# 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 P C C 60.78 9.76 15.56 26.21 116.13 -98.10 -68.90 153.32 99.96 0.02 0.02 99.75 0.18 0.06 0.01 0.00 0.00 0.01 0.00 1 P C C 79.51 7.59 13.93 22.64 110.98 -103.18 -68.42 147.21 88.60 0.20 11.20 82.79 1.01 4.47 10.88 0.65 0.00 0.07 0.13 2 S C C 51.33 9.67 11.75 22.29 109.97 -121.89 -78.82 134.53 72.06 0.55 27.40 57.67 5.58 6.43 28.13 1.66 0.00 0.18 0.36 3 T H H 92.42 2.65 16.36 19.31 95.04 -120.69 -65.71 -35.35 11.27 0.09 88.63 6.62 2.12 2.89 87.22 1.08 0.00 0.03 0.04 4 A H H 39.29 9.34 16.77 27.28 93.13 54.05 -65.82 -40.36 4.25 0.05 95.70 1.95 0.60 1.72 94.82 0.87 0.00 0.02 0.01 5 L H H 18.36 20.18 14.69 34.45 91.96 50.57 -65.19 -41.31 1.68 0.02 98.30 0.71 0.20 0.72 97.75 0.60 0.00 0.01 0.00 6 R H H 113.25 7.50 19.95 28.17 91.55 52.57 -62.74 -41.16 0.47 0.00 99.53 0.17 0.05 0.19 99.48 0.11 0.00 0.00 0.00 7 E H H 89.72 4.01 22.69 26.49 91.65 50.24 -64.13 -41.57 0.28 0.00 99.72 0.08 0.02 0.13 99.73 0.04 0.00 0.00 0.00 8 L H H 15.59 19.04 19.49 38.42 91.58 49.86 -63.68 -43.20 0.16 0.00 99.83 0.04 0.01 0.08 99.85 0.02 0.00 0.00 0.00 9 I H H 20.14 19.31 19.59 38.50 90.98 50.14 -63.26 -42.50 0.11 0.00 99.89 0.02 0.01 0.05 99.91 0.01 0.00 0.00 0.00 10 E H H 105.48 3.63 24.63 28.05 91.46 50.93 -63.78 -41.24 0.13 0.00 99.87 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 11 E H H 59.88 10.16 22.17 32.79 91.69 49.53 -64.56 -42.07 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 12 L H H 7.09 23.42 18.22 41.55 91.34 49.64 -64.91 -41.75 0.50 0.00 99.50 0.05 0.02 0.33 99.52 0.07 0.00 0.00 0.00 13 V H H 49.00 11.28 21.18 32.85 91.61 50.72 -63.29 -41.35 1.65 0.00 98.35 0.19 0.10 1.17 98.27 0.25 0.00 0.00 0.00 14 N H H 81.85 3.68 23.52 26.78 91.94 50.66 -65.60 -39.50 6.21 0.02 93.77 0.65 0.44 4.90 93.17 0.81 0.01 0.01 0.01 15 I H H 23.79 16.79 18.00 34.95 92.72 50.75 -66.85 -39.79 9.44 0.08 90.48 1.42 1.06 6.95 89.00 1.45 0.03 0.03 0.04 16 T H H 27.11 17.91 16.25 33.46 94.98 50.93 -75.24 -29.50 20.09 0.33 79.58 5.13 3.19 12.63 76.85 1.84 0.06 0.13 0.19 17 Q H H 110.97 4.96 18.78 24.40 96.65 58.28 -78.58 -20.25 44.56 0.65 54.80 11.61 9.59 24.55 50.82 2.73 0.07 0.24 0.38 18 N C H 86.79 6.44 15.22 22.71 103.86 68.69 -87.39 71.06 63.84 0.89 35.27 26.19 11.94 26.38 30.46 4.14 0.02 0.35 0.51 19 Q C C 94.85 11.28 12.04 23.53 100.63 157.02 -77.52 11.31 74.73 1.36 23.91 39.06 12.93 22.94 18.72 4.98 0.01 0.59 0.76 20 K C C 140.47 3.52 15.95 20.48 99.95 89.55 -86.45 -7.46 83.14 1.97 14.89 45.09 19.94 18.35 10.18 4.44 0.01 0.86 1.13 21 A C C 47.00 9.31 13.91 24.42 118.95 88.75 -94.79 140.33 94.46 1.84 