# 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 111.38 5.62 11.11 18.37 113.36 -160.87 -93.64 127.67 99.78 0.16 0.07 99.65 0.13 0.07 0.04 0.01 0.00 0.07 0.03 1 G C C 44.51 3.75 10.37 15.71 115.44 -149.11 -91.61 167.02 81.06 2.53 16.41 75.71 1.17 4.89 13.99 1.80 0.00 1.25 1.20 2 H C C 139.88 2.87 8.95 13.33 101.85 -79.40 -76.56 -18.80 56.52 3.10 40.38 35.67 10.13 11.26 33.84 6.17 0.02 1.80 1.10 3 L H H 111.25 3.40 9.31 14.48 101.89 69.15 -80.40 -6.87 41.73 2.38 55.89 27.20 7.38 8.57 45.41 9.24 0.02 1.51 0.68 4 H H H 126.73 3.43 10.89 15.89 102.82 57.00 -84.72 3.48 34.59 2.50 62.91 24.16 5.72 6.54 51.08 10.15 0.02 1.69 0.64 5 Q H H 99.45 4.92 11.13 17.70 105.21 68.98 -85.25 27.63 28.27 2.75 68.98 19.54 4.91 6.27 57.73 8.91 0.03 1.93 0.67 6 W H H 137.17 6.07 11.76 19.30 99.86 60.92 -77.67 -23.07 25.03 2.45 72.52 16.23 4.70 6.60 61.56 8.55 0.04 1.67 0.65 7 R H H 130.93 5.21 13.15 19.63 100.06 60.80 -79.59 -6.00 26.27 1.92 71.81 15.90 4.82 7.81 61.54 8.09 0.05 1.26 0.54 8 S H H 56.94 6.33 12.35 20.20 99.65 76.27 -75.02 -20.90 28.54 1.70 69.76 15.61 5.85 9.36 58.42 9.10 0.06 1.04 0.55 9 R H H 132.36 5.96 13.08 20.33 100.02 73.42 -78.37 -18.52 31.63 1.97 66.40 16.48 7.07 10.45 54.04 10.05 0.09 1.13 0.68 10 Q H H 99.91 6.19 13.14 20.63 102.65 69.48 -80.66 7.18 39.77 2.63 57.60 24.11 6.71 10.83 46.90 8.93 0.05 1.55 0.91 11 K H H 117.33 6.48 12.51 20.30 106.33 88.96 -86.47 57.94 47.44 4.02 48.55 29.14 8.21 12.29 38.38 8.05 0.09 2.13 1.72 12 I C H 102.03 5.88 11.69 19.09 110.49 151.04 -90.98 116.30 58.73 3.52 37.75 25.46 12.45 22.57 29.49 6.43 0.19 1.66 1.73 13 G C T 55.62 2.75 13.26 17.19 105.10 8.92 68.63 1.81 77.91 2.00 20.09 30.10 15.99 32.53 14.15 5.22 0.03 0.91 1.07 14 M C C 118.90 4.75 10.04 16.34 109.65 96.11 -96.66 91.68 84.45 3.71 11.84 44.04 25.12 15.51 7.04 4.20 0.02 1.34 2.73 15 G C C 41.31 3.56 12.19 17.11 126.59 -52.91 113.31 -176.94 89.95 3.22 6.83 43.36 36.23 10.08 2.03 4.47 0.01 1.17 2.64 16 K C T 171.28 1.06 12.54 13.77 108.22 -45.08 -67.94 127.34 87.66 1.12 11.22 4.95 12.36 69.24 1.26 10.83 0.00 0.65 0.69 17 G C T 54.51 2.89 13.79 17.66 98.18 18.35 83.43 -0.69 89.48 0.97 9.55 7.93 11.57 68.79 1.04 9.63 0.00 0.60 0.44 18 S C C 40.38 10.77 11.03 23.05 113.05 126.07 -81.77 134.32 87.17 5.49 7.35 67.13 13.96 4.84 