# 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 T C C 80.62 6.33 12.14 19.97 116.53 -164.13 -99.17 141.57 99.84 0.14 0.02 99.69 0.15 0.06 0.01 0.00 0.00 0.06 0.03 1 K C C 148.32 2.91 11.34 15.80 110.84 -129.60 -88.70 122.17 90.70 3.30 6.00 75.65 4.42 10.86 2.96 2.44 0.00 1.81 1.86 2 G C C 45.45 5.38 9.95 16.79 114.85 -79.38 89.50 172.21 85.15 4.59 10.27 42.56 24.54 19.08 4.08 5.33 0.01 2.26 2.14 3 T C C 93.15 4.25 10.79 16.42 108.10 -77.78 -86.96 90.04 77.64 7.41 14.95 51.18 16.53 9.71 7.17 7.76 0.02 3.76 3.88 4 S C C 76.37 3.98 10.98 16.55 106.19 82.69 -81.21 69.87 61.37 5.99 32.65 37.14 12.51 12.60 11.93 20.10 0.04 3.60 2.09 5 S C C 75.38 4.23 12.03 17.66 101.65 86.46 -85.42 -0.63 57.16 5.68 37.15 26.65 13.42 18.59 13.86 22.05 0.13 3.35 1.96 6 F C C 109.73 7.63 10.90 19.76 106.87 74.56 -93.71 37.60 57.13 7.41 35.47 25.74 14.69 18.59 13.94 19.70 0.31 3.99 3.04 7 G C C 34.60 6.50 12.41 20.37 121.53 -162.31 100.93 -174.98 70.12 8.22 21.67 37.35 18.56 15.16 9.91 10.97 0.10 4.31 3.63 8 K C C 143.03 3.23 12.38 16.94 111.05 -53.34 -87.50 123.03 66.84 10.46 22.71 35.46 17.28 15.31 8.97 12.78 0.16 5.73 4.32 9 R C C 132.36 5.08 9.69 16.46 114.90 -131.73 -93.40 136.26 68.70 9.07 22.23 38.67 14.30 16.27 7.14 14.56 0.07 4.90 4.08 10 R C T 171.18 2.57 10.94 15.04 100.11 -80.49 -67.40 -13.33 82.18 3.18 14.64 17.29 14.87 49.95 3.64 10.82 0.02 1.75 1.66 11 N C T 124.95 2.03 12.41 15.18 99.17 27.62 -89.42 20.20 89.15 1.62 9.23 13.68 21.66 53.78 1.53 7.67 0.00 0.99 0.69 12 K C C 102.62 7.05 12.01 20.58 122.49 107.34 -105.24 145.49 84.85 12.54 2.61 42.39 35.71 7.22 0.63 2.11 0.01 7.22 4.70 13 T C C 68.50 7.62 14.78 23.67 115.78 -126.75 -97.53 133.84 76.35 23.29 0.35 66.18 7.91 1.47 0.07 0.34 0.00 21.77 2.25 14 H E E 60.25 13.54 14.38 28.50 126.65 -167.68 -118.11 144.80 42.92 56.99 0.08 39.40 3.11 0.23 0.02 0.08 0.00 55.92 1.25 15 T E E 42.18 10.62 19.10 30.89 124.56 -153.41 -117.91 141.58 12.37 87.61 0.02 11.42 0.72 0.04 0.00 0.02 0.00 86.99 0.80 16 L E E 66.16 10.11 19.29 30.24 117.09 -124.23 -89.26 134.82 4.11 95.87 0.01 4.10 0.16 0.01 0.01 0.01 0.00 82.83 12.88 17 C C C 11.57 18.91 11.66 31.37 109.61 -117.41 -72.50 127.08 75.83 24.15 0.02 77.44 0.39 0.03 0.00 0.01 0.00 20.53 1.59 18 R C T 140.98 4.98 18.15 24.38 93.46 -150.44 -69.48 -26.51 99.53 0.14 0.33 0.31 4.21 95.02 0.01 0.32 0.00 0.09 0.03 19 R C T 128.61 6.07 16.49 23.49 99.60 46.74 -81.57 -39.11 99.61 0.05 0.34 0.04 1.99 97.72 0.00 0.22 0.00 0.02 0.01 20 C C T 59.73 7.29 14.54 23.19 103.26 18.95 -109.92 -12.73 99.62 0.08 0.30 0.18 2.83 96.72 0.01 0.21 0.00 0.04 0.01 21 G