# 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 118.91 5.17 11.84 18.78 113.96 -164.99 -94.24 129.16 99.50 0.47 0.03 99.45 0.15 0.07 0.01 0.00 0.00 0.25 0.06 1 G C C 46.57 4.80 9.56 16.13 119.73 -149.35 -93.75 161.32 91.29 7.26 1.45 86.74 1.96 2.88 0.53 0.73 0.00 3.90 3.27 2 K C C 163.30 1.54 10.29 13.01 109.89 -110.22 -89.42 110.43 89.88 7.82 2.30 46.69 22.09 21.75 0.61 1.69 0.00 4.38 2.79 3 G C S 51.23 3.34 10.05 15.07 114.94 -5.22 102.26 -171.65 93.37 4.10 2.53 33.21 39.65 20.92 0.59 1.87 0.00 2.18 1.59 4 T C C 82.27 4.72 9.88 16.23 116.82 -59.68 -94.55 139.79 91.33 3.86 4.81 62.58 25.83 2.72 2.81 1.82 0.00 1.39 2.86 5 P C G 100.84 3.21 11.08 15.87 100.40 -120.73 -70.38 -15.35 55.40 1.78 42.82 26.28 8.62 20.70 12.28 30.34 0.02 0.97 0.78 6 S C G 76.97 3.77 11.02 16.18 104.54 61.54 -86.17 10.41 49.52 2.30 48.18 16.64 9.09 24.19 16.54 31.14 0.13 1.26 1.02 7 F H G 115.69 6.76 10.24 18.30 107.22 78.27 -94.39 48.88 45.30 3.50 51.20 20.03 10.67 15.88 20.02 29.92 0.17 1.79 1.52 8 G C C 38.23 5.99 11.76 19.18 116.87 -145.40 84.14 -171.54 57.59 3.54 38.87 30.66 12.81 15.25 21.70 16.04 0.07 1.76 1.72 9 K C C 149.16 2.42 12.85 16.30 103.65 -48.91 -81.78 11.41 56.02 4.73 39.24 26.22 13.71 17.62 21.23 16.48 0.18 2.51 2.04 10 R C C 149.27 3.89 11.23 16.75 108.21 71.50 -87.93 104.59 58.40 5.38 36.23 30.02 13.59 16.09 19.31 15.63 0.15 2.80 2.42 11 H C C 114.23 6.80 10.39 18.47 106.33 105.44 -90.74 62.75 70.24 4.66 25.10 38.75 14.26 17.58 14.38 10.28 0.05 2.34 2.37 12 N C C 101.71 4.44 12.49 18.42 110.46 94.88 -97.93 103.18 80.88 3.58 15.55 40.67 19.35 21.53 7.48 7.41 0.02 1.72 1.82 13 K C C 126.08 6.09 12.08 19.63 106.05 -157.56 -89.52 48.74 83.69 4.60 11.72 39.26 25.57 19.82 4.33 6.58 0.02 2.24 2.19 14 S C C 69.96 5.24 14.24 20.72 105.27 92.67 -91.08 2.18 86.00 6.62 7.38 47.85 23.66 15.05 1.93 5.20 0.00 3.81 2.50 15 H C C 89.44 10.08 14.20 25.02 116.55 77.61 -102.73 129.30 82.93 13.77 3.29 59.08 17.52 6.38 0.73 2.64 0.00 11.13 2.53 16 T C C 48.16 11.42 16.36 28.73 120.15 -162.35 -108.56 135.60 63.78 34.79 1.43 49.59 11.55 2.49 0.38 1.10 0.00 32.73 2.16 17 L E B 74.19 8.77 19.14 28.66 119.75 -132.85 -99.06 137.25 9.82 90.04 0.14 7.79 0.63 0.04 0.15 0.02 0.00 33.57 57.79 18 C C C 12.94 18.43 11.06 30.20 109.68 -115.04 -73.72 125.79 85.12 14.82 0.05 86.30 0.49 0.05 0.01 0.02 0.00 10.63 2.50 19 N C T 103.10 4.48 17.26 23.10 93.53 -153.29 -69.87 -26.06 99.76 0.07 0.17 0.39 2.76 96.66 0.00 0.13 0.00 0.05 0.02 20 R C T 135.21 4.78 16.16 22.11 99.66 45.05 -82.17 -40.49 99.83 0.02 0.15 0.04 1.32 98.53 0.00 0.09 0.00 0.01 0.00 21 C C T 59.65 6.52 14.25 22.36 102.24 20.19 -108.92 -13.74 99.86 