3.69 50.93 41.14 2.51 2.54 1.10 0.00 0.75 1.03 22 P C C 74.09 8.47 16.81 26.01 111.40 -110.23 -67.95 145.16 90.54 2.44 7.01 78.81 6.55 5.50 2.92 3.68 0.00 1.54 0.99 23 L C C 62.89 14.99 15.57 29.80 106.82 -133.28 -79.87 89.13 81.95 7.90 10.14 48.76 19.71 13.37 3.45 6.62 0.01 3.90 4.17 24 C C C 32.42 17.08 13.71 30.05 107.73 18.79 -98.84 95.84 81.02 10.93 8.05 45.71 21.88 13.53 2.51 5.38 0.03 4.94 6.02 25 N C T 120.45 3.26 18.40 22.57 100.70 -112.73 -10.73 49.23 85.04 4.33 10.63 22.40 20.17 42.99 2.78 7.32 0.02 2.31 2.01 26 G C T 46.80 7.02 16.85 24.60 98.22 -46.17 80.45 2.20 86.70 1.87 11.43 16.11 24.03 47.07 2.94 7.87 0.01 1.02 0.94 27 S C C 33.53 13.91 16.34 30.63 118.72 121.82 -97.59 147.39 77.28 9.54 13.18 43.42 22.92 11.50 5.55 7.34 0.04 5.07 4.16 28 M C C 53.89 15.73 21.21 36.28 112.58 -135.32 -89.26 125.35 58.03 23.60 18.38 35.47 14.96 7.91 11.32 7.65 0.23 15.25 7.21 29 V C C 19.80 21.46 21.14 41.52 114.24 -149.12 -95.67 127.28 41.20 28.22 30.58 22.49 10.69 9.38 17.99 12.36 0.48 21.35 5.25 30 W C C 37.75 20.54 22.18 41.49 114.47 -122.66 -98.89 130.42 41.71 27.08 31.21 22.96 9.54 10.30 17.49 13.25 0.28 22.71 3.47 31 S C C 35.22 14.82 25.15 39.08 115.31 -136.01 -103.26 129.65 46.91 25.71 27.39 29.43 8.69 9.40 14.84 12.41 0.12 21.59 3.54 32 I C C 18.72 21.92 19.05 40.24 114.83 -158.90 -98.49 125.61 50.79 28.17 21.03 28.28 13.03 10.18 14.31 7.03 0.42 21.41 5.33 33 N C C 47.46 12.26 22.26 34.68 107.44 -151.61 -91.08 100.54 65.27 23.58 11.15 47.23 8.45 8.55 8.03 3.83 0.04 18.82 5.05 34 L C C 42.20 18.71 16.20 34.02 96.65 -174.51 -76.40 -13.42 74.79 9.54 15.67 31.04 15.22 29.73 8.54 6.48 0.08 6.35 2.55 35 T C T 72.62 8.70 18.13 27.11 97.73 60.86 -83.55 -21.29 78.04 5.12 16.83 21.31 21.14 36.73 8.64 7.15 0.09 2.92 2.03 36 A C T 59.93 7.64 16.89 25.16 100.77 49.73 -92.41 -3.92 81.24 1.66 17.09 16.97 26.43 38.78 8.87 7.11 0.03 0.79 1.01 37 G C T 37.93 9.97 17.55 27.57 102.96 -105.61 71.21 5.93 80.48 4.19 15.32 28.82 23.38 29.47 10.08 4.45 0.04 2.22 1.53 38 M C H 72.16 12.94 19.20 31.64 99.58 93.55 -80.77 -21.14 51.20 10.83 37.97 30.74 13.05 9.39 32.74 3.93 0.25 6.64 3.26 39 Y H H 36.36 21.44 18.83 38.48 97.94 63.16 -70.50 -33.42 37.20 8.95 53.85 24.04 7.92 7.48 49.61 2.75 0.12 5.99 2.09 40 C H H 29.83 15.19 22.21 36.90 94.11 59.73 -65.05 -38.80 19.71 2.86 77.43 14.11 2.79 4.13 74.80 1.66 0.02 1.94 0.54 41 A H H 29.94 9.64 25.23 35.77 92.52 54.48 -64.47 -40.72 3.46 0.39 96.15 1.73 0.51 1.43 95.02 0.93 0.02 0.30 0.06 42 A H H 4.64 22.94 21.74 44.09 92.19 50.93 -64.20 -42.70 1.43 0.11 98.46 0.55 0.18 0.72 97.74 0.70 0.01 0.09 0.01 43 L H H 