# 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 112.85 6.15 11.77 19.47 114.61 -159.20 -93.58 131.96 99.80 0.19 0.01 99.75 0.10 0.03 0.01 0.00 0.00 0.10 0.02 1 T C C 86.40 5.07 9.90 16.79 115.90 -152.62 -96.44 139.17 89.43 9.44 1.14 87.78 1.17 1.25 0.56 0.39 0.00 4.27 4.57 2 K C C 148.53 2.78 10.80 15.28 110.21 -139.48 -88.60 123.66 86.55 9.34 4.10 53.53 19.97 13.29 1.50 2.57 0.01 5.52 3.63 3 G C C 42.82 6.02 10.72 18.11 115.72 -46.53 107.12 175.94 87.16 6.22 6.62 38.36 32.01 17.69 2.42 3.73 0.01 3.41 2.38 4 T C C 83.24 5.59 11.70 18.50 109.06 -72.40 -88.00 113.37 81.75 5.89 12.35 56.83 16.90 7.64 6.15 6.23 0.01 2.78 3.46 5 S C G 77.69 4.04 11.87 17.41 100.67 -114.98 -74.56 -19.53 51.88 3.31 44.81 27.00 10.62 15.47 12.62 31.17 0.04 1.86 1.22 6 S H G 75.19 4.02 12.76 18.07 99.68 60.36 -82.82 -8.78 46.73 3.39 49.88 17.19 10.07 20.78 15.89 32.73 0.16 2.00 1.18 7 F H G 103.67 8.13 10.89 20.20 103.95 65.95 -93.56 3.98 46.62 4.65 48.74 18.80 11.28 18.66 15.97 30.63 0.27 2.55 1.85 8 G C C 33.92 7.01 12.03 20.43 120.68 115.40 92.00 -171.62 67.63 6.13 26.23 35.30 17.46 15.76 12.41 12.90 0.12 2.98 3.06 9 K C C 147.20 2.81 12.66 16.64 104.62 -51.35 -81.91 33.53 66.11 7.82 26.07 31.16 17.47 18.80 10.67 14.22 0.20 4.12 3.37 10 R C C 136.16 4.56 10.25 16.46 114.28 76.71 -93.10 131.41 67.81 7.55 24.64 34.61 15.46 18.71 8.55 15.19 0.10 3.92 3.46 11 R C T 163.83 3.33 10.96 16.00 100.27 -83.51 -70.90 -10.50 79.38 3.62 17.00 24.62 16.88 38.53 5.17 11.01 0.03 1.88 1.88 12 N C T 118.00 2.71 12.72 16.49 100.03 33.28 -89.82 19.71 88.12 2.15 9.72 20.73 24.48 43.25 2.09 7.27 0.01 1.23 0.95 13 K C C 102.35 7.53 11.96 20.89 117.08 109.65 -97.62 137.44 85.41 9.90 4.69 44.74 29.30 11.62 1.14 3.58 0.01 5.21 4.42 14 T C C 72.63 7.61 14.78 23.50 108.50 -142.84 -96.20 80.35 82.17 16.63 1.21 63.67 13.98 3.94 0.27 1.12 0.00 13.21 3.81 15 H C C 69.61 12.44 14.96 27.93 124.25 89.47 -111.80 142.32 66.62 32.91 0.48 57.21 7.79 1.09 0.09 0.44 0.00 31.42 1.96 16 T E E 40.65 11.48 18.39 30.95 123.49 -155.37 -113.44 139.66 32.85 66.96 0.19 28.86 3.65 0.29 0.04 0.15 0.00 65.24 1.77 17 L E E 69.14 9.72 19.61 30.09 117.46 -126.24 -91.38 136.41 7.85 92.11 0.04 7.20 0.37 0.01 0.04 0.01 0.00 60.72 31.64 18 C C C 11.75 19.12 11.52 31.33 109.88 -116.26 -72.40 127.49 83.08 16.90 0.02 84.79 0.42 0.03 0.00 0.01 0.00 13.01 1.73 