0.03 0.11 0.13 1.75 98.02 0.00 0.08 0.00 0.01 0.00 22 G C C 42.80 4.97 15.70 22.06 94.80 -119.45 81.89 6.61 99.20 0.71 0.09 83.37 9.42 6.38 0.02 0.07 0.00 0.37 0.36 23 R C C 96.73 7.93 15.30 24.92 119.23 138.43 -79.36 146.02 91.69 8.27 0.03 85.44 6.38 0.16 0.01 0.03 0.00 6.26 1.73 24 R E E 119.13 9.20 18.89 28.76 118.26 -128.82 -99.62 135.34 9.09 90.87 0.03 8.31 0.43 0.02 0.03 0.01 0.00 50.49 40.71 25 S E E 18.86 15.85 17.45 33.69 134.61 159.35 -135.50 158.45 47.86 52.09 0.04 43.72 3.14 0.10 0.01 0.04 0.00 52.49 0.51 26 F E E 56.14 12.24 18.80 32.17 127.10 -143.05 -121.71 144.07 18.60 81.22 0.18 15.29 3.20 0.29 0.06 0.14 0.00 69.68 11.35 27 H E E 49.18 10.95 16.50 29.13 110.32 -124.59 -83.71 121.91 19.96 79.78 0.26 17.99 0.92 0.17 0.16 0.12 0.00 63.81 16.83 28 V C T 70.54 10.28 14.49 25.82 94.79 -154.14 -69.32 -30.89 87.52 5.26 7.22 5.56 9.48 71.76 0.40 7.70 0.00 4.45 0.64 29 Q C T 127.85 2.27 16.37 18.57 96.91 46.64 -79.28 -33.72 88.89 4.07 7.04 3.96 9.20 75.37 0.92 6.81 0.00 3.00 0.73 30 K C T 108.41 4.80 16.40 21.68 108.31 21.11 -113.81 35.43 93.47 0.76 5.77 6.16 9.41 76.46 0.78 6.43 0.00 0.54 0.22 31 K C T 103.35 10.96 15.42 26.81 97.22 -130.46 42.43 46.13 97.16 2.46 0.38 7.65 8.04 81.47 0.04 0.38 0.00 2.29 0.14 32 T E E 50.38 7.41 20.92 29.51 133.42 110.24 -129.83 154.45 3.51 96.47 0.02 2.87 0.55 0.05 0.01 0.01 0.00 66.13 30.38 33 C E E 12.44 19.48 13.22 33.35 111.45 -110.60 -75.77 130.79 24.50 75.48 0.02 24.78 0.28 0.02 0.01 0.01 0.00 65.09 9.80 34 S C T 54.21 8.49 18.74 28.31 94.12 -146.32 -69.81 -28.24 99.71 0.14 0.15 0.44 2.01 97.31 0.00 0.12 0.00 0.09 0.02 35 S C T 66.19 6.04 19.12 25.88 98.91 45.29 -82.32 -38.42 99.83 0.03 0.14 0.04 0.83 99.03 0.00 0.08 0.00 0.01 0.00 36 C C T 55.89 8.15 16.78 26.14 102.95 19.51 -109.16 -11.13 99.81 0.04 0.16 0.10 1.36 98.43 0.00 0.09 0.00 0.02 0.01 37 G C C 35.18 7.76 17.50 26.33 95.57 -117.58 81.92 6.63 98.18 1.71 0.11 80.96 10.31 6.98 0.03 0.06 0.00 0.77 0.88 38 Y C C 68.51 11.55 14.68 27.63 117.11 142.33 -76.78 142.01 90.47 9.37 0.16 81.99 8.59 0.20 0.11 0.06 0.00 6.44 2.60 39 P E B 63.94 7.43 19.57 27.63 113.53 -103.66 -66.88 149.50 16.28 82.85 0.87 12.17 1.18 0.31 0.60 0.23 0.01 19.23 66.27 40 A C C 40.26 13.01 13.67 27.09 114.13 -106.91 -72.81 145.53 77.67 5.16 17.17 64.93 7.87 4.79 4.80 12.71 0.00 3.66 1.24 41 A C C 55.83 9.34 13.62 23.90 107.14 -120.99 -75.13 131.38 62.26 4.13 33.61 38.59 11.91 12.10 9.92 23.53 0.01 2.49 1.45 42 K C C 141.86 3.14 14.13 18.51 108.21 -134.29 -87.19 108.99 55.93 8.29 35.78 29.46 13.54 14.41 11.80 22.98 0.08 4.93 2.81 43 T C C 86.89 5.16 11.50 18.13 109.89 11.90 -91.80 108.26 61.63 11.76 26.61 