13.58 22.04 22.56 43.55 91.83 50.39 -63.59 -42.09 0.80 0.03 99.16 0.22 0.08 0.45 98.72 0.49 0.00 0.03 0.00 44 E H H 88.50 7.15 26.66 34.28 91.77 50.83 -64.54 -40.77 0.86 0.02 99.12 0.17 0.07 0.56 98.52 0.66 0.00 0.01 0.00 45 S H H 21.55 13.58 22.29 36.24 92.13 50.93 -65.17 -39.90 1.92 0.02 98.06 0.23 0.13 1.46 96.60 1.54 0.01 0.01 0.00 46 L H H 4.71 25.49 17.28 42.82 91.85 52.09 -66.99 -33.96 3.72 0.02 96.26 0.30 0.24 3.12 93.50 2.81 0.01 0.01 0.01 47 I H H 68.09 14.28 20.22 33.88 91.49 58.65 -69.12 -24.26 21.69 0.08 78.22 0.97 1.15 19.63 75.58 2.54 0.05 0.03 0.05 48 N C T 110.13 2.97 22.12 25.24 95.08 54.56 -91.32 0.05 61.01 0.24 38.75 4.44 3.47 51.12 38.02 2.68 0.02 0.10 0.16 49 V C C 24.58 20.54 9.51 29.09 113.32 110.91 -83.30 124.58 89.37 2.79 7.84 56.59 25.85 6.47 6.21 1.80 0.00 0.93 2.15 50 S C T 82.33 2.69 18.06 21.55 116.21 -148.08 -89.13 146.41 94.42 1.63 3.95 39.72 14.81 40.45 1.58 1.91 0.00 0.87 0.66 51 G C T 57.89 2.33 18.40 20.93 97.38 15.26 71.79 17.77 96.05 0.93 3.02 26.10 27.66 42.52 0.76 2.07 0.00 0.44 0.44 52 C C C 19.51 19.47 9.36 28.05 104.72 141.43 -92.85 76.59 94.36 0.83 4.81 85.60 7.16 1.82 3.37 1.12 0.00 0.28 0.65 53 S H H 74.16 2.45 21.01 23.21 94.39 154.84 -66.51 -37.48 17.26 0.12 82.63 7.48 4.33 5.85 80.33 1.91 0.01 0.04 0.06 54 A H H 31.81 11.00 19.06 30.93 92.42 53.91 -65.20 -39.50 8.02 0.06 91.92 1.97 1.23 4.88 89.88 1.97 0.02 0.03 0.02 55 I H H 6.50 23.93 14.74 38.69 92.28 49.63 -65.63 -41.17 3.57 0.05 96.37 1.33 0.45 1.81 94.61 1.75 0.00 0.03 0.01 56 E H H 87.11 8.50 21.42 30.24 91.76 52.91 -62.55 -41.81 1.12 0.01 98.87 0.42 0.14 0.49 98.41 0.53 0.00 0.01 0.00 57 K H H 113.60 2.87 24.16 26.26 91.84 49.74 -64.66 -41.00 1.05 0.01 98.94 0.31 0.10 0.54 98.75 0.29 0.00 0.01 0.00 58 T H H 10.68 19.50 18.40 38.03 92.19 49.68 -65.52 -42.08 0.77 0.01 99.23 0.19 0.07 0.40 99.15 0.19 0.00 0.00 0.00 59 Q H H 44.87 18.45 19.00 36.25 91.47 53.14 -62.09 -41.89 0.47 0.00 99.53 0.09 0.03 0.26 99.44 0.17 0.00 0.00 0.00 60 R H H 147.50 2.27 24.16 25.78 91.80 51.15 -64.44 -40.46 0.74 0.00 99.26 0.09 0.04 0.51 99.03 0.32 0.00 0.00 0.00 61 M H H 65.13 10.29 21.27 31.84 92.19 49.62 -66.38 -39.79 1.62 0.00 98.38 0.14 0.09 1.25 97.95 0.56 0.00 0.00 0.00 62 L H H 5.68 24.63 15.54 40.13 92.57 50.44 -68.89 -34.82 4.26 0.01 95.73 0.38 0.31 3.40 94.31 1.58 0.01 0.01 0.00 63 S H H 51.89 12.07 18.83 30.72 92.01 65.35 -64.03 -32.51 15.79 0.05 84.16 0.97 0.84 13.56 73.66 10.87 0.04 0.03 0.03 64 G H H 46.78 3.53 21.91 25.53 92.20 57.35 -71.77 -20.19 35.37 0.06 64.57 1.03 1.42 32.71 54.73 9.99 0.03 0.03 0.05 65 F H H 54.84 15.96 17.40 32.90 