NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9303 8.3093 119.4921 57.5330 40.1287 173.5544 2 E 4.4917 8.6087 119.5177 54.5265 32.4575 173.7534 3 N 4.6225 8.6258 120.2937 53.3110 38.5270 175.6615 4 R 4.6695 8.2024 123.4384 55.8219 30.5300 178.9246 5 V 3.6142 8.6344 120.8412 66.9631 31.4198 177.1591 6 A 4.3186 8.0395 121.3996 54.6499 18.1482 179.0815 7 E 3.9235 8.1275 117.2275 59.3922 29.8284 179.0298 8 K 4.2056 7.9372 117.5184 59.0987 31.6237 179.4445 9 Q 4.1240 8.2224 118.7343 58.9120 28.5293 178.8797 10 K 3.9969 7.8765 119.0710 59.4077 31.9017 179.0357 11 L 3.7823 7.4253 118.6979 58.2208 42.0430 178.6708 12 F 4.3508 8.0938 115.4197 59.1910 39.1604 176.9319 13 Q 4.4764 7.8450 116.0605 54.9169 29.1370 175.4351 14 E 3.8455 7.3224 121.8836 56.4191 30.3650 177.6514 15 D 4.6797 8.5532 129.2989 54.2527 39.4121 175.4306 16 N 4.6081 7.9163 114.0234 52.3290 38.1398 176.3920 17 G 3.8959 8.0324 105.1529 46.3099 0.0000 173.7031 18 L 4.4039 7.8100 119.7188 52.6089 42.8283 175.1775 19 P 4.4969 0.0000 0.0000 62.0727 32.5569 177.4397 20 V 3.6292 8.6009 119.8474 65.3840 30.9735 177.4823 21 H 4.5954 8.1600 112.9380 56.5375 28.9218 175.3723 22 L 4.6530 8.0485 119.1497 54.4227 43.6843 178.2164 23 K 3.9067 7.6731 118.2321 58.7606 32.0863 177.5770 24 G 3.7295 8.2858 106.1141 46.6073 0.0000 173.9762 25 G 3.6318 7.2792 106.4872 44.6566 0.0000 173.7515 26 A 4.3263 8.5019 121.1539 54.9477 18.3971 180.1921 27 T 3.9051 7.8847 108.4077 64.9575 68.9749 176.3001 28 D 4.4172 8.2237 121.3111 57.3036 40.7512 178.3135 29 N 4.4701 7.7436 116.2400 56.6953 39.0117 177.0186 30 I 3.7413 7.5270 114.7303 63.8904 37.6719 178.0598 31 L 3.9510 8.1888 120.9919 57.6849 41.4471 178.5379 32 Y 4.2777 8.3933 119.6468 61.2948 38.8046 178.7865 33 R 3.5042 8.2794 118.7572 58.8156 30.0617 179.4203 34 V 3.5338 8.1090 118.7254 66.1413 31.5757 178.1729 35 T 3.8416 8.2743 115.7927 67.1258 68.3875 176.5760 36 M 4.0159 8.0225 120.6209 58.4776 31.8369 179.1450 37 T 3.8017 7.7038 115.7046 66.6343 68.7225 176.6844 38 L 4.0078 7.9312 120.8074 57.9725 41.5725 179.4023 39 C 4.1008 8.1540 116.4583 62.9193 28.0766 176.2924 40 L 4.0870 8.0148 120.5207 57.6243 41.2026 179.7379 41 G 3.7479 8.6129 106.2036 47.9855 0.0000 175.9802 42 G 3.8557 8.6928 109.1454 47.6531 0.0000 175.9042 43 T 3.9890 8.1725 118.1628 66.3980 68.4397 176.8229 44 L 4.0681 8.2602 121.1332 57.8798 41.6957 178.7640 45 Y 4.5409 8.5245 120.1942 61.0176 38.6653 178.4687 46 S 3.9506 8.5999 115.5014 61.4038 63.0343 176.3869 47 L 3.9813 8.1167 122.5939 57.5545 41.3203 178.8625 48 Y 4.2067 8.1162 119.4365 61.0338 38.7502 177.7582 49 C 3.9660 7.9677 117.5748 62.7262 28.2509 175.7874 50 L 3.9136 8.1864 122.2160 58.0781 41.3734 179.2342 51 G 3.7037 7.7537 104.1949 47.6321 0.0000 174.8712 52 W 4.4389 8.0419 131.3547 60.2193 30.4420 177.9811 53 A 3.6643 7.8119 118.9345 54.8135 17.7385 179.4363 54 S 3.9955 7.8245 113.1332 59.9173 63.1931 174.5701 55 F 4.6355 7.4197 119.5568 54.3689 40.6796 173.6544 56 P 4.3001 0.0000 0.0000 64.0503 30.6371 176.0193 57 H 4.8581 8.1585 122.8198 52.4169 28.1383 175.0422 58 K 4.1182 7.8996 121.3464 57.3964 31.7369 176.0498 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 F 8.31 4.93 0.00 2.91 3.06 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 0.00 0.00 0.00 0.00 2 E 8.61 4.49 0.00 2.12 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 2.38 0.00 3 N 8.63 4.62 0.00 2.74 2.84 0.00 0.00 6.89 7.65 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 4 R 8.20 4.67 0.00 2.00 2.12 0.00 3.23 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 5 V 8.63 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 6 A 8.04 4.32 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 7 E 8.13 3.92 0.00 2.06 2.18 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 2.38 2.40 0.00 8 K 7.94 4.21 0.00 2.18 2.08 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.64 7.81 9 Q 8.22 4.12 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 10 K 7.88 4.00 