# 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 88.78 9.06 13.22 23.01 108.31 -133.94 -79.06 123.29 99.77 0.06 0.17 99.63 0.09 0.10 0.13 0.01 0.00 0.02 0.01 1 G C C 38.60 5.24 12.32 18.88 103.78 -111.40 -72.36 -37.19 68.73 0.44 30.84 62.80 0.94 4.10 30.85 0.94 0.00 0.17 0.19 2 R H H 155.07 2.89 11.76 15.91 96.22 42.08 -68.78 -34.74 34.45 0.44 65.11 22.77 5.70 6.32 62.94 1.91 0.00 0.18 0.17 3 K H H 133.47 1.89 13.45 15.68 94.14 54.52 -66.95 -39.16 19.89 0.32 79.79 13.05 3.39 4.35 76.83 2.13 0.00 0.15 0.11 4 K H H 105.62 4.54 14.52 20.30 93.51 51.35 -66.63 -39.50 12.07 0.26 87.67 8.33 1.85 2.83 84.80 1.97 0.00 0.14 0.08 5 L H H 55.85 10.53 13.21 24.87 92.95 51.42 -65.79 -40.42 9.19 0.18 90.63 6.02 1.37 2.38 88.63 1.47 0.00 0.09 0.06 6 S H H 58.14 3.94 17.23 21.85 92.82 51.97 -65.14 -40.45 9.07 0.13 90.80 5.52 1.30 2.60 89.31 1.16 0.00 0.06 0.05 7 R H H 134.87 2.38 19.63 21.48 92.61 49.87 -65.75 -40.29 7.06 0.09 92.86 3.56 1.10 2.57 91.73 0.97 0.00 0.04 0.03 8 A H H 25.90 12.85 16.37 30.11 92.44 50.86 -65.02 -41.51 7.82 0.09 92.09 3.64 1.13 3.08 91.12 0.96 0.01 0.04 0.04 9 R H H 84.59 14.25 18.20 31.89 91.68 51.64 -64.08 -40.45 7.17 0.07 92.77 3.41 1.04 2.81 91.88 0.80 0.00 0.03 0.03 10 E H H 107.86 3.28 22.22 25.23 91.82 51.10 -64.16 -40.97 4.67 0.04 95.29 2.11 0.70 1.83 94.84 0.48 0.00 0.01 0.02 11 S H H 47.47 6.16 22.16 28.71 92.16 49.39 -64.94 -41.30 5.41 0.04 94.55 2.27 0.73 2.38 94.05 0.54 0.00 0.02 0.02 12 I H H 9.69 22.67 18.16 40.58 92.03 49.41 -64.44 -43.76 3.00 0.02 96.98 1.04 0.43 1.49 96.61 0.40 0.01 0.01 0.01 13 I H H 46.91 15.72 21.16 36.20 91.62 50.08 -63.15 -42.13 1.88 0.01 98.11 0.65 0.27 0.93 97.91 0.24 0.00 0.00 0.00 14 N H H 95.50 2.39 25.94 27.23 91.67 50.03 -64.63 -40.96 2.78 0.01 97.21 0.66 0.32 1.69 97.08 0.25 0.00 0.00 0.00 15 S H H 25.55 13.69 22.04 35.75 92.09 49.81 -65.59 -41.64 2.01 0.00 97.98 0.32 0.19 1.37 97.89 0.21 0.00 0.00 0.00 16 L H H 3.01 26.24 17.97 44.45 91.43 50.38 -64.02 -42.05 0.73 0.00 99.27 0.15 0.07 0.41 99.24 0.12 0.00 0.00 0.00 17 S H H 44.56 9.03 22.94 32.35 91.31 53.06 -62.39 -41.31 0.62 0.00 99.37 0.12 0.05 0.35 99.35 0.13 0.00 0.00 0.00 18 L H H 77.20 3.89 24.24 27.79 91.70 50.57 -64.34 -41.92 0.58 0.01 99.42 0.10 0.05 0.35 99.33 0.16 0.00 0.00 0.00 19 V H H 10.58 18.85 16.94 36.33 91.97 49.94 -64.44 -42.77 0.82 0.02 99.15 0.16 0.08 0.51 98.95 0.28 0.01 0.01 0.00 20 T H H 34.85 17.76 15.66 32.67 92.11 50.59 -63.79 -41.07 1.79 0.03 98.17 0.28 0.13 1.26 97.52 0.78 0.01 0.02 0.00 21 K H H 154.37 1.63 19.68 20.96 91.30 52.35 -65.78 -31.11 7.21 0.03 92.77 0.34 0.34 6.49 92.10 0.69 0.02 0.01 0.01 22 S C T 64.33 4.89 16.93 22.75 92.95 51.41 -84.03 -9.94 58.06 0.06 41.88 0.66 2.02 54.30 41.87 1.07 0.01 0.02 0.05 23 G C T 36.06 9.93 16.40 26.85 97.15 -110.22 82.08 9.17 99.63 0.10 0.27 2.84 10.75 86.14 0.09 0.09 0.00 0.07 0.02 24 K C C 102.66 8.68 20.92 29.94 98.82 112.13 -93.18 -5.27 91.93 7.96 0.12 57.91 32.17 1.30 0.02 0.11 0.00 8.19 0.30 25 Y E E 31.40 21.78 16.22 37.32 130.78 58.35 -129.14 143.86 18.50 81.39 0.12 14.80 4.07 0.24 0.05 0.08 0.00 78.96 1.80 26 Q E E 44.92 14.35 24.59 38.73 125.61 -164.44 -121.51 138.47 6.61 93.36 0.03 6.70 0.22 0.02 0.02 0.01 0.00 90.99 2.05 27 L E E 39.46 18.99 22.21 39.90 122.15 -162.22 -118.71 132.15 22.60 77.36 0.03 19.77 2.40 0.08 0.01 0.02 0.00 76.87 0.84 28 G C S 14.21 11.71 25.50 38.14 123.20 21.65 97.39 161.52 95.16 2.51 2.33 19.24 74.20 1.77 2.74 0.20 0.00 1.21 0.65 29 I H H 27.32 22.03 16.91 38.18 91.95 -91.85 -60.90 -39.87 1.72 0.00 98.28 0.15 0.34 1.06 98.28 0.18 0.00 0.00 0.00 30 D H H 96.15 4.27 23.69 28.69 91.66 51.66 -63.65 -41.08 0.82 0.00 99.18 0.05 0.06 0.61 99.10 0.18 0.00 0.00 0.00 31 K H H 94.29 6.83 23.97 30.97 91.92 47.50 -66.78 -40.26 0.26 0.00 99.74 0.03 0.02 0.17 99.64 0.15 0.00 0.00 0.00 32 T H H 1.77 26.47 17.22 44.29 91.21 50.45 -63.76 -43.80 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.04 0.00 0.00 0.00 33 L H H 23.35 19.03 22.02 40.27 91.26 49.83 -63.54 -42.64 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 34 Q H H 94.89 2.93 26.57 28.62 91.61 50.25 -63.81 -42.10 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 35 S H H 13.32 13.49 20.04 34.80 91.44 50.15 -63.94 -42.17 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 36 L H H 3.92 25.71 15.06 41.03 91.52 49.84 -64.12 -42.58 0.36 0.00 99.64 0.02 0.01 0.29 99.49 0.19 0.00 0.00 0.00 37 R H H 124.07 9.11 19.85 29.50 91.37 51.24 -64.70 -34.14 2.51 0.00 97.49 0.04 0.05 2.49 97.19 0.22 0.00 0.00 0.00 38 N C T 105.82 2.29 20.88 22.40 92.25 52.28 -84.73 -5.11 69.52 0.01 30.47 0.21 0.90 67.86 30.52 0.50 0.00 0.00 0.01 39 G C T 36.70 12.18 15.28 27.57 94.78 -114.40 78.20 12.70 99.68 0.01 0.31 0.73 2.64 96.43 0.14 0.05 0.00 0.00 0.00 40 E C S 103.04 6.00 22.10 28.85 95.03 124.00 -83.72 -15.51 99.58 0.29 0.13 44.40 53.15 2.06 0.03 0.09 0.00 0.12 0.15 41 A C C 4.60 25.09 13.24 38.32 121.18 72.28 -98.35 140.96 93.53 6.38 0.08 82.99 9.61 0.61 0.01 0.10 0.00 6.33 0.36 42 K C S 86.28 10.27 26.68 37.91 100.05 -169.13 -94.49 -26.74 92.45 7.54 0.01 13.72 78.34 0.24 0.00 0.01 0.00 7.61 0.09 43 L E E 8.94 21.80 26.49 47.55 136.28 14.33 -145.21 144.63 1.79 98.20 0.01 1.24 0.47 0.03 0.00 0.00 0.00 98.21 0.05 44 V E E 1.06 27.12 27.34 54.31 120.74 -160.96 -117.98 127.71 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 