# 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 82.62 5.74 11.83 19.20 117.21 -158.85 -100.30 141.79 99.86 0.13 0.02 99.71 0.15 0.05 0.01 0.00 0.00 0.06 0.02 1 K C C 151.44 2.61 11.19 15.27 110.68 -126.47 -89.00 125.22 91.48 2.61 5.91 76.73 4.05 11.00 3.18 2.13 0.00 1.39 1.53 2 G C C 45.89 5.16 10.04 16.67 113.40 -25.40 78.87 -162.44 86.00 3.59 10.41 42.73 24.85 19.42 4.81 4.72 0.01 1.71 1.75 3 T C C 93.12 4.12 11.08 16.58 107.11 -55.70 -85.88 65.24 77.79 6.38 15.83 52.21 16.11 9.16 9.40 6.58 0.02 3.18 3.34 4 S C C 72.21 4.38 11.52 17.41 106.37 71.78 -82.57 42.38 63.66 5.70 30.64 41.62 11.46 10.51 17.25 13.65 0.04 3.45 2.02 5 S C C 69.65 4.97 12.08 18.48 103.09 58.05 -86.18 -2.29 57.89 5.27 36.85 32.32 11.56 14.72 20.49 15.80 0.08 3.18 1.85 6 F C C 103.74 8.14 11.13 20.44 102.11 81.27 -89.76 -2.00 53.31 5.51 41.18 24.87 12.97 17.06 23.40 16.11 0.25 2.96 2.38 7 G C C 36.41 6.28 12.48 20.24 114.88 78.72 83.15 -161.74 59.08 4.28 36.64 28.84 14.16 17.48 20.74 14.49 0.12 2.20 1.96 8 K C C 142.18 2.76 13.09 16.91 106.23 -18.57 -84.70 60.09 58.10 5.57 36.34 27.06 14.43 18.17 18.16 16.62 0.19 2.97 2.40 9 R C C 131.22 5.45 10.34 17.40 106.81 74.58 -88.67 92.37 61.45 6.24 32.31 31.22 13.17 18.34 14.14 16.91 0.11 3.33 2.78 10 R C T 154.38 4.28 10.90 16.87 101.35 53.13 -74.91 -13.55 75.13 3.44 21.43 25.03 14.85 36.11 9.04 11.43 0.05 1.76 1.74 11 N C T 119.23 2.41 12.87 16.26 101.32 51.40 -91.70 16.08 86.59 1.86 11.55 23.03 23.62 40.73 3.57 7.17 0.01 0.99 0.88 12 K C C 112.04 6.51 11.82 19.82 118.04 101.99 -97.08 135.69 88.71 7.20 4.09 44.57 34.60 10.03 1.17 2.82 0.00 4.02 2.78 13 T C C 77.25 6.68 14.57 22.42 112.36 -130.80 -96.42 124.11 80.60 17.93 1.47 61.74 14.59 3.69 0.43 1.17 0.00 15.41 2.96 14 H C E 71.82 12.65 14.09 27.22 122.16 -158.04 -106.92 143.57 50.45 48.58 0.97 42.17 6.56 1.29 0.32 0.72 0.00 45.38 3.56 15 T E E 47.33 10.28 18.89 30.15 123.93 -160.40 -111.06 142.37 28.02 71.39 0.59 23.77 2.88 0.56 0.25 0.37 0.00 67.04 5.13 16 L E E 65.75 11.05 19.31 30.79 116.49 -123.92 -81.60 137.06 23.30 76.06 0.64 16.81 4.18 0.48 0.47 0.28 0.00 60.30 17.48 17 C C C 15.65 18.63 12.15 31.14 110.29 -115.05 -76.26 132.25 74.40 24.93 0.67 69.44 3.88 0.87 0.23 0.41 0.00 20.32 4.86 18 R C T 143.88 5.09 17.96 24.22 94.21 -147.71 -70.68 -28.21 93.26 0.51 6.24 1.19 8.78 83.65 0.38 5.46 0.00 0.33 0.22 19 R C T 136.49 5.19 17.14 23.13 98.68 43.21 -81.57 -37.19 93.62 0.19 6.19 0.23 4.65 90.18 0.36 4.39 0.00 0.09 0.10 20 C C T 54.38 8.91 14.53 24.60 103.57 22.59 -109.24 -11.17 94.34 