# 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 108.21 6.54 10.82 18.77 113.68 -145.81 -88.59 131.79 99.96 0.04 0.01 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.01 1 D C C 101.96 3.52 10.15 15.41 111.23 -154.36 -90.26 117.38 94.44 1.54 4.02 89.84 1.10 4.35 0.72 2.51 0.00 0.84 0.62 2 T C C 98.46 3.61 9.06 14.46 104.84 -151.55 -90.51 21.93 92.44 2.38 5.18 42.38 20.64 28.58 0.46 5.81 0.00 1.38 0.76 3 K C C 144.08 2.95 10.88 15.43 107.51 95.17 -88.83 61.18 90.61 4.46 4.94 41.17 25.02 23.85 0.41 5.62 0.00 2.73 1.20 4 T C S 74.77 6.57 10.73 18.95 117.36 96.12 -98.73 132.54 95.13 4.72 0.15 44.80 50.65 0.56 0.04 0.11 0.00 2.81 1.03 5 P C C 82.71 4.83 14.63 20.81 114.06 -108.51 -67.28 147.82 94.36 5.57 0.08 81.91 11.65 0.73 0.01 0.08 0.00 5.04 0.58 6 V C C 63.18 14.14 11.81 25.72 119.02 -123.26 -97.42 136.37 67.99 31.93 0.09 60.79 5.62 0.42 0.02 0.08 0.00 31.93 1.14 7 T E E 57.25 9.70 19.61 29.97 124.47 -162.94 -119.14 138.89 23.11 76.86 0.03 20.45 2.25 0.10 0.01 0.03 0.00 76.35 0.82 8 L E E 63.99 12.20 20.11 32.54 116.30 -124.04 -85.13 135.66 10.15 89.83 0.02 9.34 0.55 0.05 0.00 0.01 0.00 89.52 0.53 9 A E E 8.87 21.11 16.35 37.35 130.57 -167.34 -122.49 154.40 7.27 92.73 0.01 6.52 0.58 0.03 0.00 0.00 0.00 92.80 0.07 10 K E E 93.87 6.75 24.82 32.06 118.83 -129.29 -106.22 132.67 2.75 97.25 0.00 2.44 0.13 0.01 0.00 0.00 0.00 97.37 0.05 11 V E E 23.14 21.07 12.98 34.16 109.44 -118.37 -75.43 123.87 0.67 99.33 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 12 I E E 84.12 5.01 20.02 26.01 100.56 174.71 -97.02 -32.60 1.32 98.68 0.00 0.88 0.20 0.01 0.00 0.00 0.00 98.90 0.00 13 K E E 103.13 3.65 22.14 26.33 137.58 -0.80 -151.98 150.32 0.42 99.58 0.00 0.28 0.05 0.00 0.00 0.00 0.00 99.67 0.00 14 V E E 56.56 16.90 12.78 29.07 117.63 -143.09 -112.68 124.89 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 15 L E E 79.33 6.83 16.81 24.91 112.79 -168.11 -100.23 124.69 1.40 98.59 0.00 1.14 0.11 0.01 0.00 0.00 0.00 98.72 0.01 16 G E E 33.53 6.04 16.54 23.84 138.08 -5.56 165.42 -174.42 4.70 95.29 0.01 3.44 0.92 0.08 0.00 0.00 0.00 95.51 0.05 17 R E E 137.00 5.95 12.79 20.74 122.70 -89.96 -109.18 143.60 9.84 90.12 0.04 8.93 0.64 0.06 0.01 0.02 0.00 89.47 0.86 18 T E E 84.84 5.40 10.55 17.78 118.30 -151.50 -106.75 139.24 40.15 59.45 0.40 33.61 5.61 0.82 0.13 0.31 0.00 56.81 2.70 19 G C T 48.78 2.08 11.65 14.72 123.52 16.36 99.71 -169.89 81.51 4.81 13.68 12.85 32.77 36.24 1.08 12.58 0.01 3.38 1.07 20 S C T 102.56 0.70 10.34 10.83 95.79 -61.59 -72.07 -19.92 80.79 0.76 18.45 3.88 20.87 54.98 1.00 18.43 0.00 0.41 0.42 21 R C T 181.02 1.21 10.34 12.09 100.12 54.04 -89.60 9.33 79.42 0.95 19.63 3.03 13.12 61.70 1.03 20.09 0.00 0.55 0.48 22 G C T 43.77 