# 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 41.71 6.12 14.64 21.93 125.25 -129.01 90.53 176.79 99.79 0.20 0.01 99.68 0.14 0.04 0.00 0.00 0.00 0.11 0.02 1 H C C 141.47 3.62 12.04 17.46 114.09 -85.70 -96.17 132.21 83.40 8.96 7.64 74.64 2.21 6.13 1.28 6.57 0.00 5.95 3.22 2 M C C 111.29 6.54 10.16 18.28 114.74 -150.38 -92.13 132.59 84.32 7.23 8.45 51.63 17.56 14.81 0.97 7.98 0.00 4.75 2.29 3 A C C 72.28 5.34 12.66 19.67 115.38 -128.98 -85.70 135.74 84.92 7.83 7.25 57.39 18.06 8.64 1.00 6.95 0.00 4.76 3.22 4 L C C 64.69 12.17 10.06 22.74 118.59 -131.67 -92.92 138.63 93.49 5.78 0.73 59.90 32.94 1.01 0.31 0.40 0.00 2.87 2.57 5 P C C 72.69 4.52 14.56 20.39 113.15 -105.12 -65.88 148.95 92.68 4.22 3.10 84.69 4.59 3.31 0.93 2.15 0.00 2.13 2.21 6 K C T 143.10 5.42 11.62 18.94 94.93 -113.99 -64.08 -25.03 82.69 1.09 16.23 16.35 15.75 49.67 1.62 15.42 0.00 0.57 0.62 7 D C T 119.94 1.64 14.82 16.56 96.68 55.25 -85.22 -0.79 82.76 1.10 16.14 14.19 16.51 51.20 1.59 15.36 0.00 0.59 0.56 8 A C C 50.78 8.55 14.10 24.00 105.54 86.76 -86.14 55.46 85.62 2.51 11.87 47.37 29.67 7.58 1.67 10.91 0.00 1.12 1.68 9 I C C 58.02 15.74 13.92 29.43 116.70 106.72 -90.01 132.75 97.22 2.29 0.49 79.73 16.87 0.55 0.25 0.19 0.00 0.83 1.58 10 P C C 27.25 15.96 14.64 31.24 115.82 -111.48 -66.94 150.31 97.80 1.71 0.49 94.89 2.58 0.44 0.22 0.16 0.00 0.73 0.98 11 S C C 53.16 5.04 22.57 27.39 119.68 -115.76 -79.25 156.77 93.16 5.90 0.94 89.26 2.39 0.38 0.62 0.21 0.00 1.17 5.98 12 L H G 48.17 19.22 12.43 30.89 91.87 -113.87 -59.87 -33.69 13.92 0.29 85.78 2.98 2.18 8.20 39.99 46.38 0.01 0.18 0.09 13 S H G 79.75 3.40 18.94 23.43 90.38 62.28 -64.92 -26.00 9.91 0.15 89.94 1.21 1.06 7.03 39.79 50.77 0.00 0.11 0.03 14 E H G 102.27 6.86 19.39 26.88 92.45 57.93 -78.40 -15.60 8.86 0.15 90.99 1.27 1.09 5.97 41.88 49.66 0.00 0.10 0.03 15 C H H 8.11 23.53 12.46 35.67 101.34 63.10 -90.62 12.56 38.55 2.19 59.26 15.69 8.87 14.96 31.92 26.25 0.12 1.07 1.11 16 Q C C 93.81 9.49 21.34 31.16 108.95 117.60 -85.00 115.45 57.73 36.67 5.60 39.39 11.88 2.92 4.17 1.29 0.07 6.92 33.37 17 C C C 23.77 18.35 14.07 32.04 118.62 97.07 -108.43 140.06 88.32 8.58 3.11 69.12 16.24 2.29 2.70 0.77 0.00 3.51 5.36 18 G H H 41.76 5.37 21.39 27.19 94.39 -111.66 -57.55 -41.49 46.93 0.98 52.09 3.59 12.55 31.08 43.05 8.02 0.56 0.47 0.67 19 I H H 49.73 14.24 18.70 32.64 95.55 43.64 -74.47 -34.37 43.17 0.53 56.29 1.28 4.05 37.77 44.66 