37.76 13.41 10.53 12.06 14.66 0.08 7.04 4.46 44 R C C 134.38 6.40 9.92 17.79 111.54 -152.37 -93.80 117.15 78.53 9.27 12.20 54.62 14.62 8.83 7.82 4.67 0.02 5.81 3.62 45 S C C 79.98 3.04 11.81 16.26 112.74 -142.54 -98.32 124.58 83.97 6.68 9.35 51.26 20.92 11.74 6.02 3.52 0.01 4.00 2.54 46 Y C C 142.81 5.04 10.29 16.88 110.12 -126.79 -93.98 98.40 79.34 3.44 17.21 29.53 28.83 21.18 13.19 3.94 0.04 1.76 1.54 47 N C C 113.65 2.96 12.47 16.68 101.94 -100.27 -79.79 48.56 72.74 2.45 24.80 32.63 18.55 22.07 20.15 4.33 0.03 1.12 1.13 48 W C H 132.22 6.85 10.84 19.04 99.44 132.59 -83.53 -8.91 52.58 1.64 45.78 23.72 9.85 19.68 40.99 4.19 0.05 0.78 0.76 49 G H H 30.76 6.02 13.13 20.73 102.83 62.89 -64.47 -57.80 35.11 0.96 63.93 19.61 7.28 9.68 59.13 3.44 0.02 0.46 0.39 50 A H H 63.56 2.76 15.20 18.40 93.69 47.04 -65.55 -39.57 9.33 0.42 90.24 4.33 1.99 3.98 85.87 3.41 0.04 0.27 0.11 51 K H H 106.67 3.75 15.47 20.14 92.70 51.86 -66.31 -39.21 6.76 0.50 92.74 3.10 1.18 3.23 88.41 3.57 0.03 0.39 0.09 52 A H H 30.81 8.49 12.29 22.86 92.61 52.24 -64.83 -40.19 6.63 0.50 92.87 3.15 1.10 3.06 88.48 3.69 0.03 0.41 0.09 53 K H H 118.28 3.11 16.17 19.92 92.43 51.53 -66.12 -39.33 9.48 0.59 89.93 3.75 1.54 4.90 85.83 3.38 0.04 0.43 0.13 54 R H H 138.02 2.45 15.79 18.53 93.46 50.95 -67.55 -37.50 15.97 0.70 83.32 5.54 2.58 8.72 79.40 3.04 0.07 0.42 0.22 55 R H H 113.29 6.99 13.51 21.75 94.31 55.67 -69.57 -33.54 25.66 1.13 73.22 12.61 4.43 9.90 68.93 3.07 0.05 0.58 0.43 56 H H H 115.03 5.59 14.37 20.98 96.56 56.21 -75.13 -24.62 34.90 1.31 63.80 17.64 5.67 12.37 59.96 3.16 0.04 0.66 0.50 57 T H H 82.88 3.88 14.82 19.51 99.84 57.16 -83.23 -26.27 44.86 1.52 53.62 18.16 10.17 17.25 49.88 3.10 0.07 0.69 0.67 58 T C H 77.31 4.90 14.41 20.25 101.92 48.21 -88.42 -14.03 58.69 1.50 39.80 19.79 18.52 19.92 37.90 2.47 0.06 0.56 0.78 59 G C C 35.30 6.87 13.77 21.94 107.65 -124.16 69.20 -38.90 75.68 1.19 23.13 37.94 19.39 17.43 21.22 2.93 0.01 0.49 0.60 60 T H H 75.27 4.53 15.09 20.43 97.84 72.11 -74.56 -31.61 47.05 1.08 51.86 24.82 11.09 11.77 47.95 3.40 0.03 0.45 0.50 61 G H H 33.23 4.89 15.31 21.47 95.54 54.51 -59.89 -42.06 30.23 0.80 68.97 14.20 7.17 10.54 62.66 4.67 0.05 0.40 0.32 62 R H H 116.78 5.67 14.90 21.71 93.35 52.94 -66.62 -38.66 16.81 0.69 82.50 9.23 2.95 5.79 75.93 5.42 0.03 0.43 0.22 63 M H H 92.31 4.76 15.08 20.92 93.09 51.44 -66.92 -38.04 10.48 0.53 88.99 5.54 1.73 3.99 82.25 5.98 0.02 0.37 0.13 64 R H H 133.96 2.55 16.55 19.26 92.17 53.18 -65.14 -40.07 9.35 0.41 90.24 3.90 1.47 4.42 84.18 5.62 0.03 0.28 0.10 65 Y H H 110.26 4.68 15.30 21.13 92.41 50.20 -65.45 -40.26 8.90 0.30 90.81 3.29 1.25 4.64 85.35 