# 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 98.86 7.37 13.14 21.71 119.08 -146.47 -97.31 140.83 99.96 0.03 0.01 99.70 0.26 0.02 0.00 0.00 0.00 0.01 0.01 1 P C C 72.59 6.37 11.33 19.40 115.74 -103.01 -66.68 150.38 97.98 0.06 1.96 97.17 0.32 0.92 1.30 0.23 0.00 0.02 0.04 2 P C C 83.04 5.85 10.37 17.88 109.77 -101.38 -66.37 148.20 78.97 0.45 20.57 62.96 5.54 11.07 13.44 6.47 0.00 0.20 0.33 3 K C C 147.10 3.23 10.91 15.79 105.92 -114.80 -78.02 102.16 62.44 1.97 35.59 41.34 10.27 11.01 24.18 11.20 0.01 1.00 0.99 4 Q C C 117.26 4.36 10.89 16.78 109.92 69.72 -88.30 121.41 54.88 2.58 42.54 38.13 9.51 7.56 31.59 10.78 0.01 1.49 0.93 5 Q C C 117.77 4.43 11.87 17.93 109.94 -141.66 -85.78 118.64 55.67 2.16 42.17 43.34 6.73 5.84 35.61 6.50 0.00 1.22 0.75 6 L C C 81.62 9.18 10.14 20.25 112.08 -147.13 -88.49 135.10 57.73 1.27 41.01 44.55 7.63 4.76 39.17 2.83 0.00 0.60 0.45 7 S C C 58.82 4.02 14.57 19.49 115.30 -125.90 -80.54 157.89 56.25 0.72 43.02 45.23 5.55 3.85 43.26 1.55 0.00 0.28 0.28 8 K H H 132.37 4.38 13.74 19.55 94.41 -106.98 -63.72 -36.91 8.66 0.12 91.22 4.91 1.82 2.43 89.57 1.18 0.00 0.05 0.04 9 A H H 59.53 4.58 14.81 20.66 92.71 53.23 -65.32 -39.76 5.30 0.09 94.61 2.63 0.86 2.03 93.15 1.24 0.00 0.05 0.02 10 A H H 48.43 5.85 15.00 22.40 92.68 50.66 -66.00 -39.50 4.13 0.09 95.78 2.09 0.62 1.64 94.23 1.33 0.00 0.05 0.02 11 K H H 107.01 5.59 16.75 23.24 92.50 51.03 -65.71 -39.84 3.65 0.07 96.28 1.75 0.56 1.49 95.16 0.98 0.01 0.04 0.02 12 A H H 48.63 5.56 16.36 23.25 92.44 51.15 -65.29 -40.06 4.25 0.09 95.67 1.83 0.57 1.88 94.62 1.02 0.01 0.05 0.02 13 A H H 53.03 5.02 16.88 22.92 92.75 51.28 -65.43 -39.61 6.41 0.11 93.48 2.58 0.88 3.05 91.86 1.53 0.01 0.06 0.03 14 A H H 50.24 6.31 15.90 23.47 92.99 51.51 -66.17 -37.54 11.54 0.19 88.27 4.29 1.50 5.84 85.98 2.19 0.02 0.10 0.07 15 A H H 58.10 6.02 15.45 22.72 93.73 53.66 -68.48 -31.95 21.89 0.35 77.76 7.92 3.00 11.36 74.74 2.62 0.03 0.18 0.16 16 L H H 106.62 4.23 15.02 20.38 96.19 54.55 -75.90 -21.34 38.87 0.88 60.25 15.05 6.60 18.54 56.09 2.83 0.05 0.38 0.45 17 A C H 67.33 5.49 12.41 19.33 105.02 79.03 -79.93 30.39 60.97 1.12 37.91 20.69 13.13 27.53 34.44 3.12 0.04 0.43 0.60 18 G C T 49.78 4.24 12.95 18.49 107.16 20.68 52.67 2.31 80.58 0.97 18.45 31.28 17.95 31.82 13.72 4.24 0.01 0.40 0.58 19 G C C 43.99 5.35 11.43 18.31 113.14 84.59 53.85 168.95 83.55 1.36 15.09 45.80 20.62 17.36 8.35 6.41 0.00 0.58 0.89 20 K C C 142.97 3.21 11.80 16.43 107.13 -70.33 -85.22 96.32 78.20 1.99 19.81 46.36 18.46 13.40 10.47 9.19 0.00 0.85 1.27 21 K C C 135.04 3.83 10.49 