45 I E E 1.67 26.18 29.23 54.86 117.05 -161.97 -109.40 124.95 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 46 F E E 6.45 24.34 26.90 50.05 129.97 -177.30 -126.57 144.39 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 47 A E E 4.80 22.33 20.70 43.43 114.42 -115.40 -74.72 141.30 24.64 75.34 0.02 23.61 0.59 0.05 0.00 0.01 0.00 75.49 0.25 48 S C T 50.10 11.22 22.04 33.75 93.17 -129.71 -66.88 -23.35 93.95 5.27 0.78 3.41 24.54 66.31 0.03 0.81 0.00 4.54 0.36 49 N C T 94.38 5.63 22.33 28.80 94.90 59.45 -89.52 6.33 98.19 1.21 0.60 7.31 29.38 61.48 0.04 0.70 0.00 0.90 0.19 50 V C S 12.93 23.56 9.10 31.62 118.29 114.26 -77.73 143.58 98.02 1.49 0.48 44.70 52.68 0.59 0.23 0.16 0.00 0.40 1.23 51 A C C 51.27 4.38 18.72 23.71 114.33 -101.82 -64.07 148.06 99.78 0.05 0.17 99.08 0.65 0.10 0.11 0.01 0.00 0.01 0.03 52 P H H 99.96 3.76 14.15 19.80 91.48 -111.41 -57.35 -37.92 9.52 0.02 90.46 1.19 1.05 6.65 82.43 8.63 0.01 0.01 0.01 53 A H H 76.04 1.84 17.58 19.05 91.64 54.51 -64.35 -36.50 7.48 0.02 92.51 0.70 0.62 5.61 83.20 9.85 0.01 0.01 0.01 54 H H H 49.45 15.54 15.05 30.38 92.87 47.99 -70.64 -34.88 5.34 0.04 94.62 1.08 0.56 3.25 83.95 11.12 0.00 0.02 0.01 55 R H H 74.83 16.98 15.97 31.94 91.60 57.25 -61.39 -42.98 3.16 0.01 96.83 0.86 0.36 1.64 95.01 2.13 0.00 0.00 0.00 56 S H H 62.65 2.29 23.63 24.41 91.59 51.17 -63.67 -41.07 4.00 0.01 96.00 0.43 0.24 2.88 94.83 1.60 0.00 0.00 0.00 57 L H H 59.57 8.68 22.22 31.42 91.66 50.02 -64.54 -41.45 2.05 0.00 97.95 0.26 0.15 1.45 97.40 0.73 0.00 0.00 0.00 58 I H H 1.79 27.04 15.97 43.82 91.23 49.92 -63.90 -43.07 0.22 0.00 99.78 0.04 0.02 0.11 99.75 0.08 0.00 0.00 0.00 59 E H H 78.20 12.68 22.02 34.06 91.38 52.08 -62.22 -42.12 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 60 Y H H 128.61 2.25 25.39 25.90 91.63 49.89 -63.71 -42.45 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 Y H H 39.65 15.03 20.84 36.00 92.07 49.01 -64.77 -42.46 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.02 0.00 0.00 0.00 62 A H H 3.83 23.79 14.29 38.26 91.47 51.00 -63.19 -42.56 0.10 0.00 99.90 0.00 0.00 0.07 99.88 0.04 0.00 0.00 0.00 63 M H H 120.55 3.61 20.49 24.96 91.66 49.82 -63.98 -40.21 0.35 0.00 99.65 0.01 0.01 0.31 99.52 0.15 0.00 0.00 0.00 64 L H H 107.45 3.68 20.01 24.12 91.57 51.53 -66.15 -32.65 2.65 0.00 97.35 0.04 0.07 2.57 97.12 0.21 0.00 0.00 0.00 65 S H H 28.05 15.93 14.79 30.81 93.92 48.98 -87.61 -4.58 38.70 0.03 61.27 0.49 1.42 35.69 61.83 0.53 0.01 0.00 0.02 66 G C T 55.16 2.25 22.62 24.80 94.62 -116.89 72.85 23.83 99.85 0.02 0.13 6.60 2.19 91.11 0.05 0.03 0.00 0.01 0.00 67 C C C 10.88 23.24 11.41 34.16 124.06 142.93 -98.25 150.60 