19 R C T 145.44 4.56 18.24 24.06 92.93 -152.27 -69.39 -26.88 99.69 0.10 0.21 0.32 3.87 95.51 0.00 0.19 0.00 0.07 0.02 20 R C T 128.64 5.84 16.63 23.49 99.74 45.61 -83.89 -39.34 99.76 0.03 0.20 0.04 1.76 98.05 0.00 0.13 0.00 0.01 0.01 21 C C T 58.95 7.25 14.62 23.33 103.34 19.12 -110.19 -12.57 99.75 0.06 0.19 0.23 2.92 96.66 0.00 0.14 0.00 0.03 0.01 22 G C C 42.30 4.89 16.59 22.59 96.43 -115.44 84.39 3.74 98.94 0.99 0.08 86.33 8.50 4.08 0.02 0.06 0.00 0.47 0.54 23 S C C 37.16 9.96 14.31 25.91 119.94 137.76 -74.06 151.40 96.43 3.55 0.02 90.34 6.37 0.13 0.00 0.01 0.00 2.57 0.56 24 K E E 108.22 8.16 20.54 29.26 119.08 -127.21 -100.41 135.55 22.12 77.85 0.02 20.20 2.63 0.04 0.01 0.02 0.00 69.32 7.78 25 A E E 16.94 17.68 17.14 34.87 131.55 -165.62 -128.73 152.34 20.89 79.10 0.01 19.46 0.79 0.01 0.00 0.01 0.00 79.46 0.27 26 Y E E 51.63 12.62 19.96 33.80 130.83 -163.07 -131.44 146.29 4.79 95.20 0.02 4.38 0.39 0.02 0.00 0.01 0.00 92.72 2.47 27 H E E 46.28 11.91 17.92 31.20 110.10 -119.02 -81.50 123.62 17.31 82.64 0.05 16.65 0.78 0.05 0.02 0.03 0.00 78.92 3.55 28 L C T 68.30 12.28 15.34 28.43 93.59 -148.30 -66.72 -30.21 94.24 1.16 4.61 3.52 9.48 80.05 0.17 5.63 0.00 0.95 0.20 29 Q C T 120.03 3.39 17.69 21.32 96.80 47.97 -84.64 -28.88 92.78 1.51 5.71 3.35 10.87 77.40 0.39 6.52 0.00 1.05 0.43 30 K C T 103.24 5.96 17.49 23.84 115.57 19.96 -118.00 94.52 93.36 1.05 5.58 7.62 12.63 71.70 0.45 6.59 0.00 0.73 0.29 31 S C T 51.34 11.79 15.88 28.21 97.20 -138.47 -33.14 21.73 97.08 2.11 0.81 15.99 13.13 67.82 0.11 0.78 0.00 1.96 0.20 32 T E E 49.13 7.54 21.55 30.23 132.31 103.37 -127.67 155.33 13.13 86.75 0.12 9.56 2.92 0.44 0.06 0.08 0.00 65.24 21.69 33 C E E 14.97 18.53 14.13 33.19 116.22 -119.48 -82.90 143.22 22.82 77.13 0.05 21.74 0.78 0.06 0.03 0.02 0.00 62.42 14.95 34 G C T 27.34 11.10 17.65 29.55 96.00 -136.75 -67.12 -37.82 98.67 0.81 0.52 3.07 6.11 89.43 0.01 0.60 0.00 0.63 0.14 35 K C T 134.45 4.28 20.08 24.99 94.23 42.30 -73.07 -31.49 99.45 0.15 0.40 0.20 2.67 96.69 0.01 0.33 0.00 0.08 0.03 36 C C T 55.84 8.76 17.06 26.94 99.66 30.67 -103.19 -4.73 99.53 0.13 0.34 0.27 3.00 96.35 0.01 0.27 0.00 0.07 0.02 37 G C C 29.39 8.47 17.43 27.14 97.43 -108.16 87.09 7.87 94.65 4.98 0.37 64.33 19.56 11.11 0.13 0.25 0.00 2.29 2.32 38 Y C C 66.05 11.68 14.29 27.36 116.54 141.91 -81.34 140.12 87.99 11.54 