# 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 124.65 4.15 11.36 17.35 116.70 -164.02 -103.64 130.90 99.68 0.29 0.02 99.68 0.09 0.04 0.01 0.00 0.00 0.14 0.04 1 A C C 79.75 3.57 8.62 14.17 113.96 -142.56 -91.61 133.47 87.28 7.38 5.34 81.56 1.58 4.78 2.46 1.98 0.00 5.59 2.04 2 T C C 104.63 2.46 8.20 12.52 114.16 -155.67 -97.15 130.54 78.11 14.20 7.69 50.13 18.20 9.98 3.36 4.30 0.02 10.48 3.53 3 K C C 150.95 2.28 9.19 13.29 114.99 -142.15 -95.73 133.07 74.13 17.24 8.63 48.16 18.07 7.76 3.94 4.82 0.03 12.93 4.30 4 K C C 145.39 3.20 9.16 14.42 113.59 -131.58 -89.13 133.31 77.48 14.99 7.53 57.60 11.97 7.21 3.48 4.22 0.01 11.48 4.02 5 A C C 80.39 3.76 8.93 14.63 115.12 -144.73 -93.53 139.54 82.76 10.68 6.56 49.34 16.55 16.94 2.26 4.24 0.01 8.02 2.63 6 G C C 56.29 2.60 10.65 14.87 118.07 -91.27 -110.35 160.67 85.31 9.04 5.66 39.00 23.47 23.66 1.35 4.18 0.01 6.16 2.18 7 G C C 51.51 3.50 10.73 15.97 121.06 84.94 98.72 172.48 84.25 10.09 5.66 46.28 24.76 13.65 1.39 4.41 0.01 6.62 2.88 8 S C C 80.82 3.61 11.13 16.44 112.86 -101.81 -93.82 140.64 78.10 14.35 7.56 53.83 15.34 8.57 2.59 5.26 0.01 9.31 5.09 9 T C C 86.44 5.35 10.54 17.53 113.50 -151.01 -96.29 130.07 75.39 13.37 11.24 48.54 15.55 11.41 3.63 7.72 0.02 9.11 4.02 10 K C C 140.58 3.83 11.43 16.93 106.61 -152.51 -87.99 77.58 75.45 11.01 13.54 36.26 19.94 20.57 3.82 9.05 0.04 7.21 3.13 11 N C C 102.67 4.73 12.32 18.33 104.13 94.39 -93.79 36.38 81.95 6.55 11.50 32.16 24.32 26.71 2.76 7.94 0.02 4.02 2.07 12 G C C 43.50 6.59 12.10 19.86 104.24 -103.73 78.54 5.90 87.23 5.26 7.52 43.23 24.21 20.06 1.48 6.09 0.00 3.15 1.77 13 R C C 129.73 6.34 12.57 20.31 115.29 126.52 -92.92 132.43 80.60 9.95 9.45 52.63 15.70 11.87 2.39 7.34 0.01 5.86 4.20 14 D C C 91.73 6.63 11.88 19.83 110.19 -130.63 -87.84 110.15 83.44 7.52 9.04 53.73 16.28 13.12 2.07 7.34 0.00 4.77 2.67 15 S C C 69.27 6.00 11.98 19.37 107.98 145.65 -92.57 51.36 88.44 4.69 6.88 46.28 29.84 12.65 1.60 5.11 0.00 2.56 1.96 16 N C C 111.99 3.31 15.12 19.59 112.38 83.06 -95.43 119.12 94.70 3.23 2.07 53.18 36.73 5.06 0.50 1.53 0.00 1.72 1.29 17 P C C 64.12 11.64 11.68 23.92 115.45 -127.10 -72.61 146.93 92.63 3.76 3.61 71.64 12.66 7.86 0.58 3.59 0.00 2.77 0.90 18 K C C 112.98 7.51 16.74 25.27 116.19 -147.74 -99.59 135.52 79.43 16.99 3.58 52.45 19.27 7.65 0.61 3.32 0.00 14.53 2.16 19 M C C 85.58 11.91 17.69 29.59 117.04 -131.36 -97.83 134.97 56.71 41.77 1.51 44.23 10.24 2.42 0.36 1.33 0.00 38.41 3.00 20 L E E 46.94 15.78 17.95 33.51 120.88 -164.71 -109.69 141.14 35.72 64.00 0.28 30.47 4.19 0.56 0.08 0.21 0.00 63.04 1.45 21 G E E 