# 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 93.38 8.37 11.22 20.76 115.75 -145.14 -88.16 139.50 99.79 0.09 0.12 99.58 0.17 0.11 0.07 0.01 0.00 0.04 0.02 1 S C C 60.00 4.54 11.05 17.24 111.88 -116.96 -75.35 152.41 74.02 0.69 25.29 68.47 1.07 4.65 23.71 1.48 0.00 0.30 0.33 2 T H H 97.65 2.50 11.29 15.01 97.04 -118.65 -69.06 -29.99 39.84 1.00 59.16 26.08 7.60 8.15 53.67 3.61 0.02 0.46 0.41 3 I H H 90.13 4.97 10.79 17.29 95.22 55.29 -69.12 -37.83 23.92 1.06 75.02 14.65 4.95 7.01 66.43 5.96 0.04 0.63 0.33 4 E H H 98.68 4.36 12.37 18.15 94.71 53.11 -67.77 -37.06 19.12 1.01 79.86 12.14 3.43 5.71 70.53 7.20 0.03 0.67 0.30 5 Q H H 103.52 3.09 13.02 17.13 94.25 54.27 -67.75 -36.56 19.01 0.77 80.21 9.28 3.67 7.89 71.21 7.14 0.06 0.48 0.27 6 S H H 64.93 3.86 12.96 18.07 95.87 52.92 -72.17 -29.43 27.49 0.87 71.65 11.84 5.42 12.52 63.82 5.47 0.08 0.46 0.39 7 A H H 56.45 6.47 10.74 18.74 98.35 63.22 -75.40 -20.79 42.69 1.43 55.89 21.86 8.63 14.74 48.54 4.81 0.06 0.67 0.68 8 K C H 140.66 2.90 12.48 16.56 101.86 63.72 -78.82 0.11 56.81 1.53 41.66 18.34 11.11 28.62 34.82 5.46 0.12 0.68 0.85 9 G C T 49.93 3.59 12.10 16.91 103.49 31.91 55.30 -5.31 72.28 1.24 26.48 22.62 17.77 32.80 19.52 5.97 0.04 0.52 0.75 10 K C C 125.26 5.10 10.32 17.02 108.64 99.53 -85.59 106.91 79.66 2.12 18.22 42.48 20.15 17.58 10.80 6.74 0.01 0.88 1.35 11 K C C 136.83 3.62 10.62 15.87 109.07 77.99 -85.80 107.23 82.39 2.39 15.21 52.29 15.25 14.89 7.63 7.35 0.00 1.09 1.51 12 D C C 107.15 3.33 11.52 16.28 105.24 -114.48 -87.08 54.30 80.00 1.92 18.08 38.69 16.78 25.18 6.94 10.39 0.01 0.87 1.12 13 G C C 45.61 5.22 11.84 18.38 107.24 52.60 33.89 -2.87 79.11 1.79 19.10 29.84 23.99 26.26 5.93 12.15 0.01 0.82 1.00 14 D C C 92.96 4.70 12.98 19.00 108.98 81.19 -86.74 109.46 75.03 4.23 20.73 48.78 15.47 10.61 7.86 13.06 0.01 2.24 1.98 15 I C C 72.55 11.63 10.13 22.01 106.48 111.97 -88.87 74.54 71.15 6.63 22.22 54.60 9.07 7.08 8.74 13.92 0.01 4.05 2.53 16 R C C 148.23 4.39 14.49 20.10 101.64 110.72 -79.05 -18.39 67.05 6.36 26.59 42.99 11.42 12.64 7.80 19.04 0.02 4.16 1.93 17 Y C C 130.11 7.13 13.13 21.17 99.78 58.28 -83.80 0.32 67.18 7.10 25.71 35.13 15.44 17.67 6.18 19.00 0.03 4.42 2.12 18 L C C 83.30 9.96 11.74 22.32 105.60 83.55 -88.75 42.06 76.02 8.30 15.67 48.91 17.95 9.17 5.22 10.59 0.01 4.87 3.27 19 T C C 78.82 5.20 15.04 