# 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 I C C 19.60 21.55 17.90 38.95 122.15 -165.48 -110.67 133.22 95.35 4.65 0.00 94.97 0.24 0.01 0.00 0.00 0.00 4.74 0.04 1 R E E 88.35 10.30 24.74 35.06 123.33 -162.38 -113.57 135.98 3.78 96.22 0.00 3.87 0.06 0.01 0.00 0.00 0.00 95.58 0.48 2 C E E 9.68 21.32 16.92 38.52 120.79 -153.05 -107.48 134.91 1.50 98.50 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.42 0.08 3 F E E 35.25 13.04 19.46 33.98 115.85 -145.07 -95.87 129.27 2.91 97.09 0.00 2.72 0.14 0.01 0.00 0.00 0.00 96.81 0.31 4 I E E 60.56 11.95 17.73 30.38 111.62 -167.05 -100.02 111.89 27.04 72.91 0.05 21.08 4.87 0.34 0.01 0.04 0.00 73.25 0.40 5 T C C 48.52 7.79 15.13 24.53 128.07 28.95 -128.73 151.48 67.00 32.35 0.65 35.75 21.79 8.72 0.08 0.62 0.00 32.04 1.00 6 P C T 97.48 4.53 13.51 19.28 97.94 -77.14 -64.21 -21.24 97.90 1.05 1.05 24.10 18.60 55.10 0.10 1.08 0.00 0.82 0.19 7 D C T 118.42 1.40 14.57 15.66 101.90 22.03 -93.01 38.34 97.81 1.27 0.92 36.48 14.89 46.40 0.10 0.90 0.00 1.04 0.20 8 I C C 75.70 12.45 9.33 21.69 117.26 86.26 -97.60 130.32 73.82 25.37 0.81 50.88 12.92 8.32 0.10 0.85 0.00 25.80 1.12 9 T E E 84.31 3.38 16.88 21.13 120.41 -163.29 -107.10 141.50 44.84 55.08 0.09 39.82 2.95 0.31 0.01 0.07 0.00 56.28 0.55 10 S E E 51.38 14.17 12.01 25.90 124.28 -139.09 -99.17 144.47 17.12 82.85 0.03 16.37 0.46 0.05 0.01 0.01 0.00 82.72 0.39 11 K E E 95.07 7.50 18.43 27.28 129.24 -172.29 -131.40 144.95 2.35 97.64 0.01 2.26 0.11 0.01 0.00 0.00 0.00 97.06 0.55 12 D E E 89.47 7.24 19.41 27.85 116.49 -117.05 -83.43 138.87 10.52 89.44 0.03 9.72 0.68 0.06 0.01 0.02 0.00 88.59 0.91 13 C C C 13.14 21.99 9.93 31.19 116.74 -118.99 -79.10 144.44 87.75 12.16 0.10 85.20 1.95 0.22 0.02 0.06 0.00 12.05 0.52 14 P C C 70.26 4.50 19.00 23.93 115.87 -102.76 -66.86 154.56 96.81 2.03 1.16 85.19 6.80 4.67 0.19 1.10 0.00 1.51 0.54 15 N C T 128.75 2.16 15.86 19.19 108.47 -74.13 -60.28 133.31 95.89 1.07 3.04 10.24 19.52 65.77 0.22 3.22 0.00 0.65 0.37 16 G C T 45.20 5.22 17.19 23.22 97.97 22.28 87.46 -5.13 95.89 1.64 2.47 22.15 15.71 57.66 0.18 2.83 0.00 1.19 0.28 17 H C C 66.96 13.12 16.10 29.52 119.45 110.67 -99.61 136.73 83.18 15.06 1.76 60.20 15.98 6.00 0.17 2.10 0.00 14.50 1.04 18 V E E 38.52 13.48 21.65 35.60 121.01 -149.43 -107.66 134.63 33.27 66.62 0.11 29.81 2.22 0.29 0.02 0.09 0.00 66.89 0.68 19 C E E 7.48 22.42 19.18 41.88 124.87 -161.06 -114.05 139.30 5.70 94.29 0.01 5.07 0.30 0.02 0.00 0.00 0.00 94.49 0.12 20 Y E E 26.86 16.57 23.77 40.47 129.45 -171.24 -126.14 146.93 0.75 99.25 0.00 0.62 0.04 0.00 0.00 0.00 0.00 99.33 0.01 21 T E E 23.63 17.46 20.88 38.37 124.44 -150.67 -116.59 135.88 0.69 99.31 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.01 22 K E E 42.18 14.75 20.74 35.85 124.84 -168.54 -120.29 138.74 0.97 99.02 0.01 0.82 0.05 0.01 0.00 0.00 0.00 99.10 0.02 23 T E E 39.46 13.08 19.58 33.35 