# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 42.10 16.44 16.95 33.23 123.58 -169.78 -112.87 137.79 96.86 3.13 0.00 96.43 0.14 0.01 0.00 0.00 0.00 3.40 0.02 1 Q E E 82.88 8.32 21.19 30.01 118.34 -143.33 -102.27 130.74 8.45 91.55 0.01 8.61 0.12 0.01 0.00 0.00 0.00 91.02 0.23 2 I E E 11.70 21.91 14.95 37.08 124.13 -166.09 -119.46 135.19 1.27 98.73 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.70 0.02 3 F E E 58.80 8.86 24.40 34.26 117.21 -151.91 -105.70 128.49 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 4 V E E 6.21 23.69 16.40 40.50 123.38 -169.36 -117.76 134.33 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 5 K E E 80.48 7.67 23.58 31.78 115.69 -145.83 -101.69 124.37 1.63 98.36 0.01 1.43 0.08 0.01 0.00 0.00 0.00 98.38 0.09 6 T C C 13.59 18.30 13.54 32.20 124.29 -150.47 -90.13 166.75 67.45 32.47 0.09 66.13 0.81 0.13 0.02 0.05 0.00 31.89 0.98 7 L C T 87.59 10.24 15.03 26.08 91.53 -99.86 -63.93 -22.87 98.26 1.07 0.66 1.01 6.51 90.82 0.02 0.66 0.00 0.86 0.12 8 T C T 84.96 4.14 15.31 20.49 93.92 58.20 -87.09 -0.21 99.16 0.22 0.63 0.67 6.51 92.00 0.02 0.62 0.00 0.13 0.04 9 G C S 49.28 3.35 14.99 19.46 97.97 -101.08 88.63 4.49 98.94 0.69 0.37 15.25 82.07 1.76 0.03 0.29 0.00 0.41 0.19 10 K C C 100.38 5.45 14.70 21.98 117.98 134.64 -79.54 143.48 96.75 3.23 0.02 95.49 1.41 0.09 0.00 0.01 0.00 2.80 0.19 11 T E E 75.31 9.63 14.95 25.95 123.57 -149.06 -115.81 136.94 1.77 98.23 0.00 1.69 0.06 0.00 0.00 0.00 0.00 98.08 0.17 12 I E E 29.89 15.68 15.69 32.31 124.29 -170.47 -122.80 135.94 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 T E E 73.14 8.50 20.25 29.81 121.12 -154.05 -111.33 132.79 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.71 0.00 14 L E E 20.56 19.54 15.04 34.65 127.85 -175.70 -128.17 140.80 2.25 97.74 0.00 2.23 0.05 0.00 0.00 0.00 0.00 97.67 0.05 15 E E E 116.42 4.72 24.03 29.57 114.59 -138.53 -96.09 126.44 11.26 88.74 0.01 10.88 0.37 0.02 0.00 0.00 0.00 88.60 0.12 16 V C C 11.49 23.29 12.20 35.11 131.32 177.12 -131.74 150.52 50.28 49.70 0.02 50.37 0.99 0.03 0.00 0.01 0.00 46.30 2.29 17 E C C 99.19 3.86 24.36 27.60 116.25 -123.25 -88.19 143.29 99.01 0.97 0.01 99.04 0.25 0.02 0.00 0.00 0.00 0.60 0.09 18 P C T 49.26 17.57 13.14 30.25 91.20 -115.69 -60.42 -25.42 99.65 0.12 0.22 0.40 2.13 97.19 0.01 0.17 0.00 0.08 0.02 19 S C T 82.47 2.35 20.73 23.16 92.60 58.04 -89.06 -3.42 99.73 0.08 0.19 0.44 2.00 97.33 0.01 0.17 0.00 0.05 0.01 20 D C C 30.91 14.07 14.15 29.61 116.81 116.70 -70.20 143.45 98.57 1.31 0.12 73.54 25.10 0.21 0.02 0.08 0.00 0.66 0.38 21 T E B 45.21 7.05 23.95 31.43 123.34 -128.81 -87.78 160.94 16.88 82.99 0.13 12.67 0.34 0.01 0.10 0.00 0.00 3.82 83.06 22 I H H 10.57 24.39 14.47 39.32 90.69 -111.83 -58.18 -39.31 2.15 0.03 97.82 0.30 0.27 1.51 97.39 0.50 0.01 0.01 0.01 23 E H H 108.24 5.81 22.17 28.79 91.03 55.22 -62.65 -40.60 0.98 0.01 99.01 0.14 0.07 0.66 98.76 0.36 0.00 0.00 0.00 24 N H H 82.15 3.90 24.05 27.67 92.04 