21.61 117.82 98.52 -102.13 130.47 92.56 5.78 1.65 60.90 30.63 1.57 0.85 0.77 0.00 3.56 1.72 20 P C C 74.84 9.01 12.67 22.69 112.69 -109.26 -66.54 144.39 86.35 6.54 7.11 71.98 8.76 5.53 2.81 4.18 0.00 4.32 2.42 21 L C C 80.66 10.31 11.59 22.65 111.91 -122.77 -83.88 132.25 85.88 4.78 9.35 63.78 14.17 7.77 3.35 6.06 0.00 2.85 2.00 22 N C C 117.70 2.72 15.23 18.77 105.18 -125.91 -83.98 81.05 87.17 4.65 8.17 72.40 8.79 5.96 2.86 5.27 0.00 3.04 1.68 23 I C C 67.18 12.51 8.99 21.63 114.33 162.57 -97.55 126.28 84.93 5.63 9.43 71.83 8.28 4.74 4.65 4.64 0.00 3.43 2.42 24 E C C 137.40 2.56 13.64 17.24 110.19 -149.90 -92.44 116.24 87.88 4.04 8.08 71.24 10.45 6.02 4.35 3.67 0.00 2.36 1.92 25 T C C 67.49 8.85 8.94 18.74 118.26 154.12 -107.12 141.33 87.67 2.50 9.83 63.76 15.48 8.33 5.31 4.49 0.00 1.30 1.33 26 N C C 119.76 2.64 11.41 15.19 103.18 -143.06 -87.13 23.37 84.94 1.43 13.62 43.43 26.33 15.47 6.82 6.45 0.00 0.63 0.86 27 K C C 130.91 3.92 10.23 15.96 109.52 106.70 -91.37 115.65 81.39 1.49 17.12 36.79 29.05 16.20 7.99 8.39 0.01 0.66 0.92 28 T C C 96.64 3.56 10.87 16.04 107.63 89.93 -87.98 75.16 78.48 2.09 19.43 51.61 14.70 11.86 7.94 11.68 0.00 1.11 1.09 29 K C C 113.97 7.01 11.46 19.88 113.54 95.43 -92.04 130.75 79.48 3.33 17.19 50.00 15.96 13.57 6.84 10.29 0.01 1.90 1.44 30 K C C 122.86 6.43 15.29 22.75 106.59 -155.70 -91.27 37.70 77.68 8.71 13.61 50.98 14.80 12.22 5.40 7.95 0.02 5.98 2.66 31 Y C C 80.70 11.72 15.90 28.35 124.79 53.88 -117.19 146.08 74.30 20.78 4.93 55.69 14.40 2.71 3.27 1.93 0.05 9.44 12.51 32 C C C 14.73 17.11 15.47 33.52 111.42 -115.58 -79.14 130.79 86.61 10.25 3.14 79.12 6.53 0.94 2.87 0.55 0.00 5.43 4.56 33 R H H 83.57 9.30 20.48 30.96 93.55 -140.37 -64.07 -34.34 8.26 0.17 91.56 1.71 1.76 5.50 87.45 3.33 0.10 0.09 0.07 34 F H H 18.71 19.99 14.63 34.53 91.97 53.68 -64.98 -40.81 6.13 0.13 93.74 0.80 0.80 4.75 87.78 5.67 0.08 0.08 0.04 35 K H H 98.90 9.72 16.57 26.71 92.96 49.46 -67.54 -39.49 3.81 0.08 96.10 0.58 0.44 2.79 88.94 7.14 0.03 0.06 0.02 36 K H H 139.45 2.78 17.23 20.71 92.91 51.39 -69.08 -31.01 9.21 0.10 90.69 0.82 0.90 7.46 83.66 6.99 0.07 0.05 0.04 37 S C T 50.74 8.82 13.94 23.98 94.72 49.80 -86.46 -4.37 62.10 0.15 37.75 1.18 3.00 57.17 34.52 3.86 0.05 0.06 0.15 38 G C T 48.37 3.49 18.08 22.01 96.84 -113.40 79.99 12.27 99.26 0.07 0.67 7.36 3.09 89.01 0.28 