# 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 81.97 6.85 17.31 25.13 115.65 169.93 -103.95 136.79 99.95 0.05 0.00 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.00 1 G C C 46.28 5.78 17.03 23.63 107.50 -93.49 87.07 2.97 97.58 1.63 0.80 93.71 1.04 3.21 0.24 0.32 0.00 0.85 0.63 2 L C C 48.91 18.65 9.80 26.60 112.87 125.17 -90.72 123.19 95.33 2.88 1.79 81.56 9.05 4.68 0.62 1.04 0.00 1.54 1.50 3 T C C 89.98 3.82 16.35 21.42 121.58 -168.07 -111.47 148.95 94.84 2.52 2.64 63.53 19.25 12.19 1.04 1.46 0.00 1.38 1.17 4 G C S 45.62 4.23 17.25 22.24 119.19 23.69 92.61 -162.57 95.63 1.32 3.04 15.58 68.73 12.01 1.29 1.14 0.00 0.63 0.62 5 N C C 88.64 5.05 19.67 25.03 108.19 -11.54 -92.32 99.17 92.68 1.88 5.45 71.38 17.61 3.25 4.45 1.19 0.00 0.61 1.51 6 F H H 26.41 22.35 13.25 34.97 93.79 -153.22 -63.06 -38.01 5.71 0.04 94.25 2.32 1.34 2.04 93.61 0.66 0.00 0.01 0.02 7 R H H 101.54 13.10 19.97 32.42 91.49 54.03 -62.43 -42.10 2.09 0.01 97.90 0.46 0.26 1.18 97.56 0.54 0.00 0.00 0.00 8 E H H 110.41 2.66 25.01 26.72 91.84 48.08 -65.49 -40.90 0.83 0.00 99.16 0.24 0.09 0.42 98.83 0.42 0.00 0.00 0.00 9 D H H 23.53 15.30 20.32 35.80 91.91 50.07 -64.70 -41.67 0.36 0.00 99.64 0.13 0.03 0.14 99.56 0.14 0.00 0.00 0.00 10 T H H 3.32 25.27 19.18 44.44 92.16 49.72 -64.58 -42.18 0.25 0.00 99.75 0.05 0.01 0.12 99.76 0.05 0.00 0.00 0.00 11 L H H 62.41 10.73 24.86 35.59 91.57 50.77 -63.77 -41.48 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.03 0.00 0.00 0.00 12 A H H 45.98 5.48 26.73 32.79 91.71 50.68 -64.15 -42.29 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.03 0.00 0.00 0.00 13 L H H 5.19 23.71 22.24 45.46 91.87 49.23 -64.51 -43.65 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 14 I H H 11.46 22.21 22.63 44.08 91.10 50.18 -62.95 -43.34 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 15 S H H 57.26 4.16 27.75 32.05 91.47 50.36 -63.69 -41.56 0.13 0.00 99.87 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 16 S H H 21.70 12.85 23.71 37.00 91.68 49.40 -65.01 -41.56 0.22 0.00 99.78 0.01 0.01 0.14 99.82 0.02 0.00 0.00 0.00 17 L H H 1.53 27.43 19.15 47.23 91.30 50.52 -63.83 -42.80 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 18 R H H 93.17 13.28 24.50 36.81 91.21 51.06 -62.24 -42.19 0.17 0.00 99.83 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 19 E H H 99.73 3.59 27.44 30.84 91.70 49.65 -64.40 -41.51 0.28 0.00 99.72 0.02 0.01 0.20 99.61 0.16 0.00 0.00 0.00 20 A H H 4.74 21.50 19.04 40.78 91.50 50.01 -64.44 -41.67 0.59 0.00 99.41 0.03 0.03 0.49 98.86 0.60 0.00 0.00 