98.07 48.18 -89.11 -17.43 45.98 0.27 53.75 2.96 5.14 36.85 44.32 10.26 0.12 0.12 0.24 66 C C S 18.95 19.68 12.76 31.92 112.93 65.92 -107.71 113.18 88.79 2.04 9.17 37.54 45.23 5.80 7.20 1.91 0.01 0.59 1.72 67 P C C 78.40 6.43 17.47 24.88 101.11 -157.77 -70.53 -10.04 80.31 1.63 18.06 41.77 14.14 24.59 7.66 10.12 0.00 0.81 0.89 68 H C C 111.27 7.42 14.36 22.81 108.11 75.51 -90.31 92.03 73.96 2.73 23.31 29.56 20.43 25.13 9.63 12.48 0.04 1.30 1.44 69 K C C 122.78 6.74 15.21 23.15 110.87 -117.10 -88.48 115.46 72.64 3.95 23.41 47.05 15.92 9.56 12.44 11.03 0.01 2.03 1.97 70 V C C 65.17 12.54 11.35 23.92 112.56 -156.24 -91.85 124.65 72.31 4.87 22.82 52.14 10.18 9.40 14.11 9.19 0.01 2.73 2.24 71 S C C 71.20 5.11 14.54 20.86 110.88 -152.20 -91.18 122.98 77.13 3.76 19.10 51.49 11.21 14.17 10.33 8.88 0.01 2.00 1.90 72 A C T 71.98 6.33 12.95 20.51 106.62 -126.28 -83.33 83.38 82.85 1.78 15.36 28.02 19.78 36.16 5.82 8.40 0.01 0.86 0.95 73 G C T 45.85 5.90 14.28 21.43 110.28 36.37 98.49 8.66 89.63 1.88 8.49 28.67 25.00 36.63 2.03 5.90 0.00 1.01 0.77 74 Q C C 108.30 6.40 14.01 21.77 113.60 94.33 -94.47 126.15 87.00 7.87 5.12 60.33 18.83 7.73 1.68 3.55 0.00 4.46 3.41 75 F C C 92.76 11.49 12.21 24.23 117.03 -156.42 -97.44 134.19 85.35 10.36 4.29 71.10 10.44 3.28 2.29 2.13 0.00 6.59 4.16 76 S C C 60.04 7.83 14.65 23.48 111.06 -138.79 -87.14 126.44 81.94 8.72 9.34 66.11 9.68 5.77 4.25 5.18 0.00 5.79 3.22 77 S C C 61.54 9.16 13.14 22.97 103.05 -147.68 -82.77 -5.13 66.13 4.03 29.83 38.02 17.17 12.04 10.76 18.20 0.02 2.34 1.46 78 L C C 92.87 7.55 13.94 22.49 100.50 88.53 -78.65 -6.74 59.36 4.94 35.69 31.85 16.17 12.58 13.72 21.06 0.04 3.10 1.48 79 H C C 114.00 6.72 15.02 22.77 103.12 59.85 -86.91 11.90 58.84 7.64 33.52 37.46 12.32 9.56 15.48 17.98 0.05 4.82 2.34 80 V C C 60.85 12.56 13.20 25.99 110.10 75.26 -96.34 109.79 74.77 5.52 19.71 57.29 12.67 4.83 14.47 5.59 0.01 3.38 1.76 81 R C C 126.00 8.04 16.70 25.53 109.96 -153.53 -88.01 115.56 80.80 4.26 14.94 68.67 7.20 4.44 12.70 2.93 0.00 2.55 1.51 82 D C C 58.53 12.38 15.47 28.08 107.97 -139.10 -89.49 100.50 83.83 2.87 13.30 70.09 8.54 4.35 12.24 2.09 0.00 1.39 1.31 83 T C C 41.92 12.65 16.75 29.71 110.15 172.16 -81.83 -24.17 64.67 1.70 33.63 49.69 10.15 3.58 33.96 1.28 0.00 0.61 0.72 84 K H H 101.61 10.82 17.23 28.12 94.16 -98.31 -63.58 -37.29 6.19 0.09 93.72 2.70 1.38 2.32 92.87 0.64 0.01 0.04 0.03 85 I H H 86.38 4.88 20.87 25.92 93.17 51.81 -66.26 -41.90 2.70 0.08 97.22 1.11 0.39 1.20 96.66 0.58 0.00 0.05 0.01 86 E H H 54.06 11.45 19.88 31.89 92.40 50.03 -65.60 -41.39 1.67 0.07 98.26 0.83 0.20 0.70 97.65 0.56 