48.88 -65.81 -40.00 0.64 0.01 99.35 0.19 0.07 0.35 98.95 0.44 0.00 0.01 0.00 25 V H H 5.21 22.72 17.38 40.34 91.78 49.95 -64.50 -43.36 0.52 0.01 99.47 0.16 0.05 0.26 99.33 0.19 0.00 0.00 0.00 26 K H H 54.92 17.59 19.69 36.10 91.46 52.30 -62.01 -42.69 0.49 0.01 99.51 0.11 0.04 0.26 99.49 0.10 0.00 0.00 0.00 27 A H H 53.51 2.91 23.02 25.16 91.39 50.96 -63.33 -42.16 1.06 0.01 98.93 0.15 0.07 0.73 98.80 0.24 0.00 0.00 0.00 28 K H H 86.84 5.91 21.67 27.97 92.06 49.41 -65.72 -40.93 2.55 0.02 97.43 0.32 0.18 1.92 97.17 0.39 0.00 0.01 0.00 29 I H H 8.14 20.79 13.79 35.01 92.06 49.31 -65.09 -42.31 5.09 0.10 94.80 0.91 0.67 3.44 94.26 0.61 0.02 0.05 0.03 30 Q H H 76.58 10.15 15.57 26.36 92.46 51.02 -64.46 -40.45 12.60 0.34 87.06 3.29 1.68 7.59 86.15 0.95 0.04 0.16 0.14 31 D H H 117.56 0.99 17.35 16.85 93.57 47.49 -70.38 -34.31 24.73 0.24 75.03 3.75 3.26 17.57 73.79 1.35 0.06 0.10 0.12 32 K H H 122.49 4.55 14.82 20.48 98.53 43.30 -81.32 -32.32 42.04 0.29 57.67 3.08 7.50 30.80 56.48 1.76 0.09 0.09 0.20 33 E C H 94.37 8.27 13.50 22.60 101.39 24.68 -100.64 -5.20 51.16 0.47 48.38 4.88 13.78 32.04 47.18 1.54 0.10 0.13 0.35 34 G C C 57.20 1.88 17.87 19.65 95.83 -115.83 76.50 17.00 99.60 0.14 0.26 63.53 12.58 23.52 0.09 0.14 0.00 0.06 0.09 35 I C C 27.51 16.81 9.59 26.61 116.52 147.05 -88.84 132.09 99.53 0.45 0.02 91.10 8.30 0.05 0.01 0.01 0.00 0.11 0.42 36 P C C 60.30 3.82 20.59 24.60 112.55 -110.24 -65.26 144.59 99.94 0.05 0.01 99.73 0.21 0.02 0.00 0.00 0.00 0.01 0.02 37 P H G 58.53 15.95 11.82 27.25 92.00 -118.38 -58.24 -35.31 10.87 0.08 89.05 1.17 0.92 6.40 0.46 91.00 0.00 0.05 0.00 38 D H G 114.62 2.17 18.76 21.36 90.92 61.66 -70.85 -13.81 10.82 0.12 89.06 0.61 0.84 7.48 0.43 90.56 0.00 0.08 0.00 39 Q H G 87.31 8.03 18.04 26.99 97.12 56.23 -96.22 0.51 11.01 0.43 88.56 2.07 1.54 5.39 0.48 90.18 0.00 0.33 0.01 40 Q C C 25.04 21.32 13.72 34.54 119.97 97.27 -97.12 138.26 55.40 43.90 0.70 48.04 7.26 0.49 0.20 0.52 0.00 41.77 1.72 41 R E E 93.74 9.31 26.03 35.66 129.13 -172.56 -127.85 141.79 8.25 91.68 0.08 8.43 0.27 0.04 0.03 0.03 0.00 90.46 0.74 42 L E E 6.14 24.81 17.82 43.17 116.29 -140.77 -99.66 128.73 2.42 97.56 0.02 2.03 0.23 0.01 0.00 0.01 0.00 97.66 0.04 43 I E E 32.93 11.41 24.08 36.59 124.83 -169.75 -119.86 136.93 0.93 99.05 0.02 0.78 0.10 0.02 0.00 0.01 0.00 99.05 0.04 44 F E E 26.08 19.92 15.24 34.92 120.00 -169.37 -124.75 123.82 1.69 98.24 0.07 1.06 0.45 0.19 0.02 0.04 0.00 97.75 0.48 45 A C T 57.82 10.14 15.94 27.07 93.68 -18.49 54.16 42.59 99.35 0.40 0.25 0.28 2.11 97.15 0.01 0.15 0.00 0.26 0.02 46 G C T 60.46 2.05 16.40 18.82 95.11 -47.36 81.05 2.87 99.76 0.10 0.14 0.34 2.53 96.93 0.00 0.11 0.00 0.07 0.01 47 K E E 117.42 3.89 16.07 21.75 123.95 105.81 -110.05 140.98 3.26 96.72 0.02 1.90 1.15 0.16 0.01 0.01 0.00 95.90 0.87 48 Q E E 113.22 5.85 17.00 24.55 114.38 -119.11 -77.79 133.70 4.62 95.36 0.02 4.05 0.36 0.04 0.01 0.01 0.00 94.75 0.79 49 L C C 18.33 22.04 8.96 29.96 115.86 -122.79 -81.41 136.05 77.46 22.50 0.03 76.61 0.88 0.07 0.00 0.02 0.00 21.81 0.59 50 E C C 126.71 2.51 20.56 22.83 119.10 -141.26 -95.82 144.47 98.66 1.26 0.08 97.48 1.12 0.28 0.02 0.04 0.00 0.67 0.40 51 D C T 102.84 6.37 14.07 22.05 107.21 -78.66 -59.77 127.63 99.25 0.23 0.52 0.86 3.81 94.65 0.07 0.39 0.00 0.12 0.09 52 G C T 52.68 3.43 17.37 21.54 96.23 17.25 87.02 -1.97 99.51 0.12 0.37 1.45 3.42 94.65 0.04 0.35 0.00 0.08 0.02 53 R C C 86.37 9.24 15.38 26.07 120.19 125.49 -82.88 146.97 94.95 4.89 0.15 73.81 21.18 0.38 0.04 0.13 0.00 2.80 1.65 54 T E B 37.85 8.99 20.70 30.77 123.05 -131.81 -92.44 157.64 21.35 78.52 0.13 16.55 0.71 0.04 0.09 0.02 0.00 6.91 75.68 55 L H G 9.47 24.63 12.90 37.83 91.19 -111.40 -59.88 -35.74 30.67 0.71 68.62 2.53 3.36 24.29 4.88 64.27 0.00 0.47 0.20 56 S H G 65.33 7.28 18.31 26.59 91.27 60.52 -65.39 -30.75 23.33 0.13 76.54 0.81 1.37 20.12 5.43 72.15 0.00 0.08 0.03 57 D H G 101.03 2.80 19.30 22.30 91.78 56.89 -72.49 -22.01 20.26 0.12 79.62 1.06 1.78 16.64 6.80 73.61 0.00 0.07 0.04 58 Y C G 49.13 17.48 12.79 29.79 99.53 54.29 -98.94 5.78 55.71 0.64 43.65 5.62 15.91 33.52 7.25 36.82 0.03 0.30 0.56 59 N C T 116.44 2.64 22.57 25.14 95.48 -122.64 57.75 43.05 95.39 1.81 2.80 28.09 6.92 60.83 0.68 1.83 0.00 1.02 0.62 60 I C C 13.61 24.50 8.86 32.29 115.59 172.13 -83.80 132.34 90.54 8.98 0.48 88.34 2.07 0.32 0.24 0.15 0.00 3.23 5.66 61 Q C C 102.82 3.26 22.07 25.22 126.05 -162.71 -110.57 159.65 95.30 4.16 0.54 93.68 1.32 0.57 0.18 0.21 0.00 2.09 1.95 62 K C T 127.42 7.14 16.01 24.16 105.95 -85.49 -62.38 131.52 94.00 2.58 3.42 2.38 11.83 80.18 0.37 2.80 0.00 2.03 0.40 63 E C T 133.88 3.77 19.16 23.47 96.46 17.84 57.97 11.86 94.24 2.50 3.26 3.64 10.31 79.99 0.26 3.06 0.00 2.56 0.18 64 S C C 21.05 15.11 14.26 30.18 118.06 132.57 -77.76 149.14 91.02 7.64 1.34 72.60 16.67 1.46 0.15 1.36 0.00 7.15 0.61 65 T E E 50.15 10.20 23.18 33.89 121.00 -139.58 -111.39 134.60 20.46 79.42 0.12 19.33 1.06 0.15 0.03 0.08 0.00 78.52 0.83 66 L E E 7.03 24.61 17.43 42.34 123.63 -166.60 -117.18 136.80 2.42 97.56 0.02 2.38 0.11 0.02 0.00 0.01 0.00 97.36 0.12 67 H E E 54.78 11.41 26.28 38.16 118.16 -153.07 -106.92 127.85 1.29 98.69 0.02 1.26 0.07 0.01 0.00 0.01 0.00 98.61 0.03 68 L E E 6.84 24.39 18.93 43.58 119.49 -162.29 -110.23 129.09 1.06 98.93 0.01 1.03 0.05 0.01 0.00 0.01 0.00 98.88 0.02 69 V E E 31.95 11.63 24.99 37.49 120.49 -164.91 -115.05 129.59 1.24 98.76 0.00 1.21 0.04 0.00 0.00 0.00 0.00 98.71 0.03 70 L E E 19.13 20.47 17.61 37.92 121.61 -164.88 -111.13 133.11 3.37 96.62 0.01 3.30 0.11 0.01 0.00 0.00 0.00 96.45 0.12 71 R E E 101.79 8.09 20.58 29.31 118.28 -155.44 -105.08 129.71 14.22 85.73 0.04 13.25 0.74 0.10 0.01 0.03 0.00 85.52 0.35 72 L C C 57.12 14.79 11.74 26.57 115.63 -145.72 -93.21 133.09 54.37 45.53 0.09 53.77 0.49 0.14 0.03 0.05 0.00 44.64 0.89 73 R C C 144.64 4.72 16.47 22.42 112.43 -136.36 -88.90 128.89 99.73 0.27 0.00 99.75 0.05 0.01 0.00 0.00 0.00 0.19 0.01