98.39 1.61 0.01 94.65 3.60 0.08 0.00 0.00 0.00 1.59 0.06 68 D E E 72.94 6.11 26.04 32.68 114.54 -113.91 -77.02 136.77 36.11 63.86 0.03 33.15 1.41 0.10 0.00 0.02 0.00 65.00 0.31 69 I E E 30.60 23.47 15.04 37.98 122.32 -156.36 -116.60 130.66 3.21 96.79 0.00 3.17 0.08 0.00 0.00 0.00 0.00 96.32 0.42 70 L E E 42.83 12.85 23.70 36.79 117.35 -166.30 -114.21 122.25 1.57 98.43 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.37 0.10 71 P E E 68.29 11.17 22.73 33.79 114.44 -135.33 -78.13 134.46 6.66 93.33 0.01 6.26 0.24 0.02 0.00 0.00 0.00 93.28 0.19 72 F C C 32.14 21.24 12.82 33.22 122.62 -164.76 -114.16 135.86 60.30 39.45 0.26 56.18 2.42 0.48 0.05 0.18 0.00 39.58 1.11 73 D C C 110.18 2.50 21.95 24.23 101.43 -155.63 -96.79 24.16 88.02 11.45 0.54 50.50 29.80 7.58 0.08 0.50 0.00 10.80 0.72 74 G C S 27.43 12.80 16.99 29.35 119.88 34.51 110.72 7.75 94.88 4.42 0.70 17.69 69.53 7.90 0.12 0.53 0.00 3.45 0.77 75 D C C 72.51 6.13 23.44 29.49 125.56 -68.55 -103.57 153.87 95.61 2.35 2.05 77.14 17.05 1.26 1.72 0.43 0.00 0.88 1.51 76 N H H 38.13 21.12 14.99 35.12 92.81 -111.83 -61.84 -35.30 6.02 0.03 93.95 1.05 1.75 3.03 93.57 0.57 0.01 0.01 0.01 77 V H H 77.36 7.58 22.01 29.89 92.61 54.32 -65.54 -41.33 2.74 0.01 97.25 0.36 0.37 1.85 96.89 0.52 0.01 0.01 0.00 78 D H H 67.86 5.75 23.80 29.65 92.28 48.69 -65.94 -40.56 1.55 0.02 98.43 0.34 0.21 0.96 97.85 0.61 0.01 0.01 0.00 79 L H H 4.81 23.44 16.68 40.39 91.83 50.82 -63.81 -43.29 0.65 0.01 99.34 0.10 0.08 0.42 99.01 0.39 0.00 0.00 0.00 80 G H H 7.04 16.77 17.39 34.94 91.35 51.18 -62.48 -42.26 1.18 0.01 98.81 0.17 0.11 0.79 98.32 0.59 0.00 0.00 0.00 81 T H H 87.73 2.78 22.65 24.94 92.12 49.87 -65.37 -40.87 1.82 0.01 98.17 0.19 0.14 1.38 97.17 1.12 0.00 0.01 0.00 82 A H H 40.77 12.35 18.25 30.85 91.99 52.95 -66.43 -33.53 5.93 0.02 94.05 0.21 0.33 5.45 92.95 1.03 0.01 0.01 0.01 83 C C T 22.26 18.68 14.89 33.38 94.71 43.53 -89.44 -5.10 57.52 0.05 42.44 0.51 1.60 55.32 41.03 1.47 0.01 0.02 0.04 84 G C T 56.43 2.19 20.83 22.52 94.39 -113.08 77.85 15.21 99.33 0.03 0.65 2.47 3.72 93.34 0.30 0.14 0.00 0.01 0.01 85 K C C 74.12 11.41 12.31 24.67 130.73 117.05 -118.68 157.89 98.54 0.83 0.63 56.16 39.81 2.49 0.21 0.37 0.00 0.26 0.71 86 Y C S 169.81 3.02 17.68 21.64 97.63 -135.96 -82.52 -13.35 97.58 1.15 1.26 40.65 50.91 6.02 0.25 1.01 0.00 0.50 0.67 87 F C S 84.20 9.91 18.31 28.87 129.81 51.20 -123.51 154.04 95.58 2.39 2.03 32.55 54.37 8.65 0.33 1.77 0.00 1.29 1.03 88 R C C 108.73 11.84 22.65 33.84 111.01 -100.60 -77.20 131.45 92.59 5.37 2.04 62.31 23.75 6.50 0.35 1.90 0.00 3.44 1.74 89 S C C 9.14 23.14 19.34 41.92 124.48 -159.67 -112.59 142.05 82.15 16.83 1.02 71.35 8.47 