# 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 111.78 6.44 11.55 19.35 113.34 -160.87 -90.32 133.77 99.81 0.14 0.05 99.67 0.13 0.08 0.02 0.00 0.00 0.07 0.03 1 S C C 73.16 3.96 10.29 15.85 115.10 -139.31 -91.43 141.26 89.63 3.33 7.05 83.15 1.71 5.49 4.20 1.99 0.00 1.89 1.57 2 A C C 79.69 3.84 8.93 14.44 101.01 -128.41 -76.87 -7.48 82.97 3.75 13.29 51.62 16.91 14.70 7.16 5.89 0.01 1.99 1.71 3 K C C 147.98 2.42 10.61 14.31 103.85 72.99 -83.50 23.92 79.23 2.62 18.16 43.11 18.30 18.25 9.44 8.27 0.01 1.26 1.36 4 G C C 47.58 4.22 10.99 16.64 104.95 45.40 -26.27 -24.29 74.32 1.85 23.84 34.19 18.71 22.23 12.39 10.56 0.02 0.82 1.09 5 G C C 43.26 5.41 11.05 17.81 106.02 52.73 -59.79 -29.58 69.86 1.80 28.34 34.06 17.69 18.78 15.42 12.17 0.02 0.80 1.06 6 A C C 71.13 4.17 10.93 16.53 102.67 52.75 -77.85 -1.94 63.68 2.61 33.71 39.46 13.55 10.85 21.28 12.33 0.02 1.34 1.18 7 R C C 148.15 4.35 10.62 16.47 105.90 61.67 -81.61 91.44 61.58 3.71 34.71 43.49 9.75 8.33 24.41 10.43 0.02 2.11 1.47 8 K C C 131.74 4.30 10.78 16.67 107.88 71.10 -84.91 95.16 64.34 3.21 32.45 45.76 9.94 8.48 24.41 8.33 0.01 1.92 1.14 9 K C C 141.14 2.98 11.73 16.07 108.73 62.05 -91.26 96.06 64.30 4.47 31.22 42.85 11.80 9.60 23.90 7.62 0.02 2.69 1.54 10 W C C 134.23 8.16 8.86 17.98 113.03 -131.62 -90.08 127.39 66.92 4.37 28.72 45.18 12.58 8.78 23.52 5.80 0.02 2.43 1.70 11 T C C 77.67 4.34 11.20 17.01 115.97 -155.00 -98.07 150.65 72.70 3.14 24.16 52.03 10.59 9.02 20.86 4.52 0.01 1.72 1.26 12 K C H 148.37 2.70 11.47 15.54 99.47 -117.15 -73.72 -22.28 59.63 1.66 38.71 24.78 18.23 17.32 32.43 5.67 0.05 0.78 0.74 13 A C H 68.75 3.57 10.99 15.98 100.48 60.62 -75.76 -30.66 57.23 1.40 41.37 24.28 16.91 16.90 34.63 5.97 0.04 0.65 0.62 14 T C H 76.66 4.69 11.66 17.73 101.81 57.11 -78.08 -22.78 53.01 2.08 44.91 32.07 11.59 10.17 38.80 5.50 0.02 1.06 0.78 15 N H H 81.86 6.01 11.84 19.18 101.86 59.61 -77.89 -16.87 45.46 2.12 52.41 30.73 8.11 7.97 45.98 5.33 0.02 1.14 0.73 16 K H H 115.47 4.59 13.29 19.08 96.39 70.22 -68.56 -33.13 33.87 1.71 64.43 20.86 6.61 8.34 54.94 7.66 0.03 1.03 0.52 17 E H H 101.62 4.83 14.33 20.36 94.91 58.18 -69.22 -36.20 30.87 2.03 67.10 19.16 5.23 8.06 56.33 9.28 0.03 1.38 0.53 18 K H H 97.59 8.29 14.21 23.36 94.43 56.56 -68.87 -35.22 27.81 2.22 69.97 16.09 4.76 8.13 