0.47 76.01 11.21 0.59 0.28 0.23 0.00 6.70 4.99 39 P E B 59.82 8.22 17.35 26.62 109.42 -107.46 -67.50 141.62 36.99 55.53 7.48 23.92 7.61 3.25 3.43 4.01 0.17 16.90 40.71 40 A C C 43.57 12.22 11.47 24.00 112.89 -121.11 -75.18 147.10 71.44 3.81 24.74 48.15 11.42 10.07 3.34 23.45 0.00 2.52 1.05 41 K C C 157.48 2.06 15.24 17.67 99.25 -123.01 -80.99 -8.70 66.82 3.79 29.39 33.99 16.88 16.08 4.63 24.82 0.01 2.22 1.37 42 R C C 139.89 4.13 11.54 17.46 117.53 81.21 -110.27 132.91 60.85 10.32 28.84 33.82 14.63 13.52 5.65 22.35 0.03 6.86 3.14 43 K C C 134.62 4.59 10.84 17.44 113.24 -127.82 -92.40 128.77 75.21 16.87 7.92 58.27 10.79 4.81 3.48 4.79 0.01 11.13 6.72 44 R C C 130.03 6.79 9.54 17.93 117.43 -147.04 -95.77 135.53 79.63 16.79 3.59 68.59 7.03 2.87 2.07 1.63 0.00 12.32 5.49 45 K C C 148.76 2.39 12.35 15.92 112.62 -139.61 -96.68 131.25 82.95 12.72 4.33 62.65 14.33 5.48 2.49 2.05 0.00 8.97 4.02 46 Y C C 146.38 4.73 10.14 16.55 108.69 -116.17 -95.76 108.64 85.29 5.69 9.03 48.46 22.83 14.12 5.33 3.70 0.01 3.44 2.10 47 N C C 93.76 4.90 10.05 16.62 111.05 85.84 -98.28 100.20 81.07 3.20 15.72 47.36 16.16 17.59 9.11 6.43 0.01 1.59 1.75 48 W C C 170.35 3.64 11.04 16.10 98.96 122.23 -82.49 -13.68 72.68 1.83 25.50 28.41 18.26 26.63 17.71 7.19 0.04 0.83 0.93 49 S C C 51.38 5.21 10.97 18.01 111.49 81.39 -87.84 138.33 64.05 1.90 34.06 35.20 15.96 13.55 27.05 6.32 0.03 0.78 1.10 50 A H H 67.65 3.18 12.69 17.17 94.56 -133.06 -63.49 -37.19 15.02 0.43 84.55 6.77 4.16 5.95 77.59 5.11 0.05 0.23 0.15 51 K H H 122.52 2.55 14.14 17.40 92.72 54.43 -65.82 -38.77 11.23 0.81 87.95 4.95 2.09 5.64 80.07 6.37 0.07 0.61 0.19 52 A H H 33.26 7.03 11.69 21.03 92.41 52.12 -65.42 -40.15 9.52 1.19 89.30 4.46 1.82 4.51 80.50 7.37 0.07 1.05 0.21 53 K H H 110.01 4.39 14.47 20.00 92.55 53.11 -66.00 -38.78 12.02 1.34 86.64 5.53 2.37 5.71 79.21 5.71 0.11 1.03 0.32 54 R H H 136.31 2.78 14.94 18.35 93.63 51.44 -68.02 -35.50 21.19 1.68 77.13 8.84 3.53 10.52 70.85 4.42 0.16 1.02 0.65 55 R H H 126.16 5.18 14.14 20.55 95.08 57.52 -71.62 -31.70 32.99 1.70 65.31 14.45 5.47 14.48 60.60 3.30 0.09 0.87 0.76 56 N C H 89.39 6.33 13.47 20.84 100.85 55.64 -88.55 -0.99 50.69 1.77 47.54 24.36 8.29 18.40 44.43 2.85 0.03 0.80 0.83 57 T C H 76.05 5.73 12.98 19.94 101.84 66.49 -86.30 -13.95 61.90 2.15 35.95 24.85 15.91 21.48 32.52 3.20 0.08 0.95 1.01 