C C 42.69 4.63 16.47 22.20 96.75 -114.18 84.04 3.84 98.38 1.49 0.13 84.55 8.44 5.32 0.04 0.10 0.00 0.82 0.73 22 S C C 39.96 9.81 14.36 25.68 119.29 137.38 -74.40 150.18 95.21 4.77 0.02 89.38 6.06 0.17 0.00 0.02 0.00 3.78 0.58 23 K E E 107.54 8.07 20.67 29.33 120.37 -134.40 -105.70 138.30 23.58 76.41 0.02 21.35 2.93 0.03 0.00 0.01 0.00 72.47 3.20 24 A E E 17.04 18.09 17.11 35.19 131.20 -158.77 -126.85 151.86 13.37 86.63 0.00 12.21 0.40 0.00 0.00 0.00 0.00 87.29 0.10 25 Y E E 49.08 12.59 20.36 34.15 131.31 -168.45 -132.22 148.45 1.30 98.70 0.00 1.24 0.06 0.00 0.00 0.00 0.00 98.15 0.54 26 H E E 42.65 12.35 17.93 31.73 109.63 -116.88 -80.16 123.63 7.84 92.15 0.01 7.76 0.28 0.01 0.00 0.01 0.00 89.95 1.98 27 L C T 62.68 13.06 15.52 29.33 93.85 -150.05 -67.96 -29.58 97.36 0.52 2.11 1.48 6.17 89.10 0.05 2.69 0.00 0.42 0.09 28 Q C T 118.73 3.58 17.87 21.74 97.47 46.64 -83.51 -30.85 96.53 0.62 2.85 1.37 8.21 86.29 0.15 3.39 0.00 0.42 0.18 29 K C T 102.81 5.43 17.76 23.62 118.20 18.08 -127.07 123.71 96.42 0.66 2.91 5.39 12.87 77.18 0.14 3.80 0.00 0.43 0.19 30 S C T 54.46 11.62 15.64 27.81 96.78 -139.87 -55.27 15.26 98.29 1.39 0.32 16.42 11.85 69.94 0.03 0.35 0.00 1.29 0.12 31 T E E 52.04 6.99 21.51 29.61 132.02 102.69 -126.35 154.93 11.68 88.25 0.07 8.61 2.79 0.29 0.04 0.05 0.00 64.83 23.39 32 C E E 15.65 18.51 13.90 32.85 115.41 -115.15 -84.53 142.25 20.59 79.38 0.04 19.80 0.61 0.04 0.02 0.02 0.00 63.35 16.17 33 G C T 27.29 11.06 17.53 29.39 96.32 -135.96 -66.90 -41.28 98.98 0.60 0.42 2.26 4.94 91.75 0.01 0.48 0.00 0.45 0.11 34 K C T 132.05 4.54 19.96 25.22 94.58 39.93 -73.20 -32.15 99.54 0.11 0.34 0.15 2.19 97.28 0.00 0.29 0.00 0.06 0.02 35 C C T 57.09 8.33 17.08 26.59 99.72 26.99 -104.10 -4.59 99.58 0.11 0.31 0.21 2.55 96.91 0.00 0.24 0.00 0.06 0.02 36 G C C 29.99 8.48 16.83 26.64 96.38 -109.83 84.38 8.14 93.52 6.13 0.35 67.76 16.87 9.14 0.13 0.24 0.00 2.82 3.04 37 Y C C 69.63 10.98 13.90 26.44 116.39 145.79 -80.43 138.28 86.97 12.67 0.37 75.63 10.65 0.51 0.21 0.19 0.01 7.13 5.68 38 P E B 68.19 7.03 17.16 25.16 108.33 -105.62 -67.71 144.96 36.83 58.44 4.73 23.86 7.78 2.32 2.32 2.32 0.11 15.87 45.42 39 A C C 45.11 11.92 10.50 22.69 115.87 -129.00 -78.29 150.26 81.84 4.16 14.00 57.85 14.33 8.33 2.16 13.32 0.00 2.78 1.23 40 K C C 163.98 1.54 14.57 16.19 98.60 -121.53 -80.84 -7.14 78.95 3.91 17.14 43.12 22.92 12.67 2.78 14.72 0.00 2.32 1.46 41 R C C 142.99 3.32 11.22 16.38 122.46 68.13 -115.30 144.49 71.57 11.40 17.04 45.20 16.21 9.87 3.42 13.94 0.01 7.79 3.55 42 K C C 145.81 3.30 10.79 16.17 114.10 -122.26 -86.43 132.63 75.90 19.44 