124.86 -161.03 -117.51 137.62 1.15 98.82 0.03 0.97 0.07 0.02 0.01 0.01 0.00 98.87 0.05 24 W E E 57.69 13.52 17.66 32.10 127.30 -170.60 -126.14 144.21 5.77 93.87 0.36 4.85 0.58 0.20 0.17 0.15 0.00 93.83 0.20 25 C E E 48.16 9.20 16.56 27.29 119.78 -140.33 -106.02 135.38 33.77 64.81 1.42 27.89 4.76 1.06 0.63 0.66 0.00 64.26 0.74 26 D C C 43.19 10.61 11.85 24.06 112.58 -149.69 -96.09 121.49 63.92 27.01 9.06 48.12 10.63 5.23 3.91 4.85 0.02 24.88 2.37 27 A C T 77.94 3.01 12.87 17.25 94.95 -155.22 -67.89 -21.18 61.38 7.68 30.94 14.30 17.57 31.49 9.08 20.01 0.18 5.37 2.00 28 F C T 152.81 1.72 11.55 13.67 98.04 53.84 -84.24 -14.67 63.85 5.98 30.18 9.61 17.63 37.49 8.44 20.36 0.31 3.90 2.26 29 C C T 69.57 6.05 8.53 15.90 108.46 50.92 -98.86 44.70 70.20 3.55 26.25 13.66 23.43 34.91 6.14 17.97 0.15 1.80 1.95 30 S C T 96.32 1.08 12.26 13.42 97.88 -123.80 -56.31 7.72 82.83 4.34 12.83 20.29 26.13 37.64 3.00 8.79 0.03 2.50 1.63 31 I C T 94.00 5.10 9.87 16.78 116.37 88.47 -103.11 133.34 72.41 15.01 12.58 24.99 23.12 26.55 2.94 8.66 0.09 9.82 3.83 32 R C C 161.13 3.33 12.45 17.38 111.39 -124.33 -80.97 127.72 75.57 17.16 7.27 33.44 17.06 26.46 1.59 5.41 0.03 12.88 3.13 33 G C C 34.16 6.14 15.48 22.78 127.44 67.75 128.86 -175.22 75.23 22.38 2.39 33.90 22.09 20.19 0.29 2.15 0.00 20.19 1.19 34 K E E 96.24 9.85 15.05 25.72 121.47 -63.15 -103.62 138.80 46.80 52.76 0.45 38.87 5.86 1.14 0.08 0.39 0.00 52.64 1.02 35 R E E 93.23 11.45 17.70 29.71 123.26 -161.89 -116.57 135.73 9.99 89.94 0.07 8.52 1.08 0.16 0.01 0.04 0.00 89.93 0.26 36 V E E 36.45 16.79 17.39 34.26 121.47 -159.71 -114.24 131.03 1.35 98.64 0.01 1.22 0.06 0.00 0.00 0.00 0.00 98.69 0.02 37 D E E 47.78 12.96 22.49 35.38 125.63 -171.63 -120.98 139.49 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.67 0.01 38 L E E 37.83 18.66 20.53 38.23 130.52 -170.34 -127.57 145.28 1.16 98.84 0.00 0.98 0.08 0.00 0.00 0.00 0.00 98.91 0.02 39 G E E 9.20 14.52 24.52 39.64 144.19 144.83 -164.76 167.19 8.55 91.42 0.03 6.69 1.46 0.15 0.00 0.03 0.00 91.42 0.24 40 C E E 23.12 18.30 21.26 39.13 120.40 -89.20 -102.15 142.33 32.21 67.62 0.16 24.02 8.42 0.79 0.05 0.14 0.00 64.19 2.39 41 A C S 15.57 17.36 18.40 35.52 133.15 -113.94 -127.00 163.75 67.60 26.02 6.38 24.98 29.84 14.85 1.11 4.81 0.14 17.42 6.87 42 A C T 71.85 6.02 20.29 26.95 93.45 -103.59 -69.45 -26.32 95.37 2.24 2.39 2.28 38.14 55.71 0.15 1.79 0.00 1.55 0.39 43 T C T 87.90 3.09 21.91 25.10 123.27 30.55 -127.58 133.56 93.24 3.42 3.34 6.98 32.35 54.50 0.38 2.60 0.01 2.23 0.95 44 C C C 32.31 20.61 11.61 30.89 116.88 -123.27 -77.92 137.58 95.68 4.23 0.09 62.87 32.82 0.40 0.02 0.07 0.00 1.50 2.33 45 P C C 34.99 12.78 15.28 29.26 117.17 -109.22 -67.34 154.92 98.88 1.08 0.04 93.58 5.10 0.31 0.01 0.03 0.00 0.49 0.47 46 T C C 107.54 1.98 20.74 22.60 112.00 -100.03 -77.91 132.49 96.87 3.10 0.04 90.11 6.57 0.24 0.01 0.03 0.00 1.18 1.86 