0.00 21 I H H 15.60 22.31 18.71 40.60 91.41 51.74 -68.10 -29.62 7.28 0.00 92.72 0.10 0.18 7.42 91.31 0.98 0.00 0.00 0.00 22 A H H 73.73 3.81 23.52 27.84 93.05 55.64 -85.29 -7.82 39.72 0.01 60.26 0.58 1.19 37.54 59.49 1.17 0.01 0.00 0.01 23 L C S 28.84 17.09 10.33 27.75 117.26 111.67 -71.59 144.48 99.74 0.09 0.17 15.32 83.98 0.44 0.14 0.02 0.00 0.02 0.08 24 P C C 70.94 3.45 18.63 22.26 114.50 -102.03 -64.03 149.13 99.48 0.25 0.27 98.46 0.74 0.30 0.08 0.10 0.00 0.06 0.26 25 E C T 126.10 7.92 11.47 20.84 91.79 -111.83 -60.27 -28.86 99.60 0.06 0.34 1.30 5.95 92.37 0.03 0.28 0.00 0.03 0.04 26 N C T 136.25 0.73 15.99 15.11 94.71 52.30 -87.06 5.21 99.72 0.03 0.25 1.30 5.15 93.26 0.02 0.25 0.00 0.02 0.01 27 D C C 34.72 12.38 7.90 21.34 115.36 124.38 -71.60 138.54 99.68 0.24 0.08 58.59 40.91 0.12 0.03 0.03 0.00 0.04 0.27 28 P C T 117.43 1.05 15.57 15.94 91.45 -124.76 -61.70 -26.50 97.62 0.04 2.35 0.87 3.29 94.07 0.85 0.88 0.00 0.01 0.03 29 N C T 85.02 6.14 13.54 21.23 96.74 49.88 -95.60 10.50 97.39 0.02 2.59 3.66 2.18 92.19 1.26 0.68 0.00 0.01 0.02 30 K H H 52.03 17.63 10.76 27.69 92.69 112.87 -59.84 -41.77 5.12 0.02 94.86 2.92 0.80 1.40 93.47 1.40 0.00 0.00 0.01 31 K H H 141.75 2.20 19.87 22.30 91.24 52.59 -63.33 -40.78 1.38 0.00 98.62 0.52 0.11 0.59 98.01 0.76 0.00 0.00 0.00 32 A H H 63.05 2.16 22.62 23.12 91.90 48.95 -65.36 -40.65 0.85 0.00 99.15 0.32 0.07 0.38 98.48 0.75 0.00 0.00 0.00 33 A H H 8.58 17.54 16.01 34.41 91.81 49.82 -64.47 -42.49 0.50 0.00 99.50 0.19 0.04 0.20 99.27 0.29 0.00 0.00 0.00 34 Q H H 41.38 17.70 19.09 35.92 91.69 51.46 -62.64 -42.32 0.31 0.00 99.69 0.08 0.02 0.13 99.71 0.06 0.00 0.00 0.00 35 A H H 55.76 2.71 24.93 26.48 91.28 50.36 -63.24 -42.58 0.19 0.00 99.81 0.03 0.01 0.09 99.83 0.03 0.00 0.00 0.00 36 E H H 84.31 5.35 24.54 30.01 91.67 48.76 -65.02 -41.24 0.17 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 37 A H H 2.53 24.28 16.26 41.06 91.25 50.39 -63.70 -43.07 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 38 R H H 91.13 13.40 22.49 35.03 91.40 51.41 -62.35 -41.55 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 39 K H H 124.88 1.77 25.93 25.91 91.61 49.81 -63.89 -42.01 0.36 0.00 99.64 0.04 0.01 0.24 99.67 0.04 0.00 0.00 0.00 40 K H H 65.66 11.43 22.46 33.88 91.71 48.36 -64.95 -41.44 0.40 0.00 99.60 0.05 0.02 0.25 99.64 0.04 0.00 0.00 0.00 41 L H H 5.93 24.53 16.53 41.15 91.27 50.27 -63.55 -42.72 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 42 N H H 76.34 7.14 23.29 30.74 91.45 50.82 -63.79 -40.87 0.18 0.00 99.82 0.02 0.00 0.11 99.79 0.07 0.00 