1.60 6.40 0.00 2.61 3.46 19 R C C 119.50 8.49 16.51 25.73 110.63 -174.27 -106.31 71.63 83.80 12.38 3.83 64.64 14.00 4.12 1.47 2.53 0.01 7.41 5.81 20 H C C 101.66 6.85 19.85 27.55 125.68 103.86 -111.15 146.14 73.18 24.93 1.89 60.89 7.80 1.52 1.03 0.95 0.01 10.44 17.35 21 C C C 14.14 19.32 11.39 30.83 111.81 -112.40 -74.64 130.95 88.35 11.11 0.54 83.99 3.18 0.56 0.28 0.23 0.00 5.69 6.07 22 V C S 91.28 4.91 19.70 25.44 93.93 -146.67 -71.10 -23.92 96.46 2.31 1.23 10.21 44.16 42.34 0.37 0.73 0.00 1.25 0.93 23 I C T 76.36 8.89 16.53 26.22 99.27 44.35 -86.14 -35.90 97.50 1.55 0.95 3.26 36.56 57.97 0.19 0.57 0.00 0.82 0.64 24 C C T 42.06 11.03 13.20 25.27 111.97 24.47 -116.04 29.23 93.53 4.86 1.61 15.30 32.12 46.40 0.41 1.05 0.01 2.61 2.09 25 S C C 81.29 3.71 16.67 21.61 96.77 -133.68 49.17 0.87 91.31 7.40 1.29 55.24 29.70 6.51 0.44 0.84 0.00 3.55 3.72 26 N C C 72.22 7.27 14.60 23.40 111.55 115.22 -90.48 121.58 89.87 6.26 3.87 63.51 18.88 7.08 1.75 2.05 0.00 2.92 3.80 27 Q C C 94.32 10.76 14.71 25.91 96.62 -160.70 -78.79 -12.00 62.57 8.32 29.11 33.85 13.57 15.49 17.60 10.72 0.22 3.88 4.67 28 K C H 111.67 6.83 17.58 25.16 96.02 80.92 -67.01 -32.24 51.70 4.01 44.29 21.61 11.46 19.66 26.36 16.77 0.20 2.35 1.58 29 A H H 35.39 7.66 17.05 26.26 95.67 64.10 -66.51 -35.51 38.28 7.18 54.55 18.90 7.69 12.72 33.70 20.11 0.13 5.31 1.46 30 L H H 35.49 12.69 15.59 29.28 95.02 56.98 -68.70 -35.76 25.17 14.22 60.61 12.20 5.63 9.23 41.43 17.53 0.49 11.10 2.39 31 I H H 39.52 13.34 13.53 27.57 94.71 55.36 -69.23 -36.78 16.42 23.09 60.49 9.07 3.50 5.97 45.11 14.92 0.45 16.22 4.77 32 R H H 148.07 3.06 15.28 19.35 93.19 57.15 -65.42 -38.66 17.02 6.39 76.59 6.81 2.81 7.75 39.28 36.81 0.08 5.76 0.70 33 K H G 137.11 2.43 14.53 17.75 92.44 51.22 -69.48 -34.02 24.62 2.96 72.42 4.69 3.44 15.63 33.87 39.12 0.22 2.44 0.59 34 Y C T 100.75 7.83 12.03 21.41 99.33 33.65 -102.17 6.97 50.95 0.88 48.17 3.78 5.84 40.40 18.04 30.84 0.09 0.53 0.48 35 E C T 154.61 1.58 17.01 18.60 94.26 -119.69 59.44 34.44 97.92 0.48 1.60 9.60 6.86 81.74 0.60 0.77 0.00 0.31 0.13 36 L C C 41.72 14.80 11.60 26.76 117.06 140.83 -101.33 132.74 88.88 9.08 2.04 65.23 15.53 7.97 0.62 1.55 0.00 6.05 3.05 37 N C C 94.05 5.86 20.78 27.39 100.00 -143.38 -92.63 42.76 86.76 12.36 0.88 45.18 36.78 5.28 