# 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 G C C 37.40 6.86 14.77 22.77 126.36 -131.44 118.22 149.87 99.91 0.08 0.01 99.60 0.28 0.06 0.00 0.00 0.00 0.04 0.01 1 P C C 98.67 4.34 12.93 18.66 108.64 -55.38 -74.63 127.91 93.01 1.70 5.29 71.49 3.27 18.46 1.06 3.98 0.00 1.04 0.70 2 G C C 50.37 4.90 12.08 18.43 107.92 -3.54 -66.07 15.43 88.44 3.76 7.79 41.57 17.57 28.91 0.90 7.56 0.00 2.03 1.46 3 S C T 79.36 4.19 13.01 18.87 109.94 103.52 -82.69 121.93 82.92 5.00 12.09 26.96 22.58 33.35 1.18 11.43 0.01 2.85 1.65 4 G C C 42.78 7.07 16.13 24.02 105.71 20.74 87.33 6.62 83.72 7.31 8.97 33.07 22.94 28.13 0.85 8.65 0.00 4.96 1.40 5 S C C 38.95 12.70 15.77 28.76 118.39 122.25 -93.84 145.26 79.03 17.75 3.21 59.63 14.34 4.34 0.46 3.16 0.00 16.64 1.43 6 L E E 34.08 18.45 16.86 34.96 120.00 -131.39 -106.51 133.81 29.02 70.56 0.43 25.15 3.19 0.68 0.09 0.32 0.00 69.41 1.16 7 T E E 58.24 9.86 23.95 34.02 121.73 -157.70 -111.25 133.27 5.40 94.57 0.03 4.98 0.30 0.03 0.01 0.01 0.00 94.45 0.23 8 C E E 14.43 21.29 16.20 37.27 119.87 -152.91 -104.42 135.66 2.38 97.61 0.00 2.19 0.09 0.01 0.00 0.00 0.00 97.66 0.05 9 V E E 34.24 11.87 20.78 33.82 120.94 -149.53 -105.26 138.76 1.10 98.90 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.87 0.08 10 T E E 58.59 11.39 18.17 30.09 120.99 -158.65 -113.32 131.41 3.30 96.69 0.01 2.81 0.31 0.03 0.00 0.00 0.00 96.68 0.15 11 S E E 31.82 10.87 13.65 26.14 129.42 160.65 -131.73 148.36 21.66 78.28 0.05 18.85 1.92 0.20 0.01 0.04 0.00 78.53 0.46 12 K C E 150.18 2.69 14.70 18.49 102.53 -145.98 -90.88 5.90 57.80 41.86 0.33 29.96 23.25 3.92 0.03 0.33 0.00 41.95 0.57 13 S C S 59.63 3.88 12.01 17.44 128.10 77.50 -112.05 167.71 82.50 16.28 1.22 30.32 36.21 16.31 0.14 1.24 0.00 14.54 1.25 14 I C S 131.36 3.09 12.05 16.54 94.74 -90.00 -67.66 -21.63 96.80 1.86 1.34 24.73 36.41 35.68 0.13 1.38 0.00 1.34 0.35 15 F C S 142.25 3.13 12.60 16.92 102.38 50.67 -94.98 9.32 90.41 8.24 1.35 21.67 35.43 33.71 0.12 1.34 0.00 6.98 0.75 16 G C C 30.41 6.29 14.24 22.03 126.34 -97.70 94.58 169.33 59.89 39.74 0.38 46.26 11.01 2.09 0.07 0.38 0.00 38.66 1.52 17 I E E 81.72 11.77 11.84 23.98 118.14 -55.45 -94.69 137.38 29.44 70.47 0.10 26.73 2.06 0.28 0.03 0.07 0.00 69.40 1.44 18 T E E 70.44 5.37 18.26 24.77 126.63 -169.98 -121.41 145.97 11.64 88.33 0.03 10.02 1.06 0.12 0.00 0.02 0.00 88.54 0.24 19 T E E 70.13 12.74 13.73 26.77 123.83 -140.52 -109.01 140.78 5.03 94.96 0.01 4.69 0.16 0.02 0.00 0.00 0.00 95.05 0.08 20 E E E 77.72 8.52 18.16 27.99 131.51 -176.24 -134.39 149.95 1.29 98.71 0.00 1.18 0.07 0.00 0.00 0.00 0.00 98.66 0.08 21 D E E 94.36 5.61 19.68 26.64 116.23 -116.80 -85.52 137.63 6.45 93.54 0.00 6.17 0.26 0.01 0.00 0.00 0.00 92.70 0.86 22 C C C 13.06 22.12 9.09 30.36 116.13 -115.92 -75.93 142.22 93.07 6.91 0.01 93.44 0.56 0.02 0.00 0.01 0.00 5.66 0.31 23 P C C 65.30 4.63 17.85 23.29 116.80 -104.57 -65.92 156.72 99.47 0.29 0.24 97.35 1.42 0.81 0.06 0.12 0.00 0.14 0.11 24 D C T 126.91 1.29 15.17 16.79 108.75 -78.27 -59.91 135.58 99.24 0.11 0.64 0.40 4.65 94.26 0.02 0.57 0.00 0.06 0.04 25 G C T 55.64 2.27 16.59 19.24 95.43 21.31 83.69 -2.94 99.32 0.09 0.58 1.04 4.03 94.20 0.03 0.61 0.00 0.06 0.02 26 Q C C 46.38 15.35 11.45 27.02 118.97 116.46 -89.76 139.35 94.97 4.74 0.30 88.41 5.77 0.83 0.05 0.30 0.00 3.27 1.37 27 N C C 81.53 8.24 21.23 30.17 101.56 -174.87 -104.26 -11.95 92.79 7.15 0.06 52.47 39.81 0.64 0.00 0.06 0.00 6.59 0.41 28 L E E 46.00 11.35 23.06 35.29 131.95 40.85 -132.41 142.45 18.91 81.06 0.02 15.73 2.32 0.12 0.00 0.02 0.00 81.37 0.44 29 C E E 4.99 23.76 18.42 42.46 129.07 -168.97 -125.22 145.48 1.86 98.14 0.00 1.76 0.06 0.00 0.00 0.00 0.00 98.09 0.08 30 F E E 26.39 15.30 23.82 39.55 125.99 -156.13 -118.06 144.70 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 31 K E E 42.74 17.15 19.88 36.80 125.04 -156.69 -119.51 137.04 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 32 R E E 65.71 12.11 20.09 32.93 122.92 -163.36 -115.81 135.80 0.70 99.30 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.01 33 R E E 77.97 13.24 16.27 30.07 124.24 -162.99 -116.73 137.08 1.49 98.51 0.01 1.30 0.07 0.01 0.00 0.00 0.00 98.56 0.06 34 H E E 80.38 7.50 16.64 25.67 122.23 -168.69 -120.26 135.22 3.51 96.47 0.02 2.80 0.38 0.05 0.00 0.01 0.00 96.71 0.06 35 Y E E 118.56 7.12 11.95 20.82 111.94 -136.66 -90.42 121.43 11.35 88.59 0.06 9.20 1.42 0.23 0.01 0.04 0.00 88.87 0.23 36 V E E 84.10 4.64 11.69 18.12 101.89 175.02 -93.10 -31.88 29.31 70.50 0.19 19.41 8.22 1.44 0.02 0.17 0.00 70.35 0.37 37 V E E 89.28 2.07 11.57 14.50 129.81 -1.70 -139.44 153.13 46.88 51.92 1.19 12.19 18.67 18.32 0.10 1.13 0.00 48.51 1.09 38 P C T 119.26 1.05 10.60 11.92 105.02 -67.40 -62.70 124.68 97.99 0.82 1.19 7.40 17.85 72.49 0.07 1.38 0.00 0.65 0.15 39 K C T 161.48 1.68 11.04 13.64 99.10 7.84 27.60 11.58 95.26 3.52 1.22 9.46 20.27 65.39 0.07 1.36 0.00 3.12 0.32 40 I E E 79.24 6.14 10.39 18.59 122.11 100.34 -113.71 135.67 25.67 74.20 0.12 21.04 3.58 0.69 0.02 0.11 0.00 73.85 0.72 41 Y E E 102.55 9.24 11.88 22.60 125.57 -171.54 -123.99 141.77 10.26 89.71 0.03 8.97 0.66 0.09 0.00 0.02 0.00 90.06 0.19 42 D E E 65.61 8.40 16.84 26.50 123.94 -158.34 -116.04 138.99 4.96 95.01 0.02 4.08 0.42 0.08 0.00 0.01 0.00 95.35 0.06 43 S E E 34.19 15.12 15.82 31.17 125.11 -165.08 -118.29 139.63 2.05 97.94 0.01 1.67 0.18 0.03 0.00 0.01 0.00 98.10 0.02 44 T E E 44.25 11.97 20.74 33.33 126.03 -167.15 -121.86 137.41 0.79 99.20 0.01 0.68 0.07 0.01 0.00 0.00 0.00 99.23 0.01 45 R E E 64.83 17.28 19.91 36.36 129.07 -171.85 -125.06 145.24 1.29 98.71 0.01 1.05 0.16 0.02 0.00 0.00 0.00 98.74 0.02 46 G E E 9.35 13.75 24.89 39.66 143.59 146.75 -164.67 175.64 2.39 97.60 0.01 1.93 0.30 0.02 0.00 0.00 0.00 97.69 0.06 47 C E E 16.39 