0.00 0.00 43 D H H 80.03 2.84 24.80 26.63 91.79 49.68 -65.24 -40.96 0.28 0.00 99.72 0.02 0.01 0.20 99.64 0.13 0.00 0.00 0.00 44 F H H 19.87 18.25 19.23 37.58 91.76 49.69 -64.16 -43.27 0.66 0.00 99.34 0.04 0.03 0.52 99.13 0.29 0.00 0.00 0.00 45 F H H 36.91 18.33 18.89 36.67 91.49 50.19 -63.62 -40.84 1.35 0.00 98.65 0.08 0.07 1.09 97.85 0.90 0.00 0.00 0.00 46 A H H 59.42 3.19 22.85 25.49 91.33 52.71 -64.35 -38.33 6.32 0.00 93.67 0.21 0.24 5.95 88.89 4.71 0.00 0.00 0.00 47 L H H 72.08 7.70 20.76 29.00 92.50 50.72 -69.62 -33.09 19.53 0.02 80.45 0.67 0.95 18.09 73.77 6.47 0.02 0.01 0.02 48 Y H H 23.99 20.76 14.46 34.76 97.41 51.02 -81.59 -23.12 36.03 0.48 63.49 7.89 6.37 22.78 52.34 9.93 0.13 0.20 0.37 49 R C C 100.10 11.75 16.85 28.64 101.11 71.16 -73.03 6.26 64.01 1.83 34.16 31.80 9.79 23.20 24.49 8.63 0.04 0.78 1.27 50 R C C 155.04 3.97 17.69 22.27 97.10 61.66 -79.78 -2.49 75.45 1.32 23.23 34.34 13.50 28.43 13.37 8.83 0.01 0.54 0.97 51 D C C 54.88 10.50 10.92 22.69 111.10 105.39 -90.84 114.46 91.89 0.99 7.12 67.29 18.76 5.53 4.43 2.61 0.00 0.31 1.07 52 D C T 115.30 2.32 14.47 18.26 93.41 -155.64 -66.85 -23.63 58.86 0.22 40.91 5.56 9.40 42.78 20.24 21.62 0.03 0.09 0.28 53 S C T 71.67 3.28 16.15 20.20 92.88 64.71 -71.61 -23.32 57.51 0.23 42.26 3.76 6.85 44.90 21.09 22.98 0.03 0.10 0.28 54 L H G 18.53 19.64 9.70 28.44 95.74 52.26 -82.87 -19.54 46.03 0.90 53.07 7.11 7.98 29.06 22.55 32.05 0.10 0.45 0.69 55 R C T 129.67 9.06 14.41 24.42 92.84 75.97 -64.89 -27.12 59.95 0.32 39.73 4.30 4.41 49.99 19.15 21.67 0.01 0.18 0.29 56 S C T 93.60 1.02 18.03 17.55 94.72 52.06 -87.90 -0.45 73.68 0.17 26.15 5.27 5.86 62.64 7.66 18.33 0.00 0.09 0.15 57 L C C 43.11 14.98 9.69 24.85 116.08 110.03 -81.03 136.95 94.77 0.79 4.44 62.21 30.84 1.50 3.57 0.78 0.00 0.15 0.95 58 S H H 78.54 2.49 20.15 22.73 93.86 -137.32 -64.30 -33.40 45.09 0.15 54.77 5.61 7.21 31.17 51.77 4.03 0.04 0.05 0.12 59 S H H 21.59 16.34 16.72 32.90 93.48 56.73 -68.48 -33.16 38.48 0.13 61.39 5.86 3.92 27.63 59.18 3.23 0.02 0.05 0.10 60 F H H 25.77 20.43 15.97 35.94 92.21 58.68 -63.60 -40.47 4.68 0.02 95.30 1.70 0.66 2.20 93.90 1.52 0.00 0.01 0.01 61 M H H 98.54 4.42 23.91 28.41 91.78 53.08 -64.18 -40.56 1.00 0.00 99.00 0.40 0.10 0.41 98.80 0.29 0.00 0.00 0.00 62 T H H 51.44 8.27 23.59 32.30 91.80 49.53 -65.14 -41.66 0.36 0.00 99.64 0.10 0.03 0.17 99.55 0.15 0.00 0.00 0.00 63 M H H 4.88 24.99 18.51 43.55 91.68 49.83 -65.14 -42.31 0.16 0.00 99.84 0.03 0.01 0.08 99.82 0.05 0.00 0.00 0.00 64 Q H H 58.14 15.26 23.14 37.24 91.44 51.40 -62.68 -42.46 