 K 8.64 4.23 0.00 1.90 1.95 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 20 S 7.85 4.33 0.00 4.39 4.44 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 21 F 7.97 4.17 0.00 3.28 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 22 L 7.69 4.21 0.00 1.96 1.83 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.72 4.27 0.00 2.05 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 0.00 2.32 2.47 0.00 24 N 7.58 4.85 0.00 2.82 2.78 0.00 0.00 7.12 7.43 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 25 Q 8.60 2.52 0.00 1.62 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.27 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 26 K 7.29 4.24 0.00 1.50 1.55 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.29 7.81 27 P 0.00 4.89 0.00 2.36 2.26 0.00 3.38 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 28 T 8.61 4.06 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 1.30 0.00 0.00 29 S 9.53 4.18 0.00 3.85 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 30 E 8.09 4.15 0.00 2.07 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 2.41 2.43 0.00 31 E 8.19 4.11 0.00 2.33 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 0.00 2.43 2.54 0.00 32 I 7.92 3.74 1.97 0.00 0.00 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 1.67 1.01 0.95 0.00 0.00 33 T 7.99 3.86 4.45 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 1.22 0.00 0.00 34 M 7.70 4.10 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 35 I 8.08 3.71 1.83 0.00 0.00 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 1.52 1.05 0.80 0.00 0.00 36 A 7.88 3.87 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 37 D 7.76 4.34 0.00 2.80 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 38 Q 7.56 4.12 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 L 7.54 4.69 0.00 1.56 0.86 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.46 4.91 0.00 2.63 2.69 0.00 0.00 6.66 7.64 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 41 M 7.76 4.48 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 42 E 8.30 4.27 0.00 2.23 1.91 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 2.30 2.39 0.00 43 K 8.44 4.14 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.47 7.81 44 E 8.19 3.92 0.00 2.10 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 0.00 2.40 2.34 0.00 45 V 7.87 3.62 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 1.01 0.00 0.00 1.01 0.00 0.00 46 I 7.40 3.58 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.92 0.28 0.00 0.00 47 R 7.77 4.10 0.00 1.86 2.06 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 48 V 7.75 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 49 W 8.54 3.73 0.00 3.49 3.18 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 0.00 0.00 0.00 0.00 50 F 8.84 4.59 0.00 3.27 2.94 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 51 C 8.06 4.12 0.00 3.19 3.05 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 0.00 0.00 0.00 52 N 7.73 4.41 0.00 2.54 2.46 0.00 0.00 6.70 8.21 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 53 R 7.12 3.66 0.00 0.73 1.45 0.00 2.80 0.00 0.00 2.65 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 54 R 7.34 4.15 0.00 2.01 2.09 0.00 3.36 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 55 Q 7.31 4.32 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 56 K 7.29 4.42 0.00 1.75 1.74 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 57 E 7.99 3.88 0.00 2.01 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 0.00 2.85 2.64 0.00 58 K 7.44 4.59 0.00 1.68 1.68 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.43 7.81 59 R 8.00 4.25 0.00 1.75 1.62 0.00 3.21 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 60 I 7.80 4.28 1.86 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 1.41 0.78 0.91 0.00 0.00 61 D 8.22 4.63 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.03 1.93 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 1.30 0.52 1.17 0.00 0.00