0.38 5.29 0.63 5.82 88.69 0.43 4.03 0.00 0.20 0.20 21 G C C 36.15 5.73 16.62 23.61 105.41 -111.87 85.58 -1.64 96.17 2.84 0.99 62.82 17.30 15.99 0.24 0.85 0.00 1.56 1.24 22 S C C 54.21 9.02 16.88 26.34 105.95 78.86 -87.37 -0.64 94.59 5.22 0.19 52.08 39.45 3.05 0.02 0.26 0.00 4.38 0.76 23 K C C 100.22 8.30 20.95 29.56 123.21 60.33 -107.36 139.16 54.46 45.45 0.09 43.70 10.18 0.41 0.01 0.11 0.00 41.64 3.95 24 A E E 16.72 18.90 16.49 35.28 129.85 -168.95 -122.83 148.62 24.86 75.14 0.01 23.75 0.64 0.01 0.00 0.00 0.00 75.30 0.29 25 Y E E 48.52 12.27 20.67 34.21 129.95 -169.17 -130.26 146.37 1.27 98.73 0.00 1.18 0.08 0.00 0.00 0.00 0.00 97.83 0.90 26 H E E 40.89 12.43 17.99 31.94 109.42 -117.15 -79.89 123.44 7.27 92.72 0.01 7.17 0.21 0.01 0.00 0.01 0.00 90.99 1.62 27 L C T 61.88 13.18 15.62 29.60 93.81 -151.87 -67.34 -29.71 97.73 0.30 1.97 0.85 3.78 92.45 0.04 2.59 0.00 0.24 0.05 28 Q C T 116.93 3.86 18.01 22.27 97.04 47.60 -78.49 -32.35 97.15 0.26 2.58 0.72 5.05 90.71 0.11 3.17 0.00 0.18 0.06 29 K C T 104.76 5.29 18.44 23.91 115.45 20.58 -122.98 101.60 97.20 0.34 2.46 3.31 8.52 84.49 0.11 3.26 0.00 0.22 0.09 30 S C T 51.45 12.29 15.73 28.49 96.80 -138.74 -15.27 20.87 98.80 1.00 0.19 14.15 9.13 75.45 0.01 0.21 0.00 0.98 0.07 31 T E E 49.27 7.50 21.72 30.36 132.85 106.80 -126.57 155.54 8.49 91.48 0.03 6.65 1.66 0.19 0.02 0.02 0.00 75.37 16.09 32 C E E 15.15 18.82 14.29 33.48 117.24 -119.14 -91.24 141.46 14.03 85.95 0.02 13.49 0.44 0.02 0.02 0.01 0.00 73.19 12.82 33 G C T 25.63 11.64 17.58 29.83 101.24 -134.25 -67.84 -58.52 98.48 1.01 0.52 3.47 5.46 89.46 0.01 0.66 0.00 0.78 0.16 34 K C T 136.23 4.32 20.01 25.07 93.78 29.21 -72.25 -30.01 99.50 0.12 0.38 0.12 2.23 97.22 0.00 0.34 0.00 0.07 0.02 35 C C T 55.11 8.98 16.89 27.01 98.38 32.81 -101.46 -3.92 99.58 0.09 0.33 0.16 2.37 97.11 0.00 0.28 0.00 0.05 0.02 36 G C C 29.80 8.41 17.44 27.11 97.16 -106.99 86.32 8.12 93.99 5.63 0.38 65.67 19.16 9.43 0.14 0.25 0.00 2.58 2.76 37 Y C C 64.28 12.04 13.92 27.34 116.13 145.49 -79.63 137.74 87.52 12.09 0.39 78.20 8.54 0.44 0.23 0.19 0.00 7.51 4.88 38 P E B 65.13 7.40 17.78 26.07 108.38 -107.26 -67.94 145.26 37.69 56.08 6.23 24.16 7.77 2.90 2.96 3.24 0.14 17.97 40.87 39 A C C 42.88 12.41 10.84 23.50 115.50 -124.55 -77.75 145.46 79.41 4.31 16.28 57.22 12.25 8.37 2.72 15.26 0.00 2.95 1.23 40 K C C 159.23 1.94 14.76 17.16 98.67 -132.47 -80.38 -7.90 75.15 3.79 21.06 39.14 21.42 14.42 3.78 17.57 0.00 2.19 1.49 41 R C C 143.61 3.36 11.44 16.57 120.80 67.12 -112.96 140.96 67.56 10.96 21.48 