16.02 108.27 59.38 -82.84 113.65 74.78 1.60 23.62 41.82 18.40 14.72 10.71 12.65 0.01 0.71 0.98 22 S C C 73.83 4.37 10.20 16.20 109.22 -130.67 -84.96 114.23 75.32 1.53 23.16 45.40 16.20 13.67 10.23 12.90 0.00 0.70 0.89 23 K C C 143.56 3.28 10.18 15.11 105.93 -141.24 -85.83 67.84 76.19 1.83 21.98 50.80 14.07 11.05 10.70 11.47 0.00 0.85 1.07 24 K C C 132.82 3.97 10.22 15.99 110.60 92.92 -86.71 123.79 80.22 1.93 17.85 55.00 14.79 10.30 9.51 8.43 0.00 0.95 1.02 25 K C C 149.77 2.40 11.55 15.37 110.30 -135.04 -88.87 117.02 81.08 3.33 15.58 57.17 13.77 9.80 8.99 6.89 0.00 1.78 1.60 26 W C C 115.87 10.35 7.97 18.79 115.52 -141.47 -92.49 135.61 82.86 4.13 13.01 60.60 15.11 6.63 9.53 3.88 0.00 1.98 2.27 27 S C C 61.23 3.22 13.20 17.36 119.38 -138.95 -88.57 158.43 86.97 2.45 10.57 72.41 8.89 5.14 8.58 2.49 0.00 1.25 1.24 28 K H H 146.44 3.36 10.98 16.18 94.45 -111.14 -63.41 -34.02 44.89 0.82 54.28 15.70 12.12 18.45 44.56 8.28 0.08 0.38 0.44 29 K H H 144.18 1.49 13.64 15.12 93.80 56.39 -67.87 -34.52 42.89 0.66 56.44 12.94 10.19 20.54 47.49 8.11 0.07 0.31 0.35 30 S H H 48.98 5.44 13.11 20.19 96.73 52.19 -71.19 -35.26 38.23 1.23 60.54 23.08 6.64 9.85 51.82 7.45 0.03 0.64 0.50 31 M H H 60.82 11.39 11.86 24.03 95.63 56.48 -68.00 -38.70 18.06 0.56 81.38 12.40 3.17 4.03 76.31 3.60 0.01 0.30 0.17 32 K H H 112.76 4.38 16.46 21.81 93.66 54.26 -65.86 -40.15 11.05 0.44 88.51 6.36 1.88 3.81 83.38 4.16 0.01 0.29 0.11 33 D H H 79.13 3.70 18.20 22.05 93.20 50.84 -66.21 -39.00 9.88 0.39 89.73 5.42 1.54 3.72 84.14 4.79 0.01 0.28 0.10 34 R H H 91.75 11.18 16.81 28.24 92.91 51.67 -66.72 -37.62 8.57 0.28 91.15 3.84 1.31 3.86 84.58 6.13 0.02 0.19 0.08 35 A H H 29.54 14.59 15.24 30.05 92.27 54.93 -66.37 -33.10 11.08 0.26 88.66 3.58 1.51 6.04 79.90 8.67 0.03 0.17 0.09 36 Q H H 109.12 5.45 20.23 26.40 92.25 59.02 -71.33 -21.46 28.23 0.28 71.49 2.88 2.55 22.25 64.16 7.75 0.12 0.16 0.14 37 H C T 92.02 9.38 18.68 28.61 98.16 49.43 -96.56 3.23 54.09 0.64 45.28 6.16 5.68 41.05 39.66 6.66 0.10 0.33 0.37 38 A C C 30.62 16.15 16.30 32.48 117.83 110.61 -79.29 140.24 74.68 15.18 10.14 47.66 20.28 6.45 7.82 3.10 0.06 7.99 6.63 39 V C C 38.24 16.93 18.03 34.70 113.56 -138.54 -95.08 123.73 68.76 25.04 6.19 54.83 8.27 4.14 4.43 2.38 0.02 19.38 6.55 40 I C C 78.90 10.72 22.04 32.65 114.19 -160.80 -100.70 120.07 71.02 25.45 3.53 56.56 10.56 2.66 2.61 1.41 0.01 19.09 7.11 41 L C C 23.78 21.52 11.81 32.32 119.60 -144.09 -97.59 137.44 85.72 13.25 1.03 71.46 13.65 0.80 0.84 0.35 0.00 9.18 3.73 42 D C C 80.88 4.04 19.57 23.55 115.34 -116.05 -77.38 146.68 98.56 