58 T C C 83.80 4.22 13.97 19.08 102.07 52.51 -88.69 -5.92 70.64 2.12 27.25 25.54 20.82 24.44 24.02 3.16 0.06 0.90 1.07 59 G C C 39.69 5.86 12.95 20.11 105.55 -113.36 73.06 -15.46 82.65 1.58 15.78 36.52 25.69 20.69 10.90 4.63 0.01 0.69 0.87 60 T C C 79.09 4.88 13.01 19.10 99.61 73.91 -82.77 -17.93 65.66 1.89 32.44 30.17 17.18 19.09 23.47 8.17 0.04 0.86 1.03 61 G C H 39.59 4.65 14.29 20.02 99.88 52.59 -57.60 -42.59 53.63 2.13 44.24 20.83 14.85 19.13 29.99 13.04 0.10 1.05 1.00 62 R H H 130.73 5.05 13.85 19.83 95.09 52.01 -70.78 -28.31 44.01 2.98 53.01 21.20 9.25 14.26 36.92 15.44 0.11 1.70 1.13 63 M H H 87.50 7.54 12.47 21.28 96.93 56.09 -77.60 -14.94 40.24 3.17 56.59 23.17 6.79 10.73 40.60 15.68 0.05 1.95 1.04 64 R H H 140.99 3.48 14.95 19.58 93.73 81.88 -65.53 -32.66 39.26 2.60 58.13 16.90 7.53 15.32 45.45 12.20 0.09 1.66 0.85 65 H H H 100.54 5.46 14.50 20.98 96.65 53.58 -81.20 -9.55 35.79 2.12 62.09 15.96 5.72 14.19 48.93 13.07 0.07 1.41 0.66 66 L H H 71.25 8.99 12.84 22.85 95.94 80.86 -67.61 -36.90 21.19 1.56 77.25 12.36 3.61 5.99 63.75 12.83 0.03 1.10 0.34 67 K H H 116.59 3.95 15.77 20.58 95.07 62.05 -68.04 -35.71 21.34 2.19 76.47 10.43 3.45 7.86 64.41 11.66 0.05 1.75 0.39 68 I H H 87.10 4.26 15.61 20.74 95.66 52.09 -71.35 -38.30 21.80 3.99 74.22 10.82 4.12 7.99 63.64 9.34 0.11 3.29 0.67 69 V H H 60.79 7.52 13.66 22.55 96.02 55.84 -68.33 -41.07 25.69 4.77 69.54 16.80 4.97 5.81 63.66 4.34 0.05 3.56 0.82 70 Y H H 110.08 5.73 14.14 21.04 96.06 53.90 -69.28 -36.88 26.43 4.24 69.33 18.22 3.68 6.05 61.96 5.87 0.03 3.50 0.69 71 R H H 126.07 3.41 14.14 18.49 94.33 57.33 -67.25 -35.98 22.77 3.20 74.03 12.89 3.78 7.19 63.23 9.53 0.06 2.78 0.54 72 R H H 120.73 4.59 12.91 18.87 93.52 55.57 -68.84 -34.41 23.06 3.06 73.88 11.51 3.97 8.58 61.91 10.79 0.09 2.55 0.61 73 F H H 108.58 6.09 11.10 18.53 98.65 50.99 -82.41 -22.38 30.13 2.93 66.94 15.69 5.19 10.80 54.74 10.66 0.08 2.06 0.79 74 R H H 152.71 3.08 12.06 16.46 97.72 66.73 -73.86 -23.09 41.88 3.02 55.10 16.41 7.67 19.24 45.61 7.98 0.15 1.75 1.18 75 H C T 133.49 2.46 12.31 15.50 100.72 44.10 -92.14 5.01 66.76 1.41 31.83 12.64 11.20 41.95 26.47 6.21 0.08 0.72 0.73 76 G C T 46.29 4.15 12.20 17.82 103.30 -105.54 83.08 12.20 89.21 1.95 8.84 30.76 16.95 42.07 5.02 3.37 0.00 1.13 0.70 77 F C C 113.68 6.50 9.40 17.62 115.69 135.25 -91.93 132.87 