38.48 16.39 12.91 4.58 16.92 0.03 7.24 3.45 42 K C C 147.15 3.21 10.89 16.16 113.39 -121.73 -87.67 131.73 76.38 16.44 7.19 61.05 9.36 4.57 2.75 4.81 0.00 11.60 5.85 43 R C C 120.44 7.63 8.64 17.67 118.65 -151.02 -98.33 138.22 81.16 15.71 3.12 70.33 6.83 2.80 1.62 1.56 0.00 11.79 5.07 44 K C C 158.53 1.70 12.60 15.02 108.36 -145.55 -91.74 113.48 85.53 11.14 3.33 63.95 15.98 5.19 1.79 1.70 0.00 7.87 3.52 45 Y C C 138.38 5.19 10.11 16.97 112.01 -112.56 -100.69 116.70 87.40 5.47 7.13 50.45 25.15 11.94 4.28 2.86 0.01 3.20 2.11 46 N C C 95.75 4.98 10.67 17.27 108.50 -157.14 -99.41 88.08 82.85 3.27 13.89 50.88 16.65 15.23 9.12 4.74 0.01 1.63 1.75 47 W C C 154.12 4.99 11.18 17.65 99.63 145.35 -83.74 -9.29 70.25 2.00 27.76 32.90 15.73 21.92 21.55 5.98 0.03 0.93 0.97 48 S C H 48.64 5.64 11.39 18.85 106.69 85.20 -83.13 78.48 55.70 1.59 42.71 32.97 12.19 11.16 36.95 5.18 0.02 0.68 0.86 49 A H H 66.40 2.89 13.08 17.04 94.08 -119.99 -64.58 -37.65 12.63 0.34 87.03 5.15 3.11 5.52 80.48 5.39 0.04 0.20 0.11 50 K H H 121.31 2.47 14.12 17.19 92.71 53.24 -66.27 -38.88 9.59 0.52 89.90 3.76 1.67 4.98 82.59 6.44 0.05 0.41 0.11 51 A H H 33.15 7.78 10.88 20.77 92.54 52.46 -65.84 -39.00 8.79 0.55 90.66 3.65 1.52 4.33 82.80 7.10 0.04 0.46 0.11 52 K H H 121.53 3.62 14.03 18.75 93.19 52.87 -66.93 -37.30 13.13 0.67 86.20 4.81 2.29 7.00 79.55 5.63 0.07 0.47 0.19 53 R H H 153.84 1.81 14.60 16.45 94.93 52.11 -71.36 -30.93 24.83 0.98 74.18 7.54 4.21 14.37 68.70 4.12 0.12 0.55 0.39 54 R H H 126.72 5.38 12.57 19.26 99.93 61.68 -79.00 -13.23 42.65 1.63 55.72 19.32 9.01 15.58 51.33 3.15 0.07 0.70 0.84 55 N C C 92.73 6.08 12.83 20.08 102.13 72.85 -78.86 49.28 60.83 2.01 37.16 36.46 8.56 15.33 34.32 3.41 0.02 0.92 0.99 56 T C H 78.86 5.85 12.82 19.88 101.69 118.51 -87.30 -9.49 64.03 2.24 33.73 28.34 15.43 20.95 28.89 4.21 0.08 1.02 1.08 57 T C T 83.36 4.36 14.02 19.32 101.39 64.83 -86.85 -8.54 70.17 1.92 27.91 24.26 21.01 25.31 23.64 3.88 0.07 0.79 1.04 58 G C C 39.45 6.03 13.21 20.56 107.43 -116.03 73.56 -6.35 81.86 1.45 16.68 33.78 27.45 21.05 11.77 4.46 0.01 0.60 0.88 59 T C C 78.68 5.15 13.20 19.51 99.82 73.25 -85.59 -11.92 64.13 1.82 34.05 28.75 18.09 18.25 25.58 7.47 0.05 0.78 1.04 60 G C H 39.73 4.79 14.15 20.14 98.61 50.80 -41.86 -42.37 51.44 1.88 46.68 19.35 14.37 19.12 33.21 12.00 0.13 0.91 0.91 61 R H H 137.80 4.34 13.83 19.23 95.63 52.44 -71.39 -28.53 42.15 2.72 55.13 20.98 8.75 13.49 40.71 13.39 0.11 1.53 1.05 62 M H H 87.99 7.61 12.14 20.99 96.85 57.01 -78.46 -13.37 37.41 2.49 60.10 22.94 