4.67 64.03 7.59 3.11 1.87 2.97 0.00 14.16 6.26 43 R C C 122.36 7.59 8.69 17.70 118.07 -146.02 -93.62 137.26 78.32 19.32 2.36 69.77 5.62 1.94 1.24 1.13 0.00 14.80 5.51 44 K C C 155.60 1.84 12.29 15.10 111.80 -144.35 -96.29 129.31 83.10 14.03 2.86 64.97 13.47 4.08 1.54 1.47 0.00 10.69 3.77 45 Y C C 144.42 4.75 9.56 16.07 114.75 -116.54 -99.37 118.66 86.98 6.14 6.88 53.10 23.27 10.64 4.14 2.83 0.01 3.80 2.22 46 N C C 98.66 4.36 9.90 15.95 112.38 -163.17 -103.23 110.34 81.78 3.38 14.84 50.40 16.25 15.05 9.43 5.37 0.01 1.70 1.80 47 W C C 171.88 3.44 10.68 15.57 99.37 152.87 -86.09 -11.73 69.61 1.79 28.59 28.96 16.76 24.37 21.26 6.89 0.04 0.82 0.89 48 S C H 52.49 4.87 10.68 17.36 110.54 85.02 -85.99 122.57 57.65 1.61 40.74 32.32 13.01 13.10 33.66 6.31 0.03 0.69 0.89 49 A H H 67.77 2.96 12.28 16.50 94.27 -129.60 -63.94 -36.67 14.10 0.37 85.53 5.97 3.63 5.86 78.58 5.59 0.04 0.20 0.13 50 K H H 125.34 2.31 13.65 16.57 93.01 54.25 -65.95 -38.63 10.53 0.63 88.84 4.35 1.89 5.32 81.28 6.49 0.05 0.49 0.13 51 A H H 36.77 6.56 11.16 19.96 92.47 52.38 -65.80 -39.27 9.35 0.79 89.85 4.23 1.71 4.43 81.58 7.18 0.05 0.69 0.14 52 K H H 116.79 3.69 13.94 18.73 93.09 52.85 -66.29 -38.18 12.63 1.00 86.37 5.36 2.37 6.22 79.19 5.81 0.08 0.75 0.23 53 R H H 145.27 2.18 14.45 16.97 94.91 51.63 -69.74 -33.26 21.93 1.32 76.75 8.17 3.81 11.51 70.73 4.38 0.13 0.82 0.45 54 R H H 126.22 5.07 12.95 19.33 96.94 59.51 -73.99 -28.75 34.63 1.76 63.61 17.25 6.44 12.65 58.52 3.42 0.07 0.88 0.78 55 N C H 90.39 6.10 12.56 19.82 102.48 72.96 -82.04 5.33 49.29 1.84 48.87 28.42 7.50 13.82 45.28 3.26 0.03 0.88 0.81 56 T C H 84.43 4.65 12.68 18.59 100.85 90.35 -86.40 -13.88 55.85 2.06 42.09 22.44 13.08 21.18 37.41 3.88 0.09 0.96 0.94 57 T C H 86.91 3.68 13.26 17.87 101.88 56.85 -89.99 -6.38 65.84 1.91 32.24 21.46 18.83 25.87 28.46 3.52 0.08 0.79 1.00 58 G C C 42.10 5.32 12.05 18.85 108.84 -123.09 76.52 31.99 85.08 1.48 13.44 35.25 28.29 21.94 9.09 3.96 0.01 0.63 0.84 59 T C C 86.43 4.09 12.47 17.74 104.48 51.25 -88.71 -3.09 71.52 2.08 26.40 32.52 21.50 18.12 19.28 6.46 0.03 0.87 1.22 60 G C H 42.13 4.53 13.81 19.47 101.63 -9.12 55.27 -42.95 56.58 2.28 41.14 21.32 17.81 18.92 28.45 11.20 0.12 1.08 1.11 61 R H H 138.45 4.44 13.29 18.80 94.86 55.98 -73.17 -26.28 45.60 3.72 50.68 22.91 9.92 13.90 36.70 12.92 0.14 2.14 1.37 62 M H H 84.42 8.35 11.33 20.90 97.32 54.98 -82.17 2.54 40.92 3.55 55.53 25.71 6.48 9.41 41.88 13.15 0.04 2.19 1.15 63 R H H 141.81 3.48 14.28 19.05 95.01 108.17 -67.94 -34.37 36.57 2.48 60.95 17.24 6.84 13.28 50.33 9.88 0.07 1.58 0.78 64 H H H 109.29 4.38 