4.86 11.37 17.61 105.46 -86.48 81.54 4.12 86.93 2.32 10.75 14.85 20.03 51.67 1.06 10.19 0.00 1.47 0.73 23 G C C 42.09 4.74 13.97 19.94 101.67 -31.91 67.80 3.09 80.95 17.64 1.41 46.93 16.06 17.85 0.23 1.33 0.00 16.20 1.41 24 V E E 53.17 10.28 12.88 24.60 121.12 93.43 -104.68 141.32 38.20 61.73 0.08 34.58 2.34 0.19 0.02 0.05 0.00 62.07 0.76 25 T E E 39.60 11.18 16.73 29.37 121.86 -152.70 -110.19 138.75 5.50 94.48 0.02 5.09 0.19 0.02 0.01 0.01 0.00 94.57 0.12 26 Q E E 57.98 11.73 18.86 31.45 122.31 -146.58 -108.59 138.57 1.17 98.82 0.01 1.00 0.06 0.01 0.00 0.00 0.00 98.91 0.02 27 V E E 15.00 18.19 16.40 35.42 124.94 -164.88 -119.93 138.49 1.03 98.96 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.04 0.01 28 R E E 81.11 9.01 22.86 32.65 118.09 -145.65 -104.01 130.67 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 29 V E E 13.86 20.38 15.59 36.26 122.73 -169.25 -116.83 135.58 1.61 98.39 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.47 0.03 30 E E E 70.53 7.50 21.79 30.15 120.89 -160.19 -113.02 131.87 2.98 97.00 0.02 2.62 0.14 0.01 0.00 0.01 0.00 97.14 0.08 31 F E E 49.38 14.55 13.03 28.49 114.04 -135.96 -90.54 128.21 13.53 86.32 0.15 11.45 1.62 0.28 0.04 0.09 0.00 86.14 0.39 32 L C E 76.16 7.31 13.57 22.42 110.50 -156.39 -95.74 134.70 55.30 43.73 0.98 34.03 15.45 5.90 0.13 0.86 0.00 42.91 0.70 33 E C S 144.15 2.25 13.18 16.11 100.85 -85.56 -83.56 -14.23 77.66 21.27 1.07 17.85 38.35 21.14 0.09 1.13 0.00 20.46 0.98 34 D C C 78.04 4.58 10.57 16.95 112.83 67.89 -109.43 106.05 88.57 10.40 1.04 51.48 23.34 13.62 0.13 1.15 0.00 9.31 0.97 35 T C T 102.77 3.56 9.72 15.35 95.83 -161.54 -75.31 -14.70 94.18 4.03 1.79 23.07 33.28 37.90 0.18 1.79 0.00 3.20 0.58 36 T C S 113.30 0.99 12.61 13.14 97.55 57.76 -88.97 -12.07 88.65 9.93 1.42 18.19 36.52 33.94 0.12 1.45 0.00 9.08 0.70 37 R C C 115.72 5.88 11.80 19.45 124.49 52.56 -122.73 137.65 57.38 41.80 0.81 42.32 11.23 3.01 0.11 0.78 0.00 41.69 0.84 38 T E E 61.55 10.13 12.54 23.94 127.16 -173.64 -124.78 143.33 21.40 78.51 0.10 19.15 1.42 0.19 0.02 0.06 0.00 78.77 0.40 39 I E E 57.31 10.33 15.66 27.70 120.43 -157.13 -114.68 129.70 3.49 96.47 0.05 3.04 0.33 0.05 0.02 0.02 0.00 96.40 0.14 40 V E E 70.06 10.48 16.63 28.12 121.00 -163.69 -115.27 130.47 1.83 98.14 0.03 1.69 0.09 0.01 0.01 0.01 0.00 98.10 0.10 41 R E E 95.41 9.72 17.23 27.90 128.59 -175.82 -129.55 144.68 7.62 92.33 0.06 6.52 0.59 0.08 0.01 0.02 0.00 92.70 0.08 42 N E E 90.31 5.96 19.58 26.19 111.46 -122.14 -81.51 126.34 15.11 84.79 0.09 12.39 2.12 0.18 0.02 0.04 0.00 85.01 0.23 43 V E E 26.29 19.59 10.36 29.15 118.96 -158.62 -105.77 132.99 14.50 85.42 0.08 13.86 0.56 0.06 0.05 0.03 0.00 79.97 5.47 44 K C E 146.89 2.39 18.99 21.54 103.69 -163.67 -95.19 13.18 61.54 38.38 0.09 32.47 29.36 0.88 0.01 0.09 0.00 35.81 1.38 45 G C S 32.19 3.79 20.59 24.45 139.19 -4.80 152.90 -178.19 87.19 12.79 0.02 4.70 80.82 0.99 0.00 0.02 0.00 13.27 0.21 46 P C C 80.17 5.71 19.34 25.80 114.68 -39.63 -67.59 143.31 86.81 13.16 0.03 79.92 5.95 0.27 0.00 0.03 0.00 13.20 0.62 47 V C C 19.34 22.42 10.13 31.59 121.03 -150.12 -108.25 137.33 59.03 40.92 0.05 61.34 0.83 0.05 0.03 0.02 0.00 17.91 19.83 48 R C C 129.14 3.26 22.47 25.75 128.11 -164.65 -118.77 156.88 75.22 24.71 0.06 76.25 1.48 0.11 0.03 0.03 0.00 10.40 11.70 49 E C T 126.81 6.41 14.11 22.36 108.96 -79.99 -58.66 132.34 98.18 1.41 0.41 0.28 2.38 96.04 0.04 0.24 0.00 0.86 0.16 50 G C T 52.03 2.55 18.14 21.10 95.81 22.30 88.32 -5.06 99.02 0.58 0.39 0.59 2.97 95.55 0.04 0.30 0.00 0.52 0.03 51 D C C 46.43 12.12 14.04 27.29 118.20 128.64 -75.89 148.50 89.88 9.59 0.53 85.83 3.89 0.28 0.14 0.34 0.00 8.89 0.63 52 I E E 75.04 9.76 20.13 30.65 119.30 -138.34 -106.50 131.50 12.15 86.76 1.09 11.79 0.54 0.21 0.92 0.26 0.00 80.06 6.23 53 L E E 18.96 21.24 16.33 37.28 122.87 -162.96 -111.61 137.72 8.38 88.24 3.38 7.19 0.69 0.47 2.96 0.57 0.00 87.33 0.77 54 V E E 56.19 9.76 23.19 33.35 121.62 -157.61 -113.63 132.36 15.64 79.14 5.22 13.72 1.11 0.60 4.32 0.76 0.00 78.79 0.70 55 L E E 28.06 19.10 14.83 33.84 111.11 -131.70 -84.82 125.44 42.74 45.23 12.04 36.84 3.00 1.43 9.63 1.92 0.00 45.92 1.25 56 M C C 85.28 7.08 18.93 26.65 104.35 -148.64 -75.37 -38.61 47.84 11.11 41.06 38.88 4.46 3.94 35.76 5.19 0.01 10.84 0.92 57 E H H 104.90 4.50 18.09 22.98 95.96 40.20 -68.30 -36.73 33.00 4.72 62.29 21.95 5.53 6.49 54.89 6.40 0.03 4.10 0.61 58 S H H 40.43 7.65 15.14 24.40 94.47 57.08 -68.14 -37.08 24.81 1.80 73.40 17.68 3.73 5.14 65.10 6.63 0.01 1.35 0.36 59 E H H 77.16 8.36 14.61 24.24 92.94 54.85 -65.68 -40.08 10.04 0.44 89.52 6.64 1.68 2.78 85.02 3.47 0.01 0.30 0.10 60 R H H 124.41 2.88 16.40 19.69 92.39 51.65 -65.25 -40.74 7.30 0.31 92.38 4.06 1.21 2.67 88.60 3.15 0.01 0.22 0.07 61 E H H 96.51 2.59 15.50 18.47 92.27 50.31 -65.51 -39.84 8.16 0.30 91.54 3.99 1.24 3.34 87.70 3.43 0.02 0.21 0.08 62 A H H 39.33 5.99 11.48 19.70 92.05 52.60 -65.55 -38.94 11.48 0.26 88.26 5.24 1.70 4.78 83.40 4.60 0.01 0.16 0.09 63 R H H 137.30 2.86 12.34 16.46 92.29 53.53 -65.85 -37.40 20.47 0.40 79.14 7.29 2.60 10.39 71.72 7.60 0.03 0.23 0.16 64 R H H 164.62 1.31 11.44 13.05 92.92 54.26 -68.49 -31.16 35.85 0.59 63.55 10.35 3.82 21.15 57.07 6.99 0.04 0.32 0.28 65 L C H 116.44 2.20 9.12 12.67 95.86 55.78 -79.28 -14.28 55.25 0.74 44.00 29.34 1.84 23.10 41.11 3.83 0.00 0.35 0.42 66 R C C 165.60 2.80 11.31 15.69 101.57 85.58 -74.85 53.02 99.82 0.06 0.12 99.53 0.13 0.20 0.09 0.00 0.00 0.03 0.01