1.04 0.40 97.44 1.17 0.17 0.31 0.04 0.00 0.61 0.25 43 Q H H 115.44 5.86 13.38 21.07 92.55 -116.75 -60.19 -37.83 1.79 0.00 98.21 0.25 0.23 1.04 98.17 0.31 0.00 0.00 0.00 44 E H H 132.54 1.18 17.96 17.58 91.98 52.50 -64.90 -40.10 1.31 0.00 98.69 0.14 0.10 0.92 98.39 0.45 0.00 0.00 0.00 45 K H H 61.60 10.88 15.95 27.78 92.41 47.76 -66.95 -39.65 0.68 0.00 99.32 0.12 0.05 0.41 98.98 0.44 0.00 0.00 0.00 46 Y H H 26.49 19.49 13.56 32.90 91.36 52.49 -62.65 -42.47 0.24 0.00 99.76 0.05 0.02 0.12 99.76 0.06 0.00 0.00 0.00 47 D H H 74.54 3.81 20.88 24.76 91.24 50.96 -63.24 -41.08 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 48 R H H 111.33 3.76 21.56 25.09 91.55 50.63 -64.30 -41.91 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 49 I H H 8.19 21.65 15.85 37.74 91.86 49.82 -63.98 -42.53 0.16 0.00 99.84 0.01 0.01 0.12 99.80 0.07 0.00 0.00 0.00 50 L H H 48.24 15.84 17.30 32.77 91.53 52.39 -64.15 -37.99 0.58 0.00 99.42 0.03 0.02 0.50 99.10 0.35 0.00 0.00 0.00 51 K H H 145.61 1.42 21.71 21.60 92.46 50.76 -68.28 -36.04 5.31 0.00 94.68 0.06 0.11 5.54 93.73 0.55 0.00 0.00 0.00 52 E H H 81.81 8.66 18.47 27.65 95.26 44.02 -78.88 -32.55 11.03 0.01 88.96 0.16 0.62 10.57 88.18 0.45 0.02 0.00 0.01 53 V C C 9.90 21.45 11.60 32.87 105.15 35.47 -114.53 49.09 93.31 0.39 6.30 54.05 35.11 3.89 5.32 1.07 0.00 0.09 0.48 54 P C T 75.49 8.44 16.37 26.18 92.05 145.03 -65.06 -23.89 94.87 0.18 4.95 15.71 5.00 73.88 0.55 4.66 0.00 0.11 0.09 55 T C T 100.29 2.46 19.53 21.95 95.23 53.29 -91.99 -4.05 94.78 0.22 5.00 4.82 7.55 81.71 0.38 5.31 0.00 0.13 0.10 56 Y C C 51.71 18.39 10.94 28.69 115.85 106.03 -78.76 135.00 96.44 1.51 2.04 85.85 8.92 1.64 0.34 1.86 0.00 0.76 0.64 57 R C S 138.94 5.76 20.92 27.86 97.64 -164.77 -82.93 -29.19 97.25 2.32 0.43 20.64 74.18 2.67 0.05 0.39 0.00 1.69 0.37 58 Y E E 80.30 12.25 21.81 34.06 129.42 26.02 -134.42 138.30 30.79 68.36 0.85 13.51 16.62 3.29 0.21 0.67 0.03 62.14 3.53 59 V E E 8.61 23.83 18.80 42.59 122.21 -173.02 -122.54 128.93 18.89 80.91 0.20 15.87 2.38 0.14 0.16 0.09 0.00 69.30 12.06 60 S C C 21.54 12.18 26.78 39.60 126.51 -138.35 -98.73 163.46 68.49 31.39 0.12 69.52 0.89 0.05 0.11 0.02 0.00 28.16 1.25 61 V H H 14.16 23.25 19.18 42.38 91.59 -108.43 -60.15 -37.16 2.01 0.01 97.98 0.13 0.17 1.65 97.50 0.53 0.00 0.00 0.00 62 S H H 45.72 9.16 24.04 33.61 91.61 55.59 -63.12 -40.67 1.12 0.00 98.88 0.07 0.07 0.93 98.40 0.52 0.00 0.00 0.00 63 V H H 34.70 10.15 23.41 34.47 91.89 48.87 -65.10 -42.13 0.61 0.01 99.38 0.06 0.05 0.46 98.77 0.64 0.00 0.01 0.00 64 L H H 3.04 24.86 17.76 42.94 91.80 49.49 -64.14 -43.37 0.68 0.03 99.29 0.10 0.09 0.46 99.04 0.29 0.01 0.01 0.00 65 V H H 19.93 16.69 17.22 34.27 92.03 49.79 -64.06 -43.15 1.51 0.06 98.43 0.19 0.23 1.04 98.19 0.28 0.02 0.02 0.02 66 D H H 99.26 2.40 21.19 23.25 92.68 46.95 -66.04 -41.12 2.24 0.02 97.74 0.16 0.17 1.79 97.27 0.58 0.01 0.01 0.01 67 R H H 111.79 8.53 18.34 27.38 93.30 45.57 -70.09 -37.13 5.41 0.02 94.57 0.14 0.37 4.88 94.01 0.56 0.02 0.01 0.01 68 L H H 32.62 17.12 14.45 31.62 96.17 33.34 -95.98 -4.59 23.63 0.13 76.24 1.13 3.33 19.04 75.50 0.83 0.05 0.03 0.09 69 K C T 158.34 2.04 20.80 22.85 93.61 -126.70 57.60 41.46 99.55 0.07 0.39 24.32 5.04 70.30 0.19 0.10 0.00 0.04 0.02 70 I C C 28.64 19.21 11.73 30.48 122.98 145.12 -111.99 139.70 98.39 1.39 0.22 89.99 7.74 0.61 0.12 0.07 0.00 0.50 0.97 71 G C C 43.01 4.79 22.19 27.22 122.42 -129.25 -86.97 161.17 98.88 0.81 0.31 95.82 2.61 0.53 0.17 0.07 0.00 0.28 0.52 72 G C H 30.33 11.51 19.25 30.33 124.33 40.76 97.44 -158.77 57.26 0.72 42.02 11.92 34.48 9.43 42.18 1.31 0.03 0.16 0.49 73 S H H 61.99 6.09 23.57 29.93 93.42 -20.54 -65.39 -39.04 11.45 0.11 88.44 2.17 3.05 6.38 87.19 1.08 0.03 0.04 0.06 74 L H H 30.48 17.14 22.05 38.44 92.03 51.58 -64.98 -40.90 1.99 0.01 98.00 0.44 0.22 1.14 97.58 0.61 0.00 0.00 0.00 75 A H H 1.85 26.03 18.78 45.15 91.16 51.36 -63.47 -42.50 0.35 0.00 99.65 0.09 0.02 0.16 99.51 0.22 0.00 0.00 0.00 76 R H H 89.96 12.51 26.23 38.23 91.53 51.32 -63.31 -42.05 0.13 0.00 99.87 0.02 0.00 0.07 99.83 0.08 0.00 0.00 0.00 77 I H H 50.32 7.74 27.73 36.92 91.42 50.35 -64.01 -42.87 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 78 A H H 2.07 24.10 22.84 46.82 91.52 49.83 -63.55 -43.88 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 79 L H H 2.89 26.02 21.89 47.77 91.38 49.82 -64.19 -42.10 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 R H H 110.32 6.36 26.61 33.41 91.46 50.93 -63.01 -42.65 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 81 H H H 55.84 8.97 23.52 33.26 91.71 49.40 -64.59 -41.95 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 82 L H H 4.05 23.75 15.98 40.19 91.78 49.55 -64.13 -42.54 0.15 0.00 99.85 0.02 0.01 0.09 99.83 0.06 0.00 0.00 0.00 83 E H H 68.90 13.88 17.00 30.61 91.81 50.40 -63.24 -41.56 0.26 0.00 99.74 0.02 0.01 0.19 99.59 0.20 0.00 0.00 0.00 84 K H H 157.54 1.16 19.64 19.65 90.79 51.19 -64.61 -33.08 2.45 0.00 97.55 0.04 0.05 2.54 97.08 0.29 0.00 0.00 0.00 85 E C T 99.31 6.77 15.57 23.66 92.18 51.61 -85.22 -5.07 83.12 0.01 16.88 0.06 0.37 83.10 16.23 0.24 0.00 0.00 0.01 86 G C T 43.57 4.93 19.25 25.18 94.72 -113.27 81.59 13.36 