55.57 13.29 0.04 1.53 0.59 19 R H H 111.27 8.86 14.94 24.50 94.82 58.72 -70.70 -30.17 27.50 1.56 70.94 12.68 4.51 9.96 50.98 20.33 0.05 1.02 0.48 20 E H H 105.41 6.79 16.98 24.62 95.26 60.00 -73.28 -19.19 39.74 1.05 59.21 7.73 5.58 24.36 42.10 18.92 0.17 0.64 0.49 21 W C T 114.04 10.94 16.95 28.09 99.44 46.73 -96.57 6.56 55.06 1.38 43.57 9.34 8.20 36.06 28.28 16.36 0.18 0.78 0.80 22 A C C 35.62 13.32 16.91 30.76 117.34 113.67 -82.27 139.52 73.71 15.91 10.39 40.78 25.13 8.40 6.56 4.09 0.10 8.76 6.18 23 V C C 41.55 17.00 17.52 34.11 112.45 -136.62 -93.61 121.95 61.83 32.71 5.46 46.43 9.28 4.67 3.22 2.67 0.05 25.02 8.66 24 I C C 73.64 11.27 21.89 32.92 107.64 -165.07 -96.01 80.08 71.35 27.00 1.65 56.21 12.49 1.85 1.00 0.84 0.00 21.55 6.04 25 I C C 20.92 21.82 12.11 33.15 120.55 100.06 -101.12 135.32 83.56 16.15 0.29 71.84 12.04 0.29 0.22 0.11 0.00 11.04 4.45 26 T C C 66.87 4.35 20.26 24.64 117.34 -118.97 -74.89 154.83 99.54 0.40 0.06 99.20 0.45 0.03 0.04 0.01 0.00 0.20 0.08 27 P H H 88.37 6.73 13.51 21.93 91.88 -110.18 -57.17 -38.60 1.24 0.00 98.76 0.14 0.11 0.78 98.71 0.26 0.00 0.00 0.00 28 E H H 139.49 1.03 18.67 17.88 91.84 52.21 -64.55 -39.41 0.71 0.00 99.28 0.06 0.04 0.51 99.02 0.36 0.00 0.00 0.00 29 Q H H 50.67 11.01 16.45 28.49 92.30 47.33 -66.81 -39.68 0.26 0.00 99.74 0.04 0.02 0.15 99.54 0.26 0.00 0.00 0.00 30 A H H 9.73 20.22 13.79 34.02 91.29 52.74 -62.50 -42.67 0.13 0.00 99.87 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 31 A H H 52.33 4.25 21.14 25.65 91.27 51.27 -62.97 -41.18 0.26 0.00 99.74 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 32 D H H 75.88 3.39 22.57 25.42 91.57 50.28 -64.79 -40.37 0.46 0.00 99.54 0.03 0.01 0.35 99.55 0.05 0.00 0.00 0.00 33 M H H 10.57 21.29 16.49 37.92 92.01 50.77 -63.95 -42.56 0.43 0.00 99.57 0.04 0.02 0.29 99.48 0.17 0.00 0.00 0.00 34 V H H 40.69 16.63 17.91 33.96 91.75 51.96 -63.95 -38.69 1.12 0.00 98.87 0.07 0.06 0.91 98.35 0.61 0.00 0.00 0.00 35 K H H 145.62 1.47 22.42 22.47 91.93 51.95 -67.38 -36.07 7.05 0.01 92.94 0.14 0.21 6.98 91.75 0.90 0.01 0.00 0.00 36 S H H 48.62 8.51 18.85 27.94 93.92 47.24 -75.15 -30.42 16.78 0.03 83.19 0.36 1.00 15.67 82.03 0.87 0.04 0.01 0.02 37 V C C 10.24 21.67 11.64 33.26 103.69 40.07 -112.46 46.16 88.24 0.76 11.00 43.84 38.51 6.29 7.91 2.50 