82.69 11.16 6.15 62.76 11.42 7.39 3.34 2.94 0.01 5.71 6.44 78 R C C 141.26 4.05 10.57 16.55 117.91 -164.83 -109.38 133.72 86.11 10.03 3.85 73.03 7.13 5.14 1.93 1.86 0.00 5.41 5.49 79 E C C 138.36 3.33 9.77 15.04 111.94 -133.62 -83.64 131.02 88.67 5.69 5.64 45.23 15.91 28.16 1.46 3.84 0.00 3.21 2.18 80 G C T 60.29 1.33 11.46 13.07 107.18 13.22 86.29 -21.47 93.98 1.91 4.11 23.46 32.46 38.31 0.53 3.46 0.00 1.13 0.65 81 T C C 98.02 2.81 9.75 14.03 115.93 51.02 -98.14 135.87 94.10 2.68 3.22 45.14 38.63 10.43 0.47 2.73 0.00 1.33 1.26 82 T C C 98.44 2.66 10.67 14.98 115.37 -114.69 -94.36 132.03 96.36 3.36 0.27 64.71 31.54 0.63 0.11 0.13 0.00 1.51 1.37 83 P C C 82.31 6.33 8.70 16.79 113.34 -114.13 -67.14 147.68 97.01 2.50 0.49 89.45 6.81 0.72 0.25 0.18 0.00 1.09 1.49 84 K C C 144.35 2.68 11.02 15.48 115.37 -117.71 -86.46 136.02 97.37 1.43 1.21 91.75 5.09 0.54 1.01 0.19 0.00 0.58 0.84 85 P C C 91.33 4.63 9.80 16.34 113.41 -105.88 -65.87 147.54 83.46 3.25 13.29 76.14 3.95 3.34 11.38 1.89 0.00 1.52 1.78 86 K C C 144.26 3.20 9.74 14.76 110.20 -120.57 -82.29 131.17 69.22 2.80 27.98 58.58 6.06 4.51 25.18 2.92 0.00 1.31 1.43 87 R H H 163.67 2.80 9.84 14.31 109.84 -134.36 -85.84 132.18 47.98 3.03 48.99 38.20 5.89 4.58 43.33 5.09 0.01 1.94 0.95 88 A H H 77.27 3.15 10.27 14.85 109.40 -117.68 -77.60 136.91 38.18 2.91 58.91 29.26 4.91 5.02 51.76 6.19 0.01 2.19 0.65 89 A H H 72.72 3.83 10.07 15.51 110.06 -108.96 -82.18 128.22 35.64 3.91 60.45 26.20 5.22 5.51 53.20 6.05 0.02 2.93 0.86 90 V H H 98.25 3.84 9.87 15.32 108.83 -134.08 -87.14 118.73 37.08 4.78 58.13 26.88 5.89 5.92 52.40 4.36 0.03 3.41 1.10 91 A H H 73.94 3.30 10.01 14.93 110.63 -119.93 -83.12 137.84 44.94 4.29 50.77 31.14 7.00 7.67 46.79 3.50 0.03 2.69 1.18 92 A C H 79.80 3.00 9.25 13.90 110.47 -127.71 -85.03 125.29 55.87 3.13 41.00 36.09 9.28 10.47 37.40 3.95 0.02 1.76 1.02 93 S C C 81.87 2.78 8.72 13.15 110.23 -124.34 -87.41 121.24 65.33 3.01 31.66 37.61 10.56 16.84 26.95 5.22 0.03 1.68 1.12 94 S C C 90.83 1.77 8.20 11.43 105.44 -142.47 -89.01 29.63 71.54 3.62 24.84 34.61 15.57 21.85 18.69 5.85 0.04 2.01 1.38 95 S C C 89.36 1.73 7.86 11.10 107.00 103.65 -89.82 73.25 81.64 2.97 15.39 61.33 4.10 16.67 11.23 3.54 0.00 1.74 1.39 96 S C C 85.70 2.50 9.75 13.85 109.80 -152.12 -90.41 112.44 99.81 0.10 0.09 99.51 0.18 0.18 0.04 0.01 0.00 0.05 0.02