11.02 0.55 0.27 0.39 20 C H H 6.67 23.35 15.69 38.75 97.04 38.71 -85.92 -21.54 36.09 1.33 62.59 2.88 2.90 29.56 48.55 14.16 0.60 0.84 0.52 21 M H H 65.51 14.04 17.91 31.65 92.71 76.76 -62.48 -36.02 11.20 1.44 87.36 3.01 1.79 6.72 70.37 16.40 0.27 1.11 0.32 22 E H H 109.53 5.05 22.58 27.88 92.49 54.79 -67.37 -30.47 13.86 2.12 84.02 2.16 1.74 9.99 67.47 16.07 0.42 1.76 0.39 23 I H H 31.34 17.02 18.09 34.75 95.87 49.31 -81.78 -25.46 19.14 3.14 77.72 3.25 2.51 14.50 64.78 11.28 0.63 2.35 0.70 24 L H H 20.27 22.29 15.67 36.89 96.48 67.11 -80.71 -6.51 42.03 11.11 46.86 19.17 8.84 16.13 40.48 4.58 0.43 6.43 3.94 25 V C S 68.07 10.55 19.87 30.33 100.97 72.02 -88.74 -21.98 75.93 9.13 14.94 24.69 35.50 16.01 12.70 2.74 0.13 5.11 3.11 26 E C S 104.50 5.60 21.59 27.63 123.04 27.85 -113.97 140.64 91.51 7.23 1.26 15.71 72.90 3.40 0.68 0.46 0.00 5.68 1.17 27 P C C 54.15 14.62 17.11 31.37 113.85 -95.21 -66.72 143.76 87.36 10.71 1.93 76.03 8.04 2.70 0.72 1.12 0.00 10.19 1.20 28 V E E 29.19 17.53 17.73 35.17 121.86 -165.21 -115.80 135.90 45.17 52.98 1.84 37.90 4.33 1.15 1.05 0.96 0.00 40.86 13.74 29 T E E 61.48 10.44 22.38 33.02 120.30 -151.53 -109.44 132.71 44.45 54.53 1.03 37.03 4.34 0.85 0.60 0.57 0.00 43.88 12.71 30 L C C 16.05 20.88 14.29 35.05 121.14 -149.47 -94.99 148.16 77.76 21.31 0.93 67.49 7.74 1.77 0.27 0.77 0.00 18.13 3.83 31 P C T 61.00 9.01 19.96 29.74 96.72 -109.62 -64.14 -19.81 90.57 2.50 6.93 10.92 15.53 63.53 0.57 6.97 0.00 1.96 0.52 32 C C T 40.77 14.61 15.50 29.94 98.09 45.98 -89.74 5.13 92.17 1.16 6.67 7.38 15.60 68.52 0.55 6.77 0.00 0.80 0.37 33 N C C 108.34 5.16 20.67 26.64 96.59 -113.97 60.89 29.07 84.77 8.41 6.82 36.75 29.42 18.66 0.82 6.51 0.01 4.69 3.13 34 H C C 43.08 17.95 13.72 31.14 115.92 148.94 -87.33 135.09 84.84 11.56 3.60 68.91 10.68 4.58 1.76 2.04 0.01 7.50 4.53 35 T C C 69.68 9.70 21.78 31.53 101.08 -167.38 -95.77 -6.53 68.89 20.79 10.31 30.65 28.84 11.20 4.91 5.23 0.25 13.45 5.47 36 L C C 40.72 16.74 20.61 36.60 111.70 82.57 -90.26 130.54 61.32 28.15 10.53 26.06 24.27 13.01 5.19 5.19 0.48 15.67 10.14 37 C C C 13.53 21.41 18.31 38.79 103.44 50.21 -83.97 25.21 74.50 13.42 12.07 58.38 9.50 5.71 8.69 4.11 0.02 7.59 6.00 38 K H H 85.22 13.93 20.10 33.13 93.79 87.79 -61.30 -42.79 10.09 0.15 89.75 5.61 2.25 2.87 87.52 1.63 0.00 0.07 0.05 39 P H H 73.26 3.97 24.07 27.76 91.84 50.89 -64.30 -38.90 4.09 0.07 95.84 0.92 0.47 2.62 93.09 2.83 0.01 