5.17 0.03 0.20 0.07 66 L H H 77.07 6.10 14.26 21.75 92.49 52.35 -64.65 -39.94 7.19 0.20 92.61 2.74 1.00 3.55 88.20 4.32 0.02 0.13 0.05 67 K H H 117.57 2.84 16.23 19.45 92.48 52.12 -66.13 -39.33 11.37 0.23 88.39 2.76 1.29 7.24 85.17 3.29 0.03 0.14 0.06 68 H H H 102.71 3.07 16.25 19.69 93.36 49.81 -68.50 -38.33 12.55 0.29 87.16 3.14 1.79 7.90 84.34 2.53 0.05 0.17 0.10 69 V H H 61.57 5.60 14.11 21.39 92.54 51.97 -64.37 -42.80 8.99 0.33 90.69 4.95 1.71 2.91 88.07 2.08 0.01 0.18 0.08 70 S H H 52.12 4.18 14.47 19.93 92.06 51.19 -64.10 -39.87 7.57 0.30 92.12 4.37 0.83 2.72 88.58 3.20 0.01 0.25 0.06 71 R H H 130.05 2.27 15.11 17.55 92.43 51.53 -65.78 -39.48 5.71 0.22 94.06 1.91 0.76 3.11 88.73 5.27 0.02 0.18 0.04 72 R H H 125.62 3.52 13.67 18.29 92.75 50.99 -67.27 -38.71 7.28 0.27 92.44 2.16 0.97 4.19 87.21 5.18 0.03 0.20 0.06 73 F H H 113.38 4.69 11.78 17.82 95.37 48.04 -74.76 -32.83 15.38 0.55 84.07 4.84 2.14 8.63 78.77 5.03 0.06 0.34 0.19 74 K H H 141.23 2.15 12.86 15.59 95.46 58.83 -71.12 -31.37 28.38 0.88 70.74 6.83 4.61 17.71 65.84 3.99 0.14 0.44 0.43 75 N C H 107.62 2.32 12.58 15.48 99.33 37.69 -92.69 4.46 53.91 0.87 45.23 9.03 9.20 35.49 41.07 4.21 0.10 0.37 0.53 76 G C T 44.14 4.61 11.56 17.69 100.79 -108.32 76.46 4.74 68.66 1.20 30.14 19.21 12.13 37.48 21.42 8.47 0.03 0.57 0.68 77 F C C 127.08 5.12 11.22 17.75 103.56 84.74 -81.44 10.82 63.33 5.07 31.60 30.01 12.70 21.59 19.98 10.62 0.10 2.81 2.20 78 Q C C 112.16 4.37 10.30 16.32 110.28 111.44 -90.81 113.20 64.18 7.57 28.25 34.76 13.06 17.23 18.78 8.76 0.14 4.42 2.86 79 T C T 101.37 2.58 10.64 14.86 110.35 -150.52 -93.21 123.56 71.74 3.86 24.39 23.87 16.75 31.48 17.45 6.59 0.08 2.21 1.57 80 G C T 57.22 1.77 11.51 14.12 108.01 12.06 84.81 -29.88 80.60 1.67 17.74 22.36 24.25 34.62 11.41 5.65 0.02 0.82 0.87 81 S C C 76.72 3.12 10.33 14.97 113.04 79.36 -92.05 133.12 72.98 3.32 23.70 42.40 20.56 10.53 17.38 5.82 0.02 1.65 1.63 82 A C C 74.49 3.97 9.34 15.03 111.63 -115.53 -80.87 134.74 64.14 5.14 30.72 40.41 13.49 10.65 21.72 8.60 0.03 2.98 2.10 83 S C C 78.85 3.35 9.07 14.22 109.74 -114.49 -78.88 136.60 65.15 4.22 30.64 42.00 12.41 11.00 20.79 9.63 0.02 2.55 1.61 84 K C C 157.76 1.76 9.38 12.55 109.74 -115.45 -86.44 122.56 67.84 3.67 28.49 43.86 13.96 10.33 18.45 9.84 0.02 2.14 1.41 85 A C C 83.25 2.79 7.44 12.11 111.40 -114.22 -82.28 134.13 72.08 4.57 23.35 48.92 12.26 11.03 15.00 8.31 0.02 2.76 1.71 86 S C C 93.17 1.44 8.15 11.02 112.29 -137.95 -91.23 124.25 81.81 4.08 14.10 71.68 1.90 8.96 9.93 3.27 0.00 2.42 1.84 87 A C C 83.54 3.31 9.07 14.15 109.56 -128.53 -85.63 126.56 99.87 0.09 0.03 99.80 0.07 0.05 0.02 0.00 0.00 0.04 0.01