0.01 0.20 0.75 38 P C T 73.59 8.91 16.27 26.42 93.14 136.51 -63.78 -27.10 89.17 0.46 10.37 25.93 5.85 57.47 1.70 8.53 0.00 0.27 0.24 39 K C T 156.77 1.60 19.26 20.17 95.26 49.21 -90.48 -4.20 86.79 0.77 12.44 7.27 11.63 67.08 1.22 11.92 0.00 0.43 0.43 40 N C C 42.24 16.97 11.71 28.15 119.69 97.77 -90.50 138.15 94.12 2.81 3.07 68.64 21.18 3.94 0.65 2.61 0.00 1.15 1.84 41 K C S 120.57 7.01 20.91 28.90 96.09 -158.26 -82.55 -22.77 97.83 1.82 0.35 9.11 84.53 4.44 0.04 0.25 0.00 1.33 0.29 42 V E E 41.48 15.08 21.13 35.92 125.59 42.59 -127.37 133.34 35.57 63.68 0.76 10.92 22.37 4.60 0.23 0.54 0.04 56.97 4.33 43 I E E 9.19 23.81 20.18 43.77 118.63 -164.68 -115.91 124.00 22.43 77.29 0.29 18.13 4.10 0.19 0.25 0.12 0.00 61.25 15.96 44 S C C 20.65 13.14 27.07 40.68 129.63 -147.22 -108.95 163.61 78.73 21.06 0.21 78.29 1.58 0.09 0.17 0.04 0.00 18.78 1.05 45 A H H 9.83 23.22 19.61 42.74 91.70 -111.09 -59.58 -37.49 3.73 0.01 96.26 0.21 0.32 3.22 95.13 1.11 0.01 0.00 0.00 46 G H H 27.15 9.12 23.78 33.43 91.50 55.64 -62.98 -40.82 2.38 0.01 97.61 0.13 0.15 2.10 96.50 1.10 0.01 0.01 0.00 47 K H H 64.50 9.00 24.30 33.87 92.02 48.68 -65.58 -41.46 1.38 0.03 98.59 0.18 0.14 1.02 97.23 1.40 0.01 0.02 0.00 48 L H H 3.55 24.14 17.68 42.15 91.93 49.50 -64.45 -43.10 1.15 0.04 98.82 0.19 0.16 0.77 98.43 0.41 0.01 0.02 0.01 49 A H H 12.88 16.35 16.59 33.70 91.58 50.83 -63.20 -42.84 1.23 0.04 98.73 0.19 0.17 0.81 98.39 0.40 0.01 0.01 0.01 50 E H H 130.73 2.01 21.17 22.55 91.92 48.08 -65.30 -41.20 1.38 0.01 98.61 0.12 0.10 1.07 98.00 0.69 0.01 0.01 0.00 51 R H H 116.06 7.74 18.20 26.63 92.86 47.00 -69.11 -38.23 3.70 0.01 96.29 0.12 0.23 3.31 95.65 0.67 0.01 0.00 0.00 52 Y H H 50.91 15.72 14.07 30.17 97.16 32.95 -101.01 -1.03 18.86 0.06 81.08 0.78 1.90 16.11 80.28 0.85 0.03 0.01 0.04 53 K C T 163.13 1.64 20.32 21.60 93.08 -125.18 56.85 42.07 99.70 0.04 0.26 12.72 4.40 82.67 0.13 0.06 0.00 0.02 0.01 54 I C C 29.27 18.47 11.95 30.12 130.31 136.01 -122.06 154.71 97.86 2.05 0.10 79.77 17.64 0.25 0.06 0.03 0.00 0.62 1.63 55 S C C 58.66 4.23 23.38 27.10 116.67 -100.17 -72.95 152.61 99.22 0.69 0.09 98.78 0.54 0.06 0.05 0.01 0.00 0.18 0.38 56 L H H 53.94 17.92 14.90 32.03 92.10 -116.86 -60.65 -34.53 7.17 0.03 92.80 0.92 1.38 4.51 92.32 0.84 0.01 0.01 0.02 57 T H H 72.90 4.45 24.69 