0.19 0.00 0.04 0.02 39 I C C 29.76 18.74 9.88 28.04 112.24 149.56 -87.73 123.93 95.81 2.70 1.49 93.21 1.91 0.99 0.45 0.79 0.00 1.33 1.32 40 K C C 132.99 4.25 20.48 25.68 101.21 176.76 -97.78 -17.02 96.01 2.44 1.55 58.82 32.30 4.74 0.29 1.54 0.00 1.49 0.83 41 Y C C 107.18 9.13 21.35 30.85 124.56 37.66 -123.75 137.40 86.84 11.44 1.72 56.67 25.58 4.35 0.35 1.78 0.00 6.86 4.41 42 I C C 14.71 23.07 13.73 36.64 121.06 -170.05 -113.57 130.58 87.20 12.24 0.56 82.73 3.95 0.39 0.24 0.33 0.00 6.04 6.32 43 D C C 55.45 8.03 23.81 32.20 111.59 -151.67 -102.69 114.66 97.56 2.21 0.23 96.50 1.21 0.22 0.07 0.10 0.00 1.08 0.82 44 Y C T 46.94 20.68 13.75 34.04 92.77 -152.47 -68.47 -18.03 88.80 0.17 11.03 1.44 4.62 82.17 0.73 10.86 0.00 0.09 0.09 45 K C T 133.63 4.41 19.28 24.64 92.50 64.67 -79.61 -14.02 88.42 0.16 11.43 1.17 5.32 81.25 0.82 11.27 0.00 0.08 0.09 46 D C C 60.86 8.17 16.35 25.88 107.23 67.37 -109.56 92.30 89.39 1.98 8.63 70.79 13.82 3.86 1.87 7.35 0.00 0.74 1.58 47 A H H 38.54 16.39 12.88 29.16 93.91 -175.01 -63.75 -32.11 8.77 0.06 91.18 1.62 1.10 5.60 80.06 11.55 0.01 0.03 0.03 48 D H H 99.69 2.61 20.72 23.49 91.77 60.81 -64.73 -36.41 3.58 0.01 96.40 0.20 0.23 3.02 84.88 11.65 0.01 0.01 0.00 49 F H H 37.39 13.13 18.34 32.40 92.00 51.34 -65.81 -41.24 1.57 0.01 98.42 0.10 0.10 1.33 88.22 10.24 0.00 0.01 0.00 50 L H H 3.93 25.73 15.09 41.15 91.22 52.13 -63.98 -41.32 1.37 0.01 98.62 0.11 0.10 1.09 90.13 8.56 0.00 0.00 0.00 51 L H H 63.57 13.17 20.52 33.45 90.95 56.44 -65.10 -31.16 6.14 0.03 93.83 0.25 0.28 5.11 65.60 28.71 0.01 0.02 0.01 52 K H H 115.01 5.43 24.50 30.55 91.35 58.42 -71.91 -23.58 26.31 0.04 73.65 0.40 0.86 25.31 45.09 28.27 0.03 0.02 0.03 53 F H T 12.64 21.81 17.61 40.10 95.88 51.46 -94.46 -8.25 45.81 0.21 53.98 1.67 2.97 40.04 29.04 25.97 0.03 0.12 0.16 54 V E B 15.81 21.27 15.15 36.50 122.40 89.06 -95.30 141.89 5.77 94.07 0.16 2.79 0.71 0.02 0.15 0.01 0.00 6.55 89.77 55 N C C 41.00 9.95 16.77 28.17 124.31 -133.52 -80.99 174.37 97.69 2.22 0.09 98.00 0.27 0.07 0.03 0.03 0.00 1.11 0.49 56 E C T 150.26 3.31 15.62 20.43 90.41 -88.43 -63.83 -20.99 99.34 0.23 0.43 0.24 2.52 96.76 0.02 0.27 0.00 0.14 0.04 57 Q C T 122.01 2.46 18.44 20.77 92.25 56.09 -87.69 -0.98 99.49 0.09 0.42 0.12 2.33 97.17 0.01 0.31 0.00 0.04 0.02 58 G C S 12.74 17.66 13.69 31.42 95.11 -107.31 82.08 10.71 