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 65 T H H 70.51 3.17 27.31 29.86 91.50 49.68 -63.74 -41.98 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 A H H 10.33 17.46 21.87 39.49 91.37 49.92 -63.72 -43.14 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 67 L H H 5.80 24.54 20.53 44.65 91.16 49.71 -63.63 -42.36 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 68 N H H 80.38 6.67 26.03 33.28 91.45 50.76 -63.79 -40.54 0.18 0.00 99.82 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 69 S H H 42.49 6.75 25.00 32.33 91.72 50.54 -65.07 -41.40 0.56 0.00 99.44 0.02 0.01 0.48 99.41 0.08 0.00 0.00 0.00 70 L H H 7.97 22.75 19.96 42.36 91.67 49.76 -64.36 -42.08 0.85 0.00 99.15 0.04 0.03 0.70 99.10 0.13 0.00 0.00 0.00 71 A H H 23.24 15.39 21.26 36.53 91.24 52.07 -62.38 -41.57 0.69 0.00 99.31 0.05 0.04 0.50 99.15 0.27 0.00 0.00 0.00 72 G H H 35.71 2.85 24.54 26.44 91.53 51.07 -64.08 -40.90 1.27 0.00 98.73 0.08 0.07 1.02 98.24 0.60 0.00 0.00 0.00 73 H H H 43.54 11.53 18.96 31.56 92.36 50.38 -65.49 -40.97 1.36 0.00 98.64 0.08 0.08 1.12 97.93 0.78 0.00 0.00 0.00 74 Y H H 38.86 18.61 14.21 32.34 92.07 50.86 -65.87 -38.93 2.72 0.00 97.28 0.18 0.20 2.25 96.39 0.97 0.01 0.00 0.00 75 S H H 73.29 3.88 17.91 22.70 93.21 49.22 -70.66 -31.65 11.13 0.01 88.86 0.27 0.53 10.40 87.86 0.93 0.01 0.00 0.01 76 S H H 82.02 1.67 16.96 18.03 97.77 40.39 -88.22 -22.28 23.67 0.04 76.30 0.73 2.29 20.27 75.87 0.77 0.03 0.01 0.03 77 Y C C 84.74 9.26 11.28 21.96 111.78 28.69 -130.72 81.17 98.47 0.33 1.20 58.59 37.44 2.32 0.90 0.28 0.00 0.07 0.40 78 P C T 85.65 7.12 11.81 20.80 94.95 169.34 -66.33 -21.98 98.94 0.13 0.93 25.68 13.35 59.75 0.10 0.97 0.00 0.07 0.07 79 N C T 128.33 1.51 15.70 17.13 96.77 54.31 -92.09 1.96 98.80 0.23 0.97 15.19 22.36 61.04 0.08 1.11 0.00 0.13 0.10 80 R C S 93.49 9.67 12.60 23.60 120.07 97.21 -93.73 140.45 98.54 1.16 0.30 34.17 63.70 0.87 0.08 0.17 0.00 0.42 0.61 81 P C C 82.34 5.49 19.51 25.67 114.65 -105.99 -68.42 148.14 98.13 1.72 0.14 92.70 5.04 0.35 0.06 0.06 0.00 0.57 1.22 82 L C C 22.59 22.66 10.51 32.32 114.82 -112.61 -76.24 136.60 98.87 0.89 0.24 93.19 5.60 0.11 0.22 0.03 0.00 0.27 0.58 83 P C C 45.37 8.01 16.58 26.39 113.68 -105.02 -64.37 148.23 99.63 0.13 0.24 99.50 0.18 0.06 0.16 0.01 0.00 0.04 0.05 84 E H H 145.67 2.13 15.43 18.65 91.41 -115.74 -59.22 -37.26 2.88 0.00 97.12 0.59 0.42 1.56 96.61 0.81 0.00 0.00 0.00 85 K H H 137.62 1.65 17.98 19.11 91.53 55.13 -64.49 -38.68 1.96 0.01 98.03 0.31 0.18 1.31 97.13 1.07 0.00 0.00 0.00 86 L H H 16.94 18.08 13.50 31.90 92.06 48.77 -66.35 -40.68 0.76 0.00 99.23 0.15 0.06 0.44 98.38 0.96 0.00 0.00 0.00 87 K H H 70.48 14.42 16.51 30.63 91.40 53.89 -61.50 -42.44 0.48 0.00 99.52 0.10 0.04 0.23 99.43 0.19 0.00 0.00 0.00 88 A H H 62.17 1.83 22.79 22.53 91.51 50.01 -63.99 -41.37 0.79 0.00 99.21 0.12 0.04 0.42 99.33 0.09 0.00 0.00 0.00 89 R H H 93.98 7.19 21.12 28.86 91.80 49.51 -64.86 -41.61 0.42 0.00 99.57 0.07 0.03 0.22 99.62 0.06 0.00 0.00 0.00 90 L H H 5.57 23.80 15.08 39.09 91.49 49.70 -64.32 -42.98 0.25 0.00 99.75 0.04 0.01 0.13 99.76 0.06 0.00 0.00 0.00 91 E H H 83.32 8.93 21.68 30.90 91.32 51.21 -63.10 -41.35 0.24 0.00 99.75 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 92 Q H H 100.47 1.96 24.25 24.15 91.68 49.77 -64.40 -41.83 0.31 0.00 99.69 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 93 E H H 35.69 13.65 19.95 34.13 91.88 49.26 -64.95 -41.82 0.31 0.00 99.69 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 94 F H H 18.92 20.98 17.47 38.16 91.71 50.67 -63.38 -42.01 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 95 K H H 118.18 3.18 23.99 27.02 91.55 50.65 -63.55 -41.00 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 96 Q H H 90.06 4.23 23.54 27.62 91.70 49.68 -64.72 -41.63 0.16 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 97 V H H 8.71 20.60 17.39 38.35 91.83 49.84 -64.26 -42.84 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 98 E H H 71.17 11.77 21.43 33.04 91.57 51.21 -62.59 -42.10 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 99 L H H 86.65 2.36 23.74 24.61 91.65 50.12 -63.77 -42.37 0.38 0.00 99.62 0.04 0.02 0.23 99.63 0.08 0.00 0.00 0.00 100 A H H 22.06 10.03 18.90 30.68 91.75 50.32 -64.41 -41.96 0.81 0.00 99.19 0.09 0.05 0.53 99.17 0.16 0.00 0.00 0.00 101 L H H 22.73 17.40 16.00 33.64 92.03 50.00 -64.95 -41.33 1.93 0.01 98.06 0.33 0.18 1.19 97.92 0.37 0.00 0.00 0.00 102 D H H 81.18 4.10 19.41 23.88 92.24 50.95 -65.05 -39.77 5.01 0.02 94.96 1.09 0.51 3.05 94.65 0.69 0.00 0.01 0.01 103 R H H 135.20 2.50 17.41 19.87 92.92 51.56 -66.10 -39.37 9.85 0.04 90.11 1.99 1.20 6.31 89.17 1.28 0.01 0.02 0.02 104 E H H 85.95 7.65 13.50 22.48 93.16 51.44 -69.14 -32.88 18.49 0.09 81.42 4.59 2.32 11.27 79.93 1.79 0.01 0.03 0.05 105 A H H 56.52 8.00 11.02 20.21 95.23 58.34 -71.56 -25.80 36.39 0.36 63.24 11.92 5.32 19.76 60.37 2.25 0.02 0.14 0.22 106 K C H 153.65 1.65 11.89 14.27 98.72 58.59 -81.25 -9.79 64.55 0.34 35.11 35.91 1.67 24.55 35.97 1.55 0.00 0.13 0.21 107 S C C 78.91 3.53 11.38 16.54 106.17 91.32 -81.64 67.23 99.96 0.01 0.03 99.82 0.06 0.09 0.02 0.00 0.00 0.00 0.00