14.50 13.76 21.89 35.60 143.09 126.88 -153.05 174.44 12.24 87.63 0.13 10.00 1.96 0.31 0.03 0.08 0.00 87.08 0.52 22 V E E 30.48 19.78 17.83 36.96 120.82 -89.43 -106.08 134.89 5.30 94.57 0.13 4.68 0.45 0.14 0.05 0.07 0.00 94.30 0.30 23 K E E 96.44 9.35 22.30 31.80 99.84 -169.17 -94.94 -22.68 6.91 92.90 0.18 4.79 1.89 0.47 0.06 0.12 0.00 92.42 0.25 24 V E E 40.92 13.64 17.71 31.90 130.09 30.73 -131.30 141.11 11.34 88.39 0.27 10.20 0.88 0.26 0.13 0.15 0.00 87.49 0.89 25 Y E E 98.26 11.18 16.29 28.06 125.67 -173.01 -127.18 139.32 45.89 52.14 1.98 39.63 3.91 1.95 0.36 1.59 0.00 50.62 1.95 26 G C T 48.85 5.41 16.58 22.98 98.65 -7.68 58.99 47.67 94.28 4.13 1.60 1.03 6.70 86.96 0.02 1.84 0.00 3.18 0.26 27 G C T 52.73 4.23 16.32 21.57 96.59 -27.54 82.90 0.97 97.30 1.54 1.16 1.88 8.69 86.37 0.02 1.54 0.00 1.40 0.10 28 Q C C 84.86 7.79 15.54 24.92 119.62 129.47 -84.91 146.01 87.02 12.94 0.04 74.57 11.46 0.22 0.00 0.05 0.00 13.29 0.40 29 T E E 82.39 6.78 20.28 28.10 116.23 -126.64 -91.78 135.23 10.79 89.21 0.00 11.10 0.20 0.01 0.00 0.00 0.00 86.45 2.24 30 V E E 11.43 22.83 12.24 34.87 124.66 -169.93 -122.14 140.39 1.69 98.31 0.00 1.84 0.01 0.00 0.00 0.00 0.00 95.64 2.51 31 T C C 75.16 3.76 24.08 27.51 121.61 -134.35 -90.43 153.42 54.76 45.23 0.01 56.03 0.33 0.02 0.00 0.00 0.00 42.54 1.06 32 A C T 55.24 12.16 15.42 27.94 109.32 -85.53 -59.19 134.52 99.20 0.68 0.12 0.07 1.34 98.15 0.00 0.07 0.00 0.32 0.04 33 G C T 39.16 6.19 20.72 27.84 95.97 23.88 89.25 -5.70 99.66 0.26 0.08 0.14 1.90 97.70 0.00 0.08 0.00 0.17 0.01 34 N C C 49.68 12.06 20.37 32.96 118.58 123.28 -79.76 146.80 87.24 12.71 0.05 83.81 2.92 0.09 0.00 0.05 0.00 12.73 0.40 35 I E E 33.78 18.19 21.80 39.64 112.60 -121.78 -84.47 126.09 1.97 98.03 0.00 2.08 0.03 0.00 0.00 0.00 0.00 97.49 0.39 36 I E E 10.28 22.91 23.38 45.39 101.22 175.39 -95.41 -31.91 0.68 99.32 0.00 0.50 0.10 0.00 0.00 0.00 0.00 99.38 0.01 37 V E E 6.58 23.34 22.96 45.80 137.45 4.30 -148.15 146.40 0.50 99.50 0.00 0.42 0.03 0.00 0.00 0.00 0.00 99.53 0.01 38 R E E 76.70 13.54 25.03 38.01 121.98 -159.52 -116.33 130.75 3.18 96.80 0.01 2.66 0.30 0.05 0.00 0.01 0.00 96.87 0.10 39 Q E E 31.89 19.39 16.42 35.40 115.22 -150.11 -98.62 126.06 25.74 74.05 0.21 22.48 2.26 0.44 0.05 0.18 0.00 73.83 0.77 40 R C C 125.74 7.45 18.22 26.53 115.01 -170.05 -104.01 121.08 71.27 27.32 1.42 37.81 19.92 14.45 0.15 1.49 0.00 24.75 1.44 41 G C S 45.06 4.36 17.89 22.88 119.26 7.93 93.26 -169.89 90.97 7.45 1.58 21.10 47.48 22.42 0.12 1.68 0.00 6.44 0.77 42 T C C 74.99 9.84 14.12 24.55 109.92 -62.72 -97.02 90.00 87.59 9.14 3.26 58.82 21.54 