0.00 0.05 0.01 87 V H H 12.60 20.80 18.09 38.60 92.07 50.77 -64.22 -42.70 0.71 0.01 99.28 0.28 0.08 0.31 99.12 0.19 0.00 0.01 0.00 88 A H H 33.41 10.38 21.47 32.45 91.84 51.82 -63.52 -41.54 0.27 0.00 99.72 0.09 0.02 0.13 99.70 0.07 0.00 0.00 0.00 89 Q H H 85.64 4.43 24.50 28.78 91.83 50.41 -64.60 -41.87 0.25 0.00 99.74 0.06 0.02 0.14 99.73 0.05 0.00 0.00 0.00 90 F H H 21.74 17.83 20.50 38.30 92.04 50.10 -63.95 -43.48 0.18 0.00 99.82 0.04 0.01 0.10 99.81 0.04 0.00 0.00 0.00 91 V H H 17.98 20.13 20.16 39.83 91.68 50.03 -63.49 -42.45 0.11 0.00 99.89 0.02 0.00 0.06 99.89 0.03 0.00 0.00 0.00 92 K H H 105.14 5.32 23.80 29.27 91.60 50.49 -63.81 -41.74 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 93 D H H 65.04 6.85 23.49 30.63 91.94 48.09 -66.39 -40.54 0.52 0.00 99.48 0.04 0.02 0.39 99.49 0.06 0.00 0.00 0.00 94 L H H 12.42 20.81 19.00 39.63 92.17 50.28 -64.91 -42.45 0.60 0.00 99.40 0.04 0.02 0.45 99.40 0.08 0.00 0.00 0.00 95 L H H 42.88 14.13 20.78 34.88 91.73 51.04 -63.60 -41.56 0.47 0.00 99.53 0.05 0.03 0.32 99.43 0.16 0.00 0.00 0.00 96 L H H 84.94 3.36 23.78 26.54 91.71 50.46 -64.16 -41.77 0.54 0.00 99.46 0.06 0.04 0.40 99.25 0.25 0.00 0.00 0.00 97 H H H 49.20 11.53 20.55 32.80 92.17 49.66 -65.12 -42.00 0.53 0.00 99.46 0.07 0.04 0.38 99.19 0.32 0.00 0.00 0.00 98 L H H 20.58 18.25 17.67 36.08 92.07 50.81 -64.02 -42.22 0.57 0.00 99.43 0.07 0.04 0.38 99.09 0.42 0.00 0.00 0.00 99 K H H 89.23 6.58 20.33 27.38 91.72 51.38 -63.86 -40.58 1.11 0.01 98.88 0.12 0.07 0.83 98.41 0.57 0.00 0.00 0.00 100 K H H 94.44 3.79 19.65 23.70 91.73 50.38 -65.33 -40.33 2.58 0.03 97.39 0.30 0.22 1.98 96.60 0.86 0.01 0.01 0.01 101 L H H 34.60 12.38 14.50 28.16 92.17 50.45 -65.40 -41.20 4.53 0.11 95.36 0.76 0.55 3.24 94.29 1.04 0.03 0.06 0.03 102 F H H 86.63 10.00 14.54 25.34 93.56 45.95 -70.51 -37.63 11.43 0.25 88.32 1.75 1.52 8.47 85.85 2.06 0.11 0.14 0.10 103 R H H 155.06 2.35 14.96 17.49 96.37 43.29 -77.15 -31.73 23.54 0.27 76.19 2.40 2.79 18.62 73.65 2.15 0.13 0.12 0.14 104 E H H 124.95 2.44 13.60 16.56 100.62 31.10 -99.58 -3.55 38.74 0.57 60.68 5.75 8.37 25.70 57.64 1.84 0.14 0.20 0.36 105 G C C 44.56 5.58 11.33 18.53 101.02 -122.90 76.40 12.60 95.10 1.64 3.26 40.38 33.58 21.61 1.29 1.67 0.00 0.89 0.58 106 Q C C 115.55 3.52 12.71 17.82 114.18 118.18 -98.77 124.10 91.63 5.77 2.60 67.98 16.39 7.16 0.91 1.70 0.00 3.94 1.92 107 F C C 98.74 10.86 8.66 19.84 110.76 -164.75 -97.53 105.95 92.08 6.40 1.52 86.62 2.54 3.29 0.55 0.69 0.00 4.16 2.14 108 N C C 115.49 3.20 14.75 19.18 104.88 -157.64 -85.29 63.30 99.94 0.05 0.01 99.77 0.13 0.07 0.00 0.00 0.00 0.02 0.01