20.11 21.04 40.78 122.35 -90.67 -105.85 143.98 8.77 91.20 0.02 7.68 0.89 0.06 0.01 0.02 0.00 90.23 1.11 48 A C C 11.03 17.95 18.45 36.70 129.30 -156.31 -116.88 163.33 57.23 40.65 2.12 36.59 17.50 5.56 0.49 1.73 0.02 33.40 4.72 49 A C T 68.37 6.54 20.98 28.09 94.35 -109.39 -69.93 -27.79 94.77 3.94 1.29 2.63 31.09 61.74 0.08 0.98 0.00 3.05 0.43 50 T C T 88.62 3.30 22.29 25.57 114.55 28.19 -120.59 82.63 95.46 2.94 1.60 10.00 23.48 62.14 0.15 1.46 0.00 2.14 0.62 51 C C C 24.39 21.66 10.99 31.32 117.49 -156.86 -80.93 140.29 96.21 3.69 0.10 64.00 32.31 0.40 0.03 0.07 0.00 1.44 1.76 52 P C C 51.55 9.48 17.66 28.18 115.34 -109.95 -69.52 152.59 98.18 1.77 0.05 88.48 9.49 0.31 0.01 0.04 0.00 0.83 0.84 53 I C C 117.25 4.42 17.49 23.39 114.88 -108.96 -86.72 132.91 96.37 3.53 0.10 84.42 11.70 0.41 0.04 0.07 0.00 1.81 1.55 54 P C C 60.95 13.12 9.82 22.94 114.80 -113.68 -70.79 146.60 92.66 6.69 0.64 86.21 4.71 1.60 0.16 0.48 0.00 3.67 3.16 55 E C C 123.13 3.74 12.95 18.23 116.99 -136.34 -96.20 142.40 88.20 10.18 1.63 71.06 10.69 5.72 0.40 1.38 0.00 5.32 5.43 56 N C T 123.50 2.15 12.04 15.35 102.90 -96.40 -74.21 -6.15 94.13 3.57 2.31 33.21 27.11 33.94 0.33 2.18 0.00 2.14 1.09 57 Y C T 156.78 4.41 11.79 17.49 99.87 9.28 -82.05 11.25 94.70 2.79 2.51 24.03 34.08 36.73 0.31 2.34 0.00 1.84 0.68 58 D C S 78.13 7.52 12.67 21.34 115.86 87.59 -100.46 140.57 82.75 15.52 1.74 23.25 48.34 11.30 0.24 1.51 0.00 13.73 1.63 59 S E E 56.86 7.13 17.26 25.29 113.95 -116.65 -97.98 128.95 46.01 53.06 0.94 37.18 6.03 2.57 0.19 0.81 0.00 51.38 1.84 60 I E E 31.04 19.50 13.65 32.92 121.71 -161.90 -111.67 133.42 16.83 83.11 0.07 15.71 0.92 0.11 0.03 0.04 0.00 81.96 1.24 61 H E E 84.65 9.29 24.38 34.01 125.10 -166.68 -118.57 136.26 9.77 90.17 0.05 9.14 0.55 0.08 0.02 0.02 0.00 89.06 1.13 62 C E E 20.12 19.76 17.41 36.90 125.58 -154.17 -110.48 144.97 26.72 73.18 0.09 23.98 1.95 0.19 0.04 0.07 0.00 71.19 2.59 63 C C C 16.30 15.59 15.84 32.44 121.56 -120.27 -88.77 153.63 58.45 41.43 0.12 58.08 1.36 0.15 0.06 0.06 0.00 32.47 7.82 64 K C S 136.19 4.95 19.29 25.30 94.11 -136.38 -80.01 -13.02 98.75 1.11 0.14 21.30 76.66 1.09 0.04 0.06 0.00 0.51 0.32 65 T C S 72.61 4.02 18.50 23.20 128.43 57.75 -115.98 157.61 98.04 1.35 0.60 4.65 90.84 2.42 0.15 0.16 0.00 0.28 1.50 66 D C T 81.84 8.01 15.86 24.80 108.58 -80.95 -64.80 131.12 87.12 0.61 12.27 3.26 23.73 60.69 2.79 8.56 0.01 0.25 0.70 67 K C T 109.38 7.32 18.28 26.61 93.07 3.38 64.94 23.17 83.28 0.58 16.14 4.63 11.88 65.96 4.19 12.41 0.03 0.24 0.66 68 C C T 20.83 16.74 14.03 31.51 93.63 132.26 -68.90 -25.71 80.52 0.68 18.80 4.99 6.40 68.83 4.04 14.79 0.01 0.30 0.65 69 N C T 33.56 17.68 13.64 31.10 97.60 52.24 -94.40 5.53 80.42 0.91 18.67 15.43 5.48 60.14 5.61 12.34 0.00 0.39 0.62 70 E C C 114.60 5.70 20.08 26.77 106.19 101.41 -78.25 100.43 99.04 0.26 0.70 97.69 0.89 0.71 0.28 0.16 0.00 0.10 0.17