0.05 0.01 40 C H H 20.70 14.66 20.11 35.25 92.08 49.90 -65.53 -41.86 2.32 0.09 97.60 0.59 0.27 1.40 94.27 3.38 0.01 0.07 0.01 41 F H H 7.59 24.34 17.40 41.59 91.77 50.29 -64.45 -42.49 1.62 0.09 98.28 0.56 0.22 0.85 96.64 1.64 0.01 0.07 0.01 42 Q H H 79.65 9.85 21.91 31.84 91.57 51.29 -63.51 -41.73 2.28 0.12 97.60 0.75 0.30 1.23 96.76 0.85 0.01 0.08 0.02 43 S H H 50.21 4.08 22.68 26.58 91.80 49.95 -64.96 -41.06 4.44 0.20 95.37 1.27 0.57 2.53 94.53 0.92 0.02 0.12 0.04 44 T H H 18.60 15.91 17.61 34.02 92.45 49.11 -66.44 -40.94 6.52 0.30 93.18 2.04 0.91 3.57 92.08 1.12 0.02 0.19 0.07 45 V H H 24.90 18.92 15.48 33.90 92.93 49.95 -66.78 -39.86 9.16 0.36 90.48 2.95 1.36 5.05 88.46 1.81 0.04 0.22 0.11 46 E H H 126.66 3.27 19.10 22.98 92.61 51.07 -68.36 -34.17 15.45 0.25 84.30 2.99 1.79 10.50 82.44 1.99 0.06 0.12 0.11 47 K H H 129.40 3.40 17.93 21.73 97.19 45.91 -84.50 -18.89 28.29 0.33 71.38 4.49 3.71 20.18 69.17 2.06 0.07 0.13 0.18 48 A C H 39.34 14.24 14.09 27.94 105.98 54.03 -85.79 31.80 65.13 1.77 33.10 24.05 16.02 25.33 28.95 3.94 0.04 0.77 0.89 49 S C C 56.77 8.65 20.63 29.29 108.35 -150.78 -89.07 100.36 79.40 7.09 13.51 37.90 15.22 27.17 7.58 5.49 0.01 5.36 1.27 50 L C C 35.89 18.52 17.73 35.55 107.00 122.92 -97.88 29.92 64.98 27.52 7.50 39.22 17.19 9.42 3.00 4.13 0.01 25.45 1.59 51 C E B 34.35 11.35 22.84 34.87 131.48 107.29 -126.55 151.05 9.24 90.28 0.48 7.67 1.22 0.17 0.48 0.10 0.00 31.87 58.49 52 C C C 7.03 21.17 15.30 37.45 109.69 -108.85 -74.23 127.64 86.70 13.18 0.11 86.39 0.83 0.19 0.03 0.05 0.00 10.94 1.57 53 P C T 49.04 10.95 19.97 32.28 92.76 -144.61 -67.33 -23.41 98.84 0.26 0.90 0.72 3.90 94.34 0.05 0.74 0.00 0.19 0.05 54 F C T 87.66 10.89 18.01 29.14 100.42 43.50 -86.68 -40.12 98.88 0.20 0.92 0.43 3.31 95.37 0.07 0.66 0.00 0.12 0.04 55 C C T 53.01 7.86 15.80 25.03 102.29 21.55 -109.04 -9.46 98.45 0.50 1.05 3.53 8.86 86.16 0.15 0.82 0.00 0.34 0.13 56 R C C 148.82 6.65 15.47 23.68 94.54 -127.12 64.23 20.14 98.72 0.76 0.52 59.59 12.47 26.71 0.18 0.29 0.00 0.55 0.21 57 R C C 118.45 5.06 17.88 24.35 120.61 138.37 -88.80 147.33 67.53 31.73 0.73 51.83 14.79 1.45 0.46 0.39 0.00 27.57 3.51 58 R E B 123.27 8.92 18.47 28.18 113.19 -106.92 -72.41 135.79 5.88 93.89 0.23 5.14 0.47 0.09 0.24 0.05 0.00 38.65 55.35 59 V C C 16.95 20.98 12.85 33.41 117.80 -155.37 -103.33 134.65 77.42 17.64 4.93 72.07 3.84 1.40 2.50 2.05 0.00 16.50 1.65 60 S C C 55.47 8.04 21.09 