7.10 0.38 3.32 0.00 7.13 1.70 43 E C C 125.33 4.37 19.25 24.25 103.58 105.20 -89.31 20.03 83.96 13.07 2.97 58.22 19.92 5.72 0.46 2.83 0.00 10.30 2.55 44 F C C 44.71 20.18 11.94 30.98 119.42 74.83 -102.51 132.71 72.59 26.14 1.28 55.76 13.66 2.59 0.39 1.08 0.00 18.31 8.21 45 H C C 111.15 5.43 22.32 28.34 117.36 -164.02 -112.31 124.06 80.07 19.48 0.45 74.97 3.85 0.81 0.12 0.36 0.00 15.69 4.20 46 A C C 48.20 15.68 14.11 29.19 114.46 -133.49 -72.39 141.57 88.00 11.39 0.61 78.59 7.03 2.36 0.18 0.50 0.00 8.39 2.94 47 G C C 25.69 8.87 16.72 26.58 134.81 153.09 -123.85 -173.86 91.54 7.79 0.67 69.96 17.24 4.64 0.14 0.61 0.00 3.79 3.62 48 A C T 90.48 1.86 19.50 21.17 103.94 -65.64 -67.16 105.77 97.36 2.09 0.55 1.24 24.17 72.32 0.02 0.51 0.00 1.41 0.32 49 N C T 68.44 12.19 17.33 29.51 96.46 26.86 49.78 10.15 96.97 2.81 0.22 2.16 20.53 74.24 0.01 0.27 0.00 2.65 0.14 50 V E E 18.38 21.26 13.60 34.60 125.12 90.32 -115.49 138.66 9.54 90.45 0.01 8.02 1.06 0.04 0.00 0.01 0.00 90.50 0.36 51 G E E 20.51 8.41 24.15 33.14 140.48 172.95 -148.30 175.44 0.54 99.46 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.48 0.02 52 M E E 76.07 14.64 16.34 30.78 124.24 -111.42 -117.26 138.21 1.10 98.90 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.63 0.23 53 G C C 20.18 10.67 13.13 25.17 126.25 -143.33 -87.89 178.75 87.63 12.33 0.04 86.85 0.63 0.10 0.00 0.02 0.00 11.94 0.45 54 R C T 195.26 0.96 15.41 15.94 91.36 -88.50 -63.68 -24.70 97.51 0.63 1.85 0.55 8.90 87.68 0.03 2.29 0.00 0.42 0.13 55 D C T 95.28 3.33 16.42 20.36 93.80 52.03 -90.35 7.52 98.16 0.10 1.74 0.40 7.17 90.05 0.02 2.29 0.00 0.06 0.02 56 H C S 64.33 13.31 15.33 29.17 93.82 -109.13 71.46 21.80 94.84 3.09 2.07 19.81 59.13 15.08 0.08 2.68 0.00 2.84 0.37 57 T C C 21.68 13.22 21.35 35.77 119.56 144.08 -86.93 143.80 51.65 48.34 0.01 52.23 0.46 0.02 0.00 0.00 0.00 46.58 0.70 58 L E E 3.04 25.62 19.70 46.46 115.39 -127.35 -89.90 130.25 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.86 0.02 59 F E E 43.97 12.71 27.33 40.57 128.23 -172.27 -125.52 144.56 0.05 99.95 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 A E E 5.22 23.85 15.23 39.73 113.68 -119.05 -80.56 131.44 5.94 94.05 0.00 6.16 0.07 0.00 0.00 0.00 0.00 93.50 0.27 61 T C S 67.43 6.58 23.49 30.89 95.60 -161.56 -89.28 -19.23 93.33 6.47 0.20 25.50 60.25 6.95 0.01 0.27 0.00 6.74 0.27 62 A C S 40.09 6.64 22.10 29.50 137.37 25.70 -139.17 163.18 95.04 4.75 0.21 2.43 82.24 10.61 0.01 0.19 0.00 4.25 0.28 63 D C C 85.77 6.71 21.54 28.87 113.51 -91.73 -68.07 141.92 94.64 5.17 0.19 56.19 31.75 6.27 0.01 0.30 0.00 5.24 0.24 64 G