29.25 91.83 57.92 -63.64 -40.53 3.73 0.01 96.26 0.34 0.36 2.81 95.44 1.04 0.01 0.00 0.00 58 C H H 20.57 13.78 22.25 36.59 91.68 50.48 -65.10 -41.70 0.67 0.00 99.33 0.10 0.04 0.41 98.70 0.74 0.00 0.00 0.00 59 A H H 1.38 26.67 17.84 45.23 90.98 51.82 -62.99 -43.15 0.17 0.00 99.83 0.03 0.01 0.09 99.76 0.12 0.00 0.00 0.00 60 R H H 87.79 13.48 25.20 37.82 91.35 51.37 -62.49 -42.40 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 61 K H H 97.41 4.75 28.49 33.77 91.41 49.69 -64.22 -41.99 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 62 A H H 3.70 22.16 22.70 44.77 91.65 49.99 -63.98 -43.42 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 63 L H H 2.20 26.67 21.35 48.17 91.18 49.96 -63.71 -42.73 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 64 E H H 93.11 6.42 26.60 33.46 91.43 50.80 -63.15 -42.41 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 65 A H H 30.72 7.61 23.64 32.32 91.53 50.03 -64.11 -42.01 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 66 L H H 4.72 23.07 16.43 39.99 91.83 49.71 -64.18 -42.72 0.13 0.00 99.87 0.01 0.00 0.08 99.85 0.04 0.00 0.00 0.00 67 T H H 44.91 14.53 17.11 31.37 91.86 50.20 -63.44 -41.82 0.28 0.00 99.72 0.02 0.01 0.21 99.61 0.15 0.00 0.00 0.00 68 A H H 87.70 1.45 19.73 20.36 90.43 52.45 -64.45 -31.12 2.88 0.00 97.11 0.04 0.05 3.02 96.67 0.22 0.00 0.00 0.00 69 E C T 102.92 6.32 16.11 23.66 92.08 52.56 -85.06 -5.49 86.84 0.01 13.15 0.07 0.39 86.39 12.94 0.20 0.00 0.00 0.01 70 G C T 42.99 5.53 19.10 25.66 94.38 -112.82 81.81 12.37 99.89 0.00 0.10 0.09 0.53 99.32 0.03 0.01 0.00 0.00 0.00 71 K C S 40.45 16.13 17.73 34.29 95.59 118.55 -82.31 -26.17 99.57 0.42 0.01 9.16 90.00 0.54 0.00 0.00 0.00 0.25 0.04 72 I E E 2.86 26.04 14.41 41.70 132.57 30.22 -134.76 146.25 17.92 82.07 0.01 9.28 10.00 0.15 0.00 0.01 0.00 79.66 0.91 73 V E E 55.07 8.99 26.25 35.80 122.33 -157.19 -120.72 131.26 3.56 96.44 0.00 3.23 0.13 0.00 0.00 0.00 0.00 96.58 0.05 74 P E E 48.97 16.93 18.02 34.42 110.93 -116.58 -70.57 129.12 1.55 98.44 0.00 1.56 0.01 0.00 0.00 0.00 0.00 98.41 0.02 75 V E E 43.75 13.16 18.40 32.27 101.64 177.34 -97.39 -33.05 2.27 97.72 0.00 1.52 0.41 0.02 0.00 0.00 0.00 98.03 0.01 76 I E E 61.22 9.06 19.69 29.86 133.98 2.28 -146.44 144.47 0.84 99.15 0.00 0.64 0.12 0.01 0.00 0.00 0.00 99.20 0.02 