99.51 0.30 0.20 10.57 88.23 0.83 0.02 0.12 0.00 0.11 0.13 59 K C C 92.74 6.49 23.14 30.61 121.77 136.71 -89.15 146.62 95.16 4.76 0.08 78.01 17.03 0.21 0.04 0.04 0.00 1.92 2.75 60 I E B 22.29 22.09 16.30 38.43 113.71 -111.62 -77.80 133.90 7.85 92.07 0.08 5.10 0.42 0.01 0.09 0.01 0.00 9.08 85.29 61 L C C 27.97 16.88 18.48 35.75 114.45 -119.86 -76.60 137.23 95.94 3.99 0.07 95.22 1.25 0.07 0.03 0.02 0.00 2.90 0.51 62 P C C 45.21 9.89 21.05 31.75 113.64 -106.17 -66.98 147.13 94.19 2.07 3.74 91.05 2.51 1.10 2.05 1.22 0.00 0.99 1.07 63 R H G 106.61 14.26 14.70 28.69 92.32 -118.02 -60.87 -29.36 37.61 0.83 61.56 7.07 7.22 22.91 18.18 43.73 0.03 0.46 0.39 64 R H G 159.45 2.95 19.45 23.15 91.37 64.19 -69.29 -21.41 34.82 1.64 63.53 7.59 6.31 20.59 19.48 44.35 0.09 0.98 0.62 65 L H G 57.40 13.43 15.94 29.54 96.44 59.62 -84.53 -10.26 37.87 3.81 58.33 15.65 9.43 14.28 19.24 37.76 0.14 2.15 1.35 66 T C C 31.12 18.89 13.75 31.51 102.09 71.00 -87.76 -0.25 73.34 6.68 19.98 43.49 16.00 14.15 13.68 5.82 0.08 2.92 3.86 67 G C C 46.08 6.09 20.57 27.05 99.01 -122.87 80.26 7.60 90.71 5.28 4.02 38.52 35.79 17.18 1.70 2.00 0.01 2.80 1.99 68 T C S 35.04 16.34 12.11 28.22 123.50 109.66 -97.32 153.66 90.62 6.63 2.75 37.69 47.77 5.37 1.67 0.99 0.01 2.60 3.90 69 S C C 50.22 4.93 18.92 24.23 118.25 -96.36 -74.86 159.60 94.13 4.14 1.73 85.97 6.95 1.00 1.33 0.43 0.00 1.56 2.77 70 L H H 101.05 6.88 14.60 22.97 91.96 -108.70 -59.01 -37.65 2.18 0.01 97.80 0.55 0.43 1.02 97.64 0.35 0.00 0.00 0.00 71 K H H 130.83 2.12 19.86 21.63 91.58 53.45 -64.16 -40.89 1.03 0.00 98.97 0.15 0.10 0.68 98.70 0.38 0.00 0.00 0.00 72 Y H H 53.26 13.52 17.38 31.44 92.37 47.94 -66.25 -40.97 0.45 0.00 99.54 0.09 0.04 0.27 99.21 0.39 0.00 0.00 0.00 73 Q H H 30.42 18.35 16.34 34.35 91.72 52.07 -62.74 -42.24 0.18 0.00 99.82 0.03 0.01 0.10 99.78 0.07 0.00 0.00 0.00 74 R H H 128.38 4.16 23.61 27.90 91.56 50.33 -64.12 -40.93 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 75 K H H 89.35 7.71 23.77 31.65 91.78 49.62 -65.05 -41.29 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 76 V H H 6.54 23.33 19.30 42.52 92.13 49.31 -65.05 -42.53 0.11 0.00 99.89 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 77 S H H 25.39 14.07 22.96 36.99 91.51 51.55 -62.85 -42.46 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 78 V H H 68.37 4.08 26.54 