29.13 104.50 -161.59 -83.08 -27.93 78.35 4.76 16.89 51.84 17.70 8.78 11.34 5.95 0.01 3.23 1.16 61 S C C 43.81 9.04 20.02 29.43 116.02 18.59 -98.83 145.64 61.36 4.39 34.25 36.01 14.48 11.50 24.84 9.07 0.07 2.28 1.76 62 W H H 62.16 17.68 15.63 32.46 95.17 -119.29 -67.72 -28.55 28.85 3.27 67.88 12.72 7.01 10.15 48.98 17.80 0.18 2.40 0.76 63 T H H 50.56 11.21 17.55 29.31 94.00 64.28 -69.86 -31.34 22.57 6.70 70.73 10.60 4.43 8.27 52.06 17.77 0.16 5.82 0.89 64 R H H 107.05 7.64 18.52 26.70 94.46 57.63 -73.18 -28.60 21.34 9.79 68.87 10.66 4.28 7.69 51.69 15.54 0.21 8.81 1.11 65 Y H H 67.93 13.49 15.71 29.33 98.70 57.65 -78.56 -25.71 27.24 11.94 60.82 15.16 5.90 8.75 49.58 8.46 0.28 9.96 1.91 66 H H H 71.15 12.27 15.18 27.71 101.44 58.40 -86.42 -8.78 40.38 10.04 49.58 23.68 7.43 11.17 42.93 4.98 0.16 7.62 2.02 67 T C H 67.53 7.45 14.97 23.45 103.09 72.80 -85.82 -10.31 51.93 5.44 42.64 24.23 10.77 18.11 36.68 5.00 0.16 3.56 1.48 68 R C H 130.31 6.91 13.74 21.65 99.10 60.96 -76.62 -14.62 61.57 3.46 34.97 21.73 14.42 26.21 29.07 5.26 0.14 1.94 1.23 69 R C T 142.38 5.48 15.26 21.77 100.32 54.77 -81.86 -5.09 73.57 1.91 24.52 18.08 14.88 40.43 19.11 5.56 0.06 1.01 0.88 70 N C T 93.81 7.73 15.59 24.12 101.38 20.62 -69.97 31.73 81.67 4.20 14.13 28.69 17.07 36.87 8.59 4.89 0.02 2.71 1.17 71 S C C 36.22 13.58 14.79 28.75 116.20 132.71 -101.22 144.55 69.73 19.55 10.72 47.27 13.39 8.88 6.83 4.40 0.05 15.00 4.18 72 L C C 65.12 12.56 19.51 32.05 105.48 -152.08 -89.36 45.51 59.90 30.59 9.51 42.47 11.81 4.92 7.59 2.91 0.07 23.16 7.06 73 V C C 32.54 18.53 17.05 34.89 116.15 124.65 -95.55 131.40 62.18 30.28 7.54 49.31 10.07 2.11 6.87 1.59 0.02 21.48 8.56 74 N C C 39.13 14.48 17.86 32.61 106.99 -119.43 -81.06 108.33 85.35 10.43 4.22 81.82 2.76 1.00 3.97 0.58 0.00 7.11 2.76 75 V H H 75.52 8.59 18.47 27.94 94.30 -158.00 -65.22 -35.28 4.09 0.07 95.83 1.61 0.54 1.87 95.37 0.56 0.00 0.04 0.01 76 E H H 105.74 4.06 21.43 25.66 92.28 53.75 -64.99 -40.51 1.88 0.02 98.10 0.33 0.14 1.34 97.67 0.50 0.00 0.01 0.00 77 L H H 15.11 18.98 17.70 36.71 92.25 49.50 -65.58 -42.38 0.68 0.01 99.31 0.11 0.04 0.46 98.91 0.47 0.00 0.00 0.00 78 W H H 36.25 18.03 17.50 35.42 91.62 51.42 -63.12 -42.39 0.14 0.00 99.85 0.03 0.01 0.07 99.83 0.06 0.00 0.00 0.00 79 T H H 68.81 3.24 22.82 25.50 91.46 50.78 -63.64 -41.86 0.22 0.00 99.77 0.04 0.02 0.13 99.77 0.04 0.00 0.00 0.00 80 I H H 44.18 8.41 19.87 29.82 91.63 