77 N E E 82.93 12.21 13.24 26.01 125.73 -170.77 -133.27 133.22 6.45 93.53 0.02 5.56 0.49 0.06 0.00 0.01 0.00 93.78 0.10 78 G C C 30.44 5.74 13.93 21.30 129.60 169.12 -128.98 -175.22 67.47 32.36 0.16 59.60 5.51 0.59 0.03 0.15 0.00 33.49 0.62 79 H C S 165.52 1.21 13.94 15.12 95.60 -70.17 -60.43 -38.54 98.04 0.65 1.31 2.48 55.97 39.68 0.04 1.28 0.00 0.41 0.13 80 D C S 112.00 3.28 14.41 18.19 100.15 8.52 -104.70 -4.31 97.93 0.73 1.34 2.59 54.01 41.33 0.04 1.40 0.00 0.51 0.12 81 L E E 47.63 13.34 13.51 27.63 129.99 56.04 -129.87 145.68 39.86 59.82 0.32 30.58 7.74 1.38 0.04 0.31 0.00 59.40 0.55 82 K E E 62.78 12.86 20.04 33.33 123.62 -154.95 -117.24 135.33 4.35 95.63 0.01 4.15 0.15 0.02 0.00 0.00 0.00 95.59 0.08 83 C E E 10.84 19.20 21.25 40.62 124.99 -165.44 -119.00 140.77 0.36 99.64 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.67 0.01 84 Y E E 18.61 20.37 22.58 42.65 127.58 -169.09 -121.93 144.22 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.67 0.02 85 G E E 7.31 17.12 23.73 40.66 141.45 162.24 -151.24 169.34 8.15 91.84 0.01 7.42 0.42 0.02 0.00 0.00 0.00 92.00 0.12 86 P E E 39.07 14.65 21.31 35.81 114.34 -85.77 -68.63 147.58 30.45 69.45 0.10 26.27 3.89 0.26 0.03 0.07 0.00 68.32 1.15 87 H C C 50.26 16.16 16.64 32.66 111.15 -110.78 -78.72 127.87 94.46 4.28 1.26 88.53 5.13 1.05 0.51 0.61 0.00 3.52 0.63 88 P C C 69.54 9.84 16.16 26.54 100.11 -136.44 -67.81 -26.78 80.61 1.45 17.93 34.34 13.56 33.16 7.58 9.89 0.01 0.81 0.65 89 D C T 113.12 2.42 17.81 20.31 96.52 50.55 -82.20 -9.45 75.98 1.29 22.74 23.92 15.93 36.46 11.75 10.52 0.02 0.64 0.76 90 H C C 76.82 11.67 13.18 25.17 106.19 77.21 -89.86 50.50 67.30 2.38 30.32 42.27 16.82 8.54 21.35 8.73 0.01 1.23 1.04 91 V C C 64.63 10.19 15.07 25.90 103.24 122.48 -85.22 -7.11 57.00 3.51 39.49 42.54 8.28 6.11 34.81 5.03 0.01 2.19 1.03 92 V H H 68.21 9.25 14.79 24.81 104.08 56.71 -81.01 -34.64 42.41 3.77 53.82 30.28 7.41 5.85 47.20 5.77 0.02 2.66 0.81 93 E H H 107.50 5.00 16.38 22.03 101.69 52.98 -73.63 -35.07 38.85 3.88 57.27 27.14 6.56 6.26 50.23 6.08 0.02 3.00 0.70 94 K H H 103.27 6.55 15.68 23.18 98.71 52.34 -72.08 -31.46 37.11 4.87 58.01 26.58 5.65 6.11 51.10 5.86 0.02 3.80 0.87 95 V H H 52.72 11.77 12.36 24.75 96.16 58.81 -70.23 -35.81 33.09 4.14 62.77 23.34 6.10 5.46 56.31 4.96 0.03 