E E 10.85 10.89 20.69 33.60 143.30 94.36 162.40 -171.85 19.02 80.97 0.01 16.98 1.81 0.11 0.00 0.01 0.00 80.51 0.58 65 V E E 44.76 9.57 24.66 35.51 123.45 -66.84 -117.08 139.18 0.44 99.56 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.53 0.04 66 V E E 4.69 25.43 16.07 42.40 117.80 -149.98 -104.37 129.19 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 67 K E E 71.93 8.99 26.21 35.60 123.86 -167.10 -117.90 136.56 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 68 F E E 22.33 22.02 15.58 37.38 122.22 -158.38 -111.63 135.89 0.58 99.42 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.01 69 E E E 76.00 7.26 21.96 29.85 126.45 -171.17 -123.98 142.56 0.82 99.18 0.00 0.70 0.04 0.00 0.00 0.00 0.00 99.25 0.01 70 V E E 50.71 13.23 12.34 26.36 117.78 -143.49 -105.13 128.70 5.68 94.29 0.03 4.98 0.39 0.04 0.00 0.01 0.00 94.37 0.19 71 K E E 113.50 4.74 13.16 19.56 114.92 -163.69 -105.02 125.97 38.99 60.51 0.50 30.96 5.91 1.67 0.09 0.42 0.00 60.19 0.77 72 G C T 46.48 2.67 12.22 16.02 123.00 2.15 89.38 -165.07 87.53 4.57 7.90 7.93 23.39 55.46 0.34 8.56 0.00 3.62 0.70 73 Q C T 152.83 1.02 10.94 12.11 97.82 -43.54 -71.93 -20.97 89.86 0.83 9.31 3.67 13.88 70.61 0.39 10.58 0.00 0.54 0.32 74 F C T 152.05 2.09 10.51 13.56 98.79 41.18 -89.31 7.36 92.01 0.80 7.19 3.72 10.79 76.09 0.29 8.31 0.00 0.54 0.25 75 G C T 47.83 4.32 12.39 18.14 98.82 -110.51 74.71 17.18 94.49 4.02 1.50 26.09 15.91 52.37 0.13 1.55 0.00 3.53 0.42 76 R C E 101.27 7.78 12.54 21.97 117.84 149.73 -88.69 140.29 53.30 46.57 0.12 46.87 3.71 0.69 0.02 0.11 0.00 48.11 0.50 77 R E E 100.67 10.71 15.51 27.00 120.55 -145.76 -103.68 136.47 7.02 92.97 0.01 6.31 0.34 0.03 0.00 0.00 0.00 93.19 0.12 78 Y E E 70.78 11.82 18.79 31.42 128.27 -169.72 -123.07 146.14 0.72 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.32 0.01 79 V E E 22.96 19.76 16.31 36.08 123.80 -157.28 -118.67 134.29 0.48 99.52 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.56 0.00 80 K E E 82.61 8.37 24.24 33.01 124.64 -161.49 -114.97 139.27 0.49 99.51 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 81 V E E 25.77 20.73 14.36 35.01 120.87 -152.87 -111.72 130.57 1.09 98.91 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.97 0.02 82 E E E 82.07 6.87 19.74 27.49 124.82 -170.66 -120.52 138.69 4.35 95.65 0.00 4.02 0.12 0.00 0.00 0.00 0.00 95.73 0.12 83 T E E 77.96 7.91 14.94 23.97 113.32 -113.87 -72.51 138.38 19.48 80.50 0.02 19.06 0.40 0.05 0.00 0.01 0.00 80.08 0.39 84 V C C 65.23 11.56 13.28 25.33 111.12 -148.19 -95.68 128.23 99.26 0.73 0.01 99.34 0.07 0.02 0.00 0.00 0.00 0.55 0.02