99.91 0.00 0.09 0.10 0.57 99.29 0.03 0.01 0.00 0.00 0.00 87 I C S 24.27 17.44 16.83 34.95 95.61 119.33 -81.00 -26.54 99.70 0.29 0.01 6.50 92.76 0.55 0.00 0.00 0.00 0.17 0.02 88 I E E 3.15 25.94 13.73 40.77 132.31 29.38 -133.83 147.26 18.15 81.84 0.00 8.54 10.96 0.19 0.00 0.01 0.00 79.44 0.87 89 K E E 98.06 6.09 25.85 32.48 123.40 -158.60 -122.26 134.21 2.77 97.23 0.00 2.47 0.14 0.00 0.00 0.00 0.00 97.35 0.04 90 P E E 57.68 16.26 16.48 32.13 110.97 -113.15 -67.82 130.29 1.35 98.65 0.00 1.35 0.01 0.00 0.00 0.00 0.00 98.62 0.02 91 I E E 58.83 11.75 17.42 30.09 101.46 176.55 -97.43 -32.06 3.27 96.72 0.01 2.25 0.60 0.03 0.00 0.00 0.00 97.11 0.02 92 S E E 40.19 7.53 19.27 28.15 139.24 -3.27 -154.42 154.74 1.27 98.72 0.01 0.90 0.16 0.03 0.00 0.00 0.00 98.89 0.01 93 K E E 118.15 9.71 12.91 24.21 123.54 -156.23 -129.12 132.87 4.43 95.54 0.03 3.71 0.39 0.06 0.00 0.01 0.00 95.74 0.09 94 H E E 90.32 6.83 12.68 21.10 124.34 175.16 -127.62 136.02 41.04 58.85 0.11 37.04 2.44 0.29 0.02 0.09 0.00 59.65 0.48 95 S C T 95.23 1.33 14.27 15.36 100.20 -56.79 28.82 -82.00 98.58 0.65 0.76 2.24 37.75 58.60 0.02 0.82 0.00 0.48 0.09 96 K C T 153.10 3.38 14.03 18.13 98.10 -11.45 -94.62 3.07 98.76 0.47 0.77 2.08 36.65 59.99 0.02 0.85 0.00 0.34 0.07 97 Q E E 56.77 12.70 13.92 27.43 126.48 86.63 -115.19 143.48 26.10 73.72 0.18 18.99 6.08 1.08 0.02 0.16 0.00 73.32 0.35 98 A E E 20.03 14.93 18.73 34.63 119.90 -146.06 -105.57 135.07 2.76 97.23 0.00 2.63 0.06 0.00 0.00 0.00 0.00 97.27 0.03 99 I E E 15.27 17.61 22.43 40.66 120.74 -158.74 -114.28 131.28 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 100 Y E E 12.90 21.94 21.77 43.53 124.79 -166.51 -114.62 141.01 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 101 T E E 18.83 16.01 24.22 40.25 134.79 -177.18 -135.83 154.90 2.07 97.93 0.01 1.96 0.07 0.01 0.00 0.00 0.00 97.88 0.07 102 R E E 69.88 15.26 21.17 35.86 114.94 -104.29 -75.91 141.47 20.89 78.98 0.12 19.24 1.41 0.16 0.05 0.07 0.00 78.24 0.84 103 A C C 25.39 16.85 15.35 32.17 111.76 -110.23 -70.55 144.18 87.67 8.40 3.93 70.01 12.04 5.22 0.71 3.40 0.00 7.77 0.85 104 T C C 79.93 6.44 17.27 24.41 105.41 -139.30 -87.23 27.53 86.47 2.98 10.55 46.20 22.69 17.11 1.39 9.85 0.00 1.77 0.98 105 A C C 72.62 5.31 12.68 19.28 100.45 59.64 -82.26 -8.35 86.15 1.92 11.94 33.21 27.14 25.18 1.22 11.44 0.00 0.99 0.81 106 S C C 70.80 5.68 10.14 17.14 106.99 73.25 -88.42 47.79 90.29 1.65 8.06 70.42 4.57 15.31 1.04 6.98 0.00 1.05 0.63 107 E C C 131.69 3.96 12.99 18.48 107.92 71.53 -85.69 93.00 99.87 0.09 0.03 99.73 0.13 0.06 0.01 0.00 0.00 0.04 0.01