0.24 0.69 0.00 10.12 1.71 38 V C C 22.94 16.50 16.18 33.30 130.11 109.78 -119.33 152.44 68.51 30.89 0.60 45.02 22.63 0.75 0.40 0.26 0.00 15.52 15.41 39 C C C 26.77 11.13 19.62 32.09 117.72 -108.01 -71.48 155.13 87.38 12.38 0.24 87.30 0.98 0.08 0.18 0.04 0.00 7.95 3.47 40 R H H 100.28 11.86 17.26 29.60 91.41 -112.58 -58.96 -38.25 1.31 0.00 98.69 0.17 0.14 0.83 98.57 0.28 0.00 0.00 0.00 41 Q H H 100.05 2.89 22.30 24.62 91.57 53.54 -63.99 -40.65 0.61 0.00 99.39 0.04 0.04 0.47 99.11 0.33 0.00 0.00 0.00 42 C H H 25.03 10.24 18.48 30.47 91.57 48.55 -64.85 -41.87 0.39 0.00 99.60 0.05 0.03 0.27 99.22 0.43 0.00 0.00 0.00 43 F H H 15.40 20.74 15.02 35.84 91.67 50.41 -63.87 -43.33 0.11 0.00 99.89 0.01 0.01 0.07 99.82 0.09 0.00 0.00 0.00 44 R H H 109.29 7.85 19.19 27.72 91.47 51.29 -63.36 -41.89 0.22 0.00 99.78 0.02 0.01 0.16 99.67 0.14 0.00 0.00 0.00 45 E H H 110.96 1.94 21.65 21.96 91.88 48.93 -65.22 -40.94 1.00 0.00 99.00 0.03 0.03 0.91 98.82 0.20 0.00 0.00 0.00 46 N H H 44.92 9.95 16.99 28.18 93.60 44.52 -73.74 -34.37 6.17 0.01 93.81 0.29 0.34 5.47 93.47 0.41 0.01 0.00 0.01 47 A H H 11.71 16.59 11.32 28.65 91.87 60.74 -62.75 -41.42 10.15 0.16 89.69 1.99 1.14 6.93 81.83 7.86 0.07 0.08 0.10 48 E H H 129.29 2.46 15.81 19.12 91.70 52.02 -64.17 -39.36 8.24 0.13 91.63 1.04 0.55 5.93 70.55 21.78 0.02 0.08 0.03 49 N H H 122.22 1.41 15.92 16.90 91.10 54.08 -67.79 -26.80 16.50 0.10 83.40 0.75 0.70 14.43 65.14 18.83 0.05 0.05 0.04 50 I C T 72.39 9.14 11.73 22.19 94.94 48.13 -93.34 0.83 51.02 0.11 48.88 0.77 1.84 49.33 32.43 15.46 0.03 0.05 0.10 51 G C T 54.93 1.61 17.36 18.21 97.95 -100.98 88.09 9.91 99.49 0.05 0.46 2.41 2.55 94.67 0.24 0.10 0.00 0.02 0.01 52 F C C 66.40 13.61 7.98 21.53 120.56 131.06 -94.62 144.18 90.96 8.54 0.50 82.27 7.79 0.97 0.24 0.26 0.00 6.89 1.59 53 V C C 102.81 2.56 14.98 18.60 119.51 -149.48 -109.28 134.51 77.58 21.71 0.71 70.66 5.79 1.03 0.37 0.36 0.00 17.52 4.28 54 K C C 121.96 7.39 10.32 19.34 113.99 -124.09 -82.78 132.89 76.79 22.09 1.12 67.69 5.97 2.18 0.48 0.68 0.00 18.66 4.35 55 L C C 103.12 5.55 9.09 16.29 111.29 -146.89 -90.43 121.15 92.87 6.25 0.88 90.30 1.17 1.88 0.24 0.45 0.00 4.89 1.07 56 R C C 180.54 1.78 12.37 15.19 110.19 -142.05 -86.55 111.37 99.86 0.12 0.02 99.72 0.12 0.06 0.01 0.00 0.00 0.07 0.01