47 V C C 50.29 18.37 8.69 25.37 119.29 -139.66 -94.67 139.90 90.23 9.71 0.06 87.33 3.41 0.13 0.02 0.03 0.00 2.00 7.09 48 K C C 127.43 2.98 16.46 20.18 121.36 -146.25 -102.84 145.74 98.58 1.37 0.05 96.60 1.78 0.14 0.02 0.02 0.00 0.39 1.05 49 T C T 110.98 2.32 12.50 16.37 110.08 -85.66 -61.37 134.28 99.12 0.59 0.30 1.41 4.87 92.97 0.03 0.21 0.00 0.31 0.19 50 G C T 58.58 1.62 14.96 16.60 95.41 19.13 85.63 -4.00 99.40 0.41 0.18 1.37 4.68 93.42 0.01 0.17 0.00 0.31 0.04 51 V C C 44.96 12.86 10.48 24.33 122.33 115.32 -103.73 139.50 70.53 29.33 0.14 55.17 14.97 0.64 0.04 0.15 0.00 26.57 2.47 52 D E E 87.65 4.91 20.49 26.16 115.23 -143.02 -100.48 127.04 32.45 67.49 0.06 30.97 1.11 0.17 0.01 0.05 0.00 65.99 1.70 53 I E E 23.85 21.98 13.82 35.31 123.25 -165.94 -117.45 134.18 13.87 86.10 0.03 13.14 0.59 0.07 0.01 0.02 0.00 85.22 0.96 54 Q E E 78.94 8.67 25.76 34.78 123.28 -166.20 -120.22 134.90 8.99 90.98 0.03 8.28 0.42 0.05 0.01 0.02 0.00 89.13 2.10 55 C E E 16.08 21.85 17.94 39.22 123.43 -160.23 -108.16 143.38 35.80 64.11 0.09 31.27 3.24 0.23 0.03 0.08 0.00 62.73 2.42 56 C C C 14.10 17.20 17.50 35.15 120.70 -124.28 -92.94 149.05 74.84 25.01 0.16 73.42 1.86 0.28 0.05 0.10 0.00 20.52 3.77 57 S C C 67.71 7.37 21.00 29.19 96.34 -154.46 -92.55 -8.66 95.66 4.17 0.17 58.47 36.80 0.93 0.05 0.12 0.00 2.24 1.39 58 T C S 67.11 5.10 20.30 26.15 130.31 52.67 -123.06 158.07 94.85 4.16 0.99 10.62 80.35 3.44 0.35 0.38 0.00 1.26 3.59 59 D C T 75.91 10.50 16.47 27.42 108.94 -90.18 -67.75 131.11 92.71 1.13 6.16 2.90 23.91 66.03 0.67 5.12 0.01 0.56 0.79 60 N C T 102.19 5.99 19.86 26.69 92.90 6.98 64.20 26.75 93.57 1.19 5.24 5.89 17.08 70.09 0.75 4.76 0.00 0.67 0.77 61 C C C 27.13 15.73 16.39 32.31 95.95 114.60 -86.88 -19.37 83.25 10.13 6.62 29.50 25.85 27.69 1.51 4.74 0.05 3.54 7.12 62 N C C 20.96 19.34 13.22 32.22 112.95 47.53 -114.09 102.27 90.57 7.15 2.28 49.03 29.89 11.13 0.63 1.68 0.00 2.68 4.95 63 P C S 80.25 5.68 20.21 26.70 96.27 -168.70 -74.62 -16.54 95.98 2.25 1.77 25.18 54.59 16.30 0.36 1.35 0.00 1.14 1.08 64 F C S 103.19 7.30 16.61 25.03 118.86 49.85 -112.73 128.25 95.78 2.78 1.44 33.01 56.06 6.65 0.40 0.98 0.00 1.21 1.70 65 P C C 60.17 11.58 12.70 24.85 113.25 -117.65 -67.72 147.72 89.53 2.96 7.51 66.46 10.35 11.83 1.69 6.53 0.00 1.65 1.50 66 T C C 91.09 5.37 14.11 20.86 106.48 -140.38 -91.21 53.44 83.68 7.02 9.29 55.70 14.30 12.79 1.95 7.95 0.01 3.66 3.64 67 R C C 125.32 7.21 10.83 19.57 115.09 76.99 -92.68 132.77 82.41 9.57 8.02 54.93 19.14 7.92 1.69 6.64 0.01 4.84 4.82 68 K C C 145.03 2.95 11.71 16.50 116.04 -133.78 -89.37 139.46 91.53 5.76 2.71 74.38 13.68 2.84 0.82 2.08 0.00 3.04 3.14 69 R C C 153.36 4.45 9.95 16.50 114.11 -103.89 -78.66 139.80 99.10 0.84 0.06 98.13 1.00 0.13 0.02 0.02 0.00 0.35 0.35 70 P C C 96.16 4.22 12.36 18.18 110.18 -92.58 -68.60 144.58 99.96 0.03 0.01 99.82 0.12 0.04 0.00 0.00 0.00 0.01 0.01