1.73 0.23 0.93 0.00 14.62 2.67 90 S C S 17.31 19.18 25.63 43.92 99.66 -167.63 -93.91 -24.81 80.25 19.43 0.32 32.80 46.63 1.23 0.04 0.25 0.00 18.54 0.50 91 V E E 9.91 22.39 26.91 48.62 131.56 20.24 -137.57 139.01 10.67 89.10 0.23 9.08 1.50 0.23 0.06 0.12 0.00 88.58 0.44 92 I E E 3.04 26.22 26.43 52.09 123.72 -167.50 -122.43 133.23 1.68 98.29 0.03 1.54 0.11 0.01 0.01 0.01 0.00 98.26 0.07 93 S E E 9.90 20.64 28.31 47.98 122.63 -160.67 -113.74 133.63 0.87 99.12 0.01 0.77 0.04 0.00 0.01 0.00 0.00 99.16 0.02 94 I E E 8.10 23.60 21.11 44.67 115.45 -155.02 -105.07 123.34 2.77 97.21 0.02 2.76 0.07 0.01 0.01 0.01 0.00 96.92 0.23 95 I C E 62.63 12.73 22.87 35.37 99.71 -171.99 -89.29 -26.15 62.21 37.53 0.27 30.72 30.01 1.70 0.05 0.20 0.00 36.78 0.54 96 D C S 67.58 7.72 21.89 30.10 116.78 38.95 -125.60 113.35 90.98 7.16 1.85 28.14 56.28 6.46 0.88 0.81 0.00 6.60 0.83 97 A C H 47.25 14.48 15.34 29.82 93.99 -154.61 -65.58 -28.09 56.11 1.14 42.74 12.50 12.10 31.42 34.91 7.78 0.11 0.66 0.51 98 G H H 35.79 5.93 20.74 27.31 93.33 59.15 -63.16 -38.11 49.15 0.48 50.37 9.82 8.35 31.06 44.01 6.19 0.06 0.24 0.27 99 E H H 55.25 14.66 18.16 32.48 94.12 52.98 -75.07 -24.29 24.96 0.35 74.69 14.24 4.01 7.80 68.31 5.31 0.01 0.18 0.15 100 S H H 15.26 19.07 15.31 34.21 92.96 67.84 -64.18 -40.33 7.38 0.08 92.53 4.03 1.21 2.45 90.33 1.90 0.00 0.04 0.03 101 E H H 110.79 3.17 23.98 26.60 92.30 52.52 -64.48 -39.84 2.97 0.05 96.98 1.40 0.46 1.21 95.67 1.21 0.00 0.03 0.01 102 I H H 52.84 9.24 21.06 31.11 92.10 50.89 -64.58 -42.31 1.89 0.05 98.05 0.78 0.25 0.88 97.03 1.02 0.00 0.04 0.01 103 L H H 13.56 20.90 16.68 37.45 91.96 50.38 -64.44 -42.26 1.85 0.07 98.08 0.66 0.23 0.92 97.16 0.97 0.00 0.05 0.01 104 K H H 92.59 8.46 20.39 29.33 91.82 51.43 -64.01 -40.56 4.73 0.15 95.12 1.33 0.52 2.79 94.03 1.17 0.01 0.11 0.03 105 M H H 92.61 3.02 20.19 22.77 92.09 50.53 -65.29 -40.41 10.79 0.29 88.93 2.87 1.32 6.57 87.53 1.42 0.02 0.20 0.07 106 I H H 39.99 11.01 15.17 27.73 92.49 50.62 -65.54 -40.97 16.46 0.46 83.08 8.25 3.24 5.79 80.34 1.96 0.02 0.26 0.13 107 K H H 76.95 10.30 13.86 25.09 92.95 52.14 -66.26 -38.01 23.57 0.68 75.75 12.19 3.27 8.74 72.37 2.80 0.02 0.40 0.21 108 Q H H 116.50 2.27 14.01 16.77 93.73 52.12 -69.71 -31.52 31.15 0.66 68.19 13.08 4.94 14.13 63.71 3.49 0.04 0.34 0.28 109 K H H 134.03 2.72 11.82 15.70 95.94 55.49 -73.73 -25.44 45.30 0.78 53.92 14.47 9.01 23.01 49.26 3.45 0.05 0.34 0.39 110 D C C 100.33 3.83 10.15 15.58 99.93 54.23 -83.24 -3.41 67.65 0.54 31.81 36.15 2.50 27.39 31.14 2.27 0.00 0.23 0.31 111 E C C 128.62 3.78 11.26 16.67 103.33 105.51 -81.84 33.53 99.88 0.03 0.09 99.73 0.08 0.11 0.06 0.00 0.00 0.01 0.00