14.22 19.56 96.72 52.16 -79.42 -11.55 31.89 1.75 66.36 14.69 5.11 12.54 55.61 10.33 0.06 1.13 0.53 65 L H H 72.37 8.49 12.26 21.94 95.88 74.93 -68.65 -36.51 16.50 1.05 82.45 9.68 2.87 4.88 74.26 7.34 0.02 0.71 0.24 66 K H H 118.73 3.50 15.32 19.68 94.22 58.31 -67.63 -37.17 15.06 1.36 83.58 7.40 2.41 5.91 76.89 6.06 0.04 1.04 0.25 67 I H H 87.73 3.60 15.28 19.58 94.05 51.83 -68.88 -39.40 14.11 2.29 83.60 6.93 2.57 5.64 77.08 5.46 0.07 1.90 0.36 68 V H H 60.74 6.26 13.49 21.36 93.16 53.78 -67.29 -41.26 14.43 2.46 83.11 8.39 2.59 4.59 78.07 3.95 0.04 1.99 0.38 69 Y H H 107.97 5.29 13.77 20.35 93.25 51.34 -66.19 -39.76 13.54 2.04 84.42 7.74 1.96 4.72 77.90 5.49 0.04 1.86 0.30 70 R H H 128.15 2.79 14.01 17.49 92.93 52.96 -65.87 -38.89 11.19 1.19 87.61 4.46 1.74 5.48 78.38 8.59 0.08 1.08 0.20 71 R H H 129.59 3.40 13.07 17.52 93.02 52.11 -67.92 -36.96 13.31 0.92 85.77 4.30 1.98 7.41 76.90 8.38 0.09 0.73 0.21 72 F H H 110.85 5.17 11.16 17.70 97.85 47.78 -82.56 -24.38 21.93 1.29 76.78 7.95 3.63 11.35 67.70 7.96 0.13 0.85 0.43 73 R H H 152.97 2.83 11.86 15.90 95.49 64.26 -72.73 -26.37 35.83 1.94 62.24 10.30 6.26 20.66 54.14 6.48 0.24 1.04 0.88 74 H C T 135.76 2.19 12.01 14.84 100.92 43.23 -91.90 3.44 61.55 1.05 37.40 9.21 8.89 42.28 32.72 5.67 0.10 0.50 0.63 75 G C T 44.79 4.08 11.85 17.45 107.27 -109.37 85.43 15.94 83.41 1.96 14.63 27.78 14.95 41.19 9.67 4.54 0.01 1.05 0.82 76 F C C 121.38 5.63 9.36 16.73 115.65 92.64 -90.98 131.47 78.96 12.42 8.62 54.67 13.59 9.80 5.11 3.68 0.02 6.15 6.98 77 R C C 145.85 3.29 9.96 15.27 119.50 -166.18 -110.53 136.94 84.59 11.14 4.26 70.38 7.84 5.52 2.33 1.93 0.00 5.97 6.03 78 E C C 142.89 2.65 9.09 13.74 112.34 -129.45 -80.12 132.83 88.63 6.34 5.03 39.55 17.31 32.52 1.38 3.25 0.01 3.58 2.41 79 G C T 60.95 1.20 10.50 12.03 106.29 11.85 84.68 -8.66 95.26 1.96 2.78 21.19 32.10 42.02 0.37 2.46 0.00 1.19 0.66 80 T C C 101.55 2.12 8.92 12.36 115.18 58.30 -97.69 136.81 94.57 3.00 2.43 42.56 40.43 11.46 0.32 2.31 0.00 1.48 1.44 81 T C C 103.13 1.81 9.19 12.48 116.10 -109.52 -92.34 133.55 95.75 4.04 0.21 57.05 38.43 0.85 0.06 0.13 0.00 1.83 1.65 82 P C C 92.77 4.11 7.56 13.77 114.28 -109.15 -66.91 146.64 96.65 3.12 0.23 81.90 13.53 1.18 0.07 0.16 0.00 1.73 1.44 83 K C C 151.86 1.90 8.49 12.26 114.74 -116.01 -87.26 135.98 96.02 3.85 0.13 83.31 12.23 0.46 0.05 0.07 0.00 2.10 1.78 84 P C C 104.14 2.66 8.04 12.78 112.05 -106.15 -65.43 145.99 94.55 5.21 0.24 93.40 0.94 0.75 0.08 0.09 0.00 2.08 2.66 85 K C C 157.34 2.09 9.74 13.53 109.94 -120.65 -84.95 128.14 99.85 0.13 0.02 99.74 0.12 0.05 0.00 0.00 0.00 0.05 0.03