3.04 0.77 96 E H H 112.05 4.57 15.34 20.79 95.83 54.11 -71.41 -30.26 36.59 3.64 59.77 24.94 6.08 6.88 53.93 4.76 0.02 2.69 0.70 97 E H H 113.07 3.73 14.84 19.45 96.58 52.87 -76.22 -23.37 43.41 3.63 52.96 28.62 7.25 8.42 47.84 4.51 0.03 2.54 0.80 98 V C H 61.65 9.92 10.90 21.80 102.25 65.36 -76.97 -1.26 48.57 3.42 48.01 34.22 8.24 6.32 44.86 3.37 0.01 2.15 0.83 99 K C H 117.55 5.28 13.07 19.60 103.05 53.55 -75.38 57.37 52.99 3.79 43.23 40.02 6.02 6.48 40.67 3.37 0.01 2.45 0.99 100 E C C 123.96 3.53 12.54 17.30 98.70 53.74 -76.06 -20.99 54.68 2.98 42.34 39.20 7.45 7.87 38.53 4.25 0.01 1.79 0.91 101 E C C 118.05 4.50 11.64 17.65 99.34 55.90 -80.14 -12.76 58.77 3.13 38.11 40.97 8.24 9.51 33.35 5.00 0.01 1.82 1.09 102 T C C 78.57 6.23 10.00 17.72 107.55 69.60 -84.09 90.27 71.82 3.36 24.83 49.67 9.48 11.81 21.50 4.28 0.01 1.93 1.32 103 K C C 146.92 2.68 11.60 15.67 105.59 60.09 -88.27 37.42 81.78 4.32 13.90 54.85 16.58 9.90 11.19 3.22 0.01 2.16 2.11 104 K C C 121.08 4.68 10.25 16.77 117.99 90.64 -91.75 140.23 95.06 2.34 2.59 58.53 34.98 1.72 2.05 0.62 0.00 0.93 1.17 105 P C C 84.60 4.39 11.01 17.17 113.48 -103.75 -67.42 149.08 92.59 1.19 6.22 82.74 5.34 4.62 3.38 2.72 0.00 0.60 0.61 106 A C C 80.47 3.80 10.63 16.27 108.14 -102.17 -71.05 135.49 83.73 2.53 13.74 51.45 10.82 21.71 5.01 8.40 0.00 1.30 1.32 107 G C C 50.60 3.90 10.63 16.06 108.50 15.54 61.75 16.63 83.05 3.38 13.57 42.59 16.38 24.47 4.28 9.06 0.01 1.85 1.37 108 K C C 141.97 3.13 10.22 15.02 108.55 89.72 -87.51 102.78 81.62 5.52 12.86 53.63 18.25 9.71 4.68 8.19 0.01 3.01 2.53 109 K C C 144.64 3.03 9.50 14.29 110.08 -117.62 -87.02 111.36 83.72 5.95 10.33 52.14 18.95 12.89 4.42 5.65 0.01 3.25 2.70 110 G C C 51.19 3.42 10.15 15.22 110.97 -51.30 80.43 155.69 86.83 3.41 9.76 47.33 18.94 20.82 2.70 6.99 0.00 1.97 1.24 111 G C C 50.46 3.61 9.55 14.87 114.43 -94.99 -63.73 166.73 83.01 4.38 12.61 47.92 16.81 18.31 2.71 10.17 0.00 2.62 1.46 112 K C C 153.95 2.06 8.86 12.57 111.31 -90.33 -87.17 130.35 79.43 7.63 12.94 52.25 14.39 12.78 3.19 10.02 0.00 4.98 2.40 113 K C C 149.44 2.58 8.05 12.58 112.21 -127.65 -87.75 128.58 86.74 5.93 7.33 78.05 2.40 7.21 2.53 3.78 0.00 4.00 2.03 114 Q C C 134.69 2.71 10.39 14.87 110.53 -133.65 -87.26 123.28 99.81 0.15 0.04 99.64 0.14 0.10 0.02 0.01 0.00 0.08 0.02