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.60 7.81 11 L 7.43 3.78 0.00 1.48 1.55 0.67 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.09 4.35 0.00 3.22 3.12 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 13 Q 7.85 4.48 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 14 E 7.32 3.85 0.00 2.06 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 2.29 2.23 0.00 15 D 8.55 4.68 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.61 0.00 2.82 2.86 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.03 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 0.00 0.00 0.00 18 L 7.81 4.40 0.00 1.83 1.56 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.20 2.15 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 20 V 8.60 3.63 2.10 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 0.84 0.00 0.00 0.91 0.00 0.00 21 H 8.16 4.60 0.00 3.25 3.41 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.05 4.65 0.00 1.53 1.60 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.67 3.91 0.00 2.06 2.11 0.00 2.05 0.00 0.00 1.93 0.00 0.00 3.14 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.53 7.81 24 G 8.29 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.28 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 26 A 8.50 4.33 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 27 T 7.88 3.91 4.28 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 1.23 0.00 0.00 28 D 8.22 4.42 0.00 2.98 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 29 N 7.74 4.47 0.00 2.81 3.03 0.00 0.00 6.98 7.59 0.00 0.00 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 I 7.53 3.74 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.04 0.98 0.00 0.00 31 L 8.19 3.95 0.00 2.05 1.84 0.97 0.76 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 32 Y 8.39 4.28 0.00 3.13 3.32 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 33 R 8.28 3.50 0.00 1.91 1.88 0.00 3.39 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 34 V 8.11 3.53 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 35 T 8.27 3.84 4.39 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 1.23 0.00 0.00 36 M 8.02 4.02 0.00 1.83 1.72 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 2.01 2.45 0.00 37 T 7.70 3.80 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 1.18 0.00 0.00 38 L 7.93 4.01 0.00 1.83 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.15 4.10 0.00 3.11 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 40 L 8.01 4.09 0.00 1.70 1.72 0.91 0.79 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 41 G 8.61 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 42 G 8.69 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.17 3.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.26 4.07 0.00 1.96 1.79 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.52 4.54 0.00 3.02 3.22 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 46 S 8.60 3.95 0.00 3.99 4.07 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 47 L 8.12 3.98 0.00 2.11 1.85 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.12 4.21 0.00 3.19 3.37 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 49 C 7.97 3.97 0.00 2.97 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 50 L 8.19 3.91 0.00 1.68 1.88 0.92 1.07 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 51 G 7.75 3.70 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 0.00 0.00 0.00 52 W 8.04 4.44 0.00 2.91 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 53 A 7.81 3.66 0.97 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 54 S 7.82 4.00 0.00 4.05 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.42 4.64 0.00 3.12 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 56 P 0.00 4.30 0.00 2.20 2.12 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 57 H 8.16 4.86 0.00 3.37 3.66 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.90 4.12 0.00 1.83 1.76 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.31 7.81