49.82 -64.23 -42.60 0.25 0.01 99.73 0.05 0.02 0.16 99.71 0.05 0.00 0.01 0.00 81 I H H 7.66 21.76 14.75 36.94 91.38 49.56 -63.93 -42.72 0.23 0.01 99.76 0.05 0.01 0.13 99.71 0.08 0.00 0.01 0.00 82 Q H H 73.39 10.85 16.38 27.84 91.58 52.13 -64.17 -36.81 0.67 0.01 99.32 0.08 0.03 0.50 99.18 0.20 0.00 0.01 0.00 83 K H H 146.94 1.24 19.74 19.37 92.57 49.44 -68.54 -38.01 3.45 0.00 96.54 0.08 0.10 3.37 96.16 0.27 0.00 0.00 0.00 84 H H H 84.97 8.72 16.15 25.78 99.45 36.88 -89.67 -31.80 7.92 0.01 92.07 0.17 0.51 7.35 91.73 0.22 0.01 0.00 0.01 85 Y C C 46.49 14.55 11.63 26.80 111.15 24.41 -131.54 66.09 98.80 0.35 0.84 74.44 23.60 0.45 0.99 0.07 0.00 0.07 0.37 86 P H H 72.72 6.20 13.98 22.34 93.87 160.43 -60.19 -37.98 7.05 0.07 92.89 2.59 0.57 3.76 89.18 3.84 0.00 0.03 0.03 87 R H H 159.93 1.49 19.42 19.76 91.78 51.58 -65.02 -39.61 3.25 0.03 96.72 0.51 0.26 2.41 93.29 3.51 0.01 0.02 0.01 88 E H H 65.77 9.26 17.22 27.53 92.37 49.57 -66.49 -40.14 1.81 0.04 98.15 0.65 0.19 0.98 95.31 2.85 0.00 0.03 0.01 89 C H H 13.93 16.21 13.61 30.83 91.55 51.35 -63.40 -41.92 1.73 0.05 98.22 0.75 0.22 0.78 96.68 1.52 0.00 0.03 0.01 90 K H H 115.80 3.25 20.96 24.25 91.44 51.22 -63.88 -41.07 2.62 0.13 97.26 0.92 0.34 1.44 95.88 1.31 0.01 0.07 0.02 91 L H H 72.94 4.55 18.31 23.76 91.95 50.17 -64.65 -41.34 4.19 0.20 95.61 1.55 0.57 2.23 94.04 1.43 0.01 0.12 0.04 92 R H H 88.30 11.19 15.39 27.15 92.25 50.74 -65.44 -39.65 7.52 0.27 92.21 2.63 0.96 3.98 90.65 1.52 0.03 0.16 0.06 93 A H H 50.56 9.51 14.74 25.22 92.58 51.85 -67.75 -31.64 18.44 0.33 81.23 3.79 2.17 12.18 79.99 1.54 0.05 0.15 0.13 94 S C T 75.59 2.55 16.46 19.08 95.27 53.12 -83.23 -9.41 58.34 0.56 41.09 5.82 7.05 43.12 41.56 1.87 0.05 0.21 0.32 95 G C T 45.33 6.05 12.33 19.86 101.30 -108.03 78.61 9.09 91.25 0.70 8.05 20.02 15.11 56.32 6.00 1.86 0.00 0.31 0.36 96 S C C 70.58 4.63 11.92 18.22 103.23 129.18 -83.48 13.60 90.53 1.96 7.52 54.98 19.97 15.74 3.06 4.08 0.00 0.86 1.31 97 G C C 51.65 3.89 12.14 17.59 103.03 2.25 70.26 5.63 91.00 1.66 7.34 50.08 20.89 20.14 1.96 5.21 0.00 0.80 0.91 98 S C C 77.86 4.01 10.11 15.86 104.36 103.74 -86.32 20.58 91.46 1.67 6.87 45.68 23.61 22.36 1.55 5.13 0.00 0.80 0.85 99 G C C 57.35 2.21 10.96 14.62 106.52 8.36 57.98 6.41 95.47 1.03 3.50 71.46 7.14 17.24 0.88 2.19 0.00 0.58 0.51 100 S C C 81.30 3.38 11.69 16.77 110.03 91.67 -86.50 117.39 99.88 0.09 0.04 99.55 0.26 0.11 0.01 0.01 0.00 0.05 0.02