30.64 91.38 49.21 -64.11 -42.34 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 79 A H H 12.15 15.52 21.91 38.11 91.63 50.18 -63.87 -42.92 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 80 V H H 10.79 21.80 20.72 41.98 91.92 49.64 -63.79 -43.09 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 81 K H H 95.61 7.59 24.98 32.91 91.60 50.36 -63.42 -41.90 0.21 0.00 99.79 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 82 R H H 102.47 6.66 24.23 31.12 91.86 49.74 -64.80 -41.50 0.37 0.00 99.63 0.03 0.02 0.26 99.62 0.06 0.00 0.00 0.00 83 A H H 9.70 17.68 17.77 36.09 91.98 51.06 -64.18 -41.92 0.45 0.00 99.55 0.05 0.02 0.31 99.44 0.19 0.00 0.00 0.00 84 R H H 91.47 11.52 19.91 31.36 92.15 50.99 -64.39 -40.62 0.94 0.00 99.06 0.07 0.04 0.73 98.68 0.47 0.00 0.00 0.00 85 H H H 105.27 4.62 19.77 24.90 92.53 50.00 -67.03 -37.00 2.14 0.00 97.85 0.13 0.09 1.80 97.26 0.72 0.00 0.00 0.00 86 L H H 70.96 8.99 16.05 25.98 93.84 52.36 -70.87 -32.52 8.04 0.02 91.94 0.41 0.41 7.20 90.47 1.48 0.01 0.01 0.01 87 A H H 57.33 8.50 15.98 25.12 95.82 44.35 -69.27 -26.39 46.65 0.06 53.29 0.94 1.48 44.03 51.46 2.00 0.02 0.02 0.05 88 L C T 87.77 6.88 15.72 23.51 98.03 54.82 -87.63 -15.45 65.69 0.20 34.11 3.76 5.20 54.63 33.67 2.47 0.02 0.08 0.17 89 M C C 70.43 10.57 11.91 23.43 108.51 96.93 -83.64 104.99 79.58 1.02 19.41 45.12 28.22 6.63 13.24 5.62 0.01 0.34 0.82 90 P C C 82.41 4.68 14.60 20.65 95.33 -141.43 -65.31 -27.16 63.34 0.94 35.72 30.39 10.91 21.86 20.79 15.04 0.01 0.45 0.54 91 Y C C 128.82 4.86 14.58 20.59 96.83 57.44 -75.57 -22.65 53.68 4.57 41.75 27.65 9.14 17.61 26.39 14.78 0.09 2.63 1.70 92 V H H 54.31 10.42 12.38 23.79 96.94 61.92 -75.22 -31.55 44.80 5.00 50.20 31.51 6.69 7.52 36.80 12.80 0.04 2.98 1.65 93 A H H 50.35 7.11 12.23 20.97 95.06 62.26 -66.19 -37.26 32.92 2.11 64.97 17.98 5.90 9.13 42.22 22.80 0.05 1.31 0.60 94 D H H 98.52 2.68 13.58 17.14 95.37 57.73 -71.53 -25.26 32.18 1.18 66.63 13.11 5.42 12.74 42.31 25.26 0.07 0.67 0.42 95 L H H 94.79 5.59 10.76 17.90 96.40 60.14 -75.07 -23.85 35.78 1.65 62.57 15.89 6.24 13.27 40.02 22.95 0.08 0.91 0.64 96 L C C 95.95 6.36 9.03 16.77 100.89 62.54 -83.66 -3.06 57.65 1.94 40.41 41.95 3.11 13.95 29.78 9.15 0.01 0.98 1.07 97 K C C 148.34 2.68 12.60 16.71 104.77 73.32 -79.06 81.30 99.68 0.08 0.24 99.22 0.20 0.34 0.16 0.02 0.00 0.04 0.02