6.17 9.07 47.13 12.34 0.03 1.42 0.90 63 R H H 141.88 3.46 14.60 19.26 94.41 93.58 -66.38 -34.49 35.78 1.66 62.56 15.07 6.23 15.11 54.60 7.39 0.06 0.93 0.60 64 H H H 105.25 4.68 14.49 20.17 95.39 52.27 -78.34 -16.36 30.46 1.09 68.45 13.13 4.30 13.57 61.05 6.91 0.04 0.63 0.37 65 L H H 72.93 7.57 13.22 22.06 94.46 69.92 -66.69 -38.72 12.19 0.57 87.23 7.60 1.94 3.41 82.65 3.89 0.01 0.37 0.13 66 K H H 113.42 3.48 15.73 19.98 93.20 55.80 -65.72 -38.82 9.75 0.73 89.52 5.55 1.45 3.45 86.00 2.87 0.02 0.55 0.12 67 I H H 85.16 3.50 15.55 19.78 93.22 50.91 -66.76 -40.94 7.82 1.14 91.04 4.29 1.37 3.01 87.54 2.63 0.03 0.98 0.15 68 V H H 61.96 5.43 14.05 21.08 92.31 50.78 -64.81 -42.12 7.80 1.17 91.04 4.27 1.29 2.94 87.97 2.36 0.03 0.98 0.16 69 Y H H 107.14 4.64 14.10 20.00 92.76 50.32 -64.96 -40.51 8.08 1.14 90.78 4.26 1.18 3.31 86.66 3.36 0.03 1.03 0.16 70 R H H 124.27 2.67 14.15 17.47 92.56 51.93 -65.74 -39.72 7.24 0.72 92.03 2.76 1.11 3.85 86.29 5.15 0.05 0.64 0.13 71 R H H 126.89 3.27 13.10 17.44 92.97 51.76 -67.43 -38.70 9.04 0.48 90.47 2.81 1.21 5.31 84.77 5.34 0.06 0.38 0.11 72 F H H 114.46 4.46 11.57 17.32 96.98 47.66 -79.41 -31.41 15.17 0.56 84.27 4.60 2.02 8.73 78.06 5.94 0.07 0.39 0.19 73 R H H 154.97 2.44 12.18 15.55 95.70 57.83 -74.44 -27.94 28.65 0.85 70.50 6.43 3.95 18.52 65.00 5.11 0.14 0.47 0.39 74 H C T 133.85 2.15 12.21 14.91 100.84 41.33 -94.17 3.47 58.76 0.78 40.46 7.56 7.82 42.00 37.32 4.41 0.07 0.34 0.48 75 G C T 45.32 3.93 12.14 17.53 104.45 -109.71 81.63 12.32 82.86 1.65 15.49 26.09 13.73 43.55 10.61 4.45 0.01 0.83 0.73 76 F C C 119.16 6.04 9.68 17.36 112.95 -40.68 -88.02 129.60 78.52 10.26 11.22 52.49 12.75 12.74 6.50 4.86 0.03 5.54 5.09 77 R C C 143.42 3.52 10.45 15.96 118.56 -174.97 -108.66 134.27 82.93 10.76 6.31 66.40 8.05 7.55 3.51 2.87 0.00 6.46 5.16 78 E C C 141.77 2.79 9.53 14.37 112.25 -133.07 -81.97 132.25 88.08 6.87 5.05 43.34 16.90 28.72 1.74 2.88 0.01 3.96 2.45 79 G C T 59.70 1.47 10.88 12.89 105.90 14.31 86.53 -6.56 94.96 2.75 2.29 24.98 35.00 35.19 0.39 1.91 0.00 1.78 0.75 80 T C C 98.89 2.43 8.84 12.86 113.27 87.53 -95.41 122.95 94.09 4.31 1.60 50.45 35.91 7.78 0.30 1.43 0.00 2.25 1.87 81 T C C 98.42 2.59 8.43 13.05 116.08 -130.91 -94.69 132.22 95.99 3.83 0.18 66.30 29.60 0.56 0.06 0.11 0.00 1.88 1.48 82 P C C 89.95 4.39 7.84 14.28 113.25 -108.51 -65.98 147.26 97.80 1.91 0.28 96.64 0.90 0.60 0.09 0.09 0.00 0.97 0.70 83 K C C 161.27 1.75 11.02 14.04 108.45 -116.45 -79.47 123.18 99.87 0.11 0.02 99.76 0.11 0.05 0.00 0.00 0.00 0.05 0.02