# 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 95.70 8.05 11.80 20.86 112.03 -151.39 -87.43 127.09 99.71 0.15 0.14 99.58 0.13 0.10 0.08 0.01 0.00 0.07 0.03 1 R C C 148.92 3.89 10.29 15.76 109.70 -147.45 -84.59 119.27 72.92 4.35 22.73 66.77 1.85 5.21 18.36 3.38 0.00 2.61 1.81 2 K C C 139.56 2.62 9.90 13.92 106.95 -140.85 -81.13 96.92 61.84 4.09 34.08 42.19 8.73 10.90 25.95 8.19 0.01 2.78 1.24 3 K C H 130.91 3.31 11.02 15.63 106.76 52.85 -81.07 81.08 51.92 3.56 44.52 31.11 9.49 11.92 32.55 11.46 0.03 2.39 1.05 4 L H H 81.60 8.04 9.38 18.45 103.64 53.48 -80.09 27.64 46.24 3.88 49.88 29.80 7.94 9.48 37.16 11.87 0.04 2.46 1.24 5 R H H 140.82 3.99 12.08 17.45 102.77 58.82 -73.30 -17.72 46.41 3.14 50.45 27.69 8.52 11.66 39.49 9.58 0.06 1.91 1.09 6 R C H 142.82 3.43 12.69 17.24 98.10 52.89 -72.86 -11.80 54.12 2.71 43.17 30.79 9.17 14.85 33.54 8.99 0.04 1.58 1.03 7 M C C 89.64 7.64 10.84 19.69 100.93 56.48 -76.71 -22.94 58.66 3.59 37.75 35.66 11.14 12.27 29.10 8.38 0.04 1.97 1.43 8 R C C 132.40 6.13 11.79 19.13 103.94 60.25 -85.53 27.76 68.63 3.55 27.82 45.12 9.68 13.34 20.87 7.41 0.02 1.89 1.67 9 V C T 93.92 4.81 11.66 17.84 101.21 122.05 -79.04 -11.93 76.80 2.27 20.93 27.99 14.35 35.11 13.68 6.58 0.03 1.15 1.11 10 K C T 138.75 3.39 12.65 17.18 101.70 48.92 -86.74 -3.94 85.68 1.73 12.59 29.65 20.34 36.63 6.62 5.07 0.00 0.87 0.82 11 Y C C 105.31 8.49 10.05 19.79 114.35 72.75 -103.08 117.60 94.38 3.54 2.09 54.91 37.29 2.51 1.17 0.85 0.00 1.53 1.74 12 P C C 85.37 4.75 13.90 20.03 108.01 -128.83 -70.19 128.29 89.12 5.99 4.90 68.28 12.17 8.25 2.34 2.67 0.00 3.73 2.56 13 V C C 79.73 9.06 11.02 20.81 108.57 -161.05 -92.91 80.85 86.78 7.92 5.30 60.69 19.33 6.38 2.92 2.45 0.00 3.83 4.40 14 T C C 65.30 7.18 12.36 20.98 116.58 100.81 -97.85 132.26 89.90 4.94 5.16 69.01 17.34 3.42 3.44 1.85 0.00 2.73 2.19 15 P C C 82.29 5.70 13.13 20.22 103.59 -115.58 -67.96 93.14 80.92 3.04 16.04 52.32 12.72 16.03 8.52 7.33 0.00 1.92 1.16 16 L C C 94.02 7.50 11.09 19.66 104.00 62.38 -85.87 7.94 83.62 2.47 13.90 57.72 11.10 14.84 8.21 5.55 0.00 1.46 1.12 17 V C C 88.35 6.22 11.42 19.02 106.86 109.28 -89.06 75.82 84.94 3.02 12.03 61.35 11.55 11.79 7.43 4.77 0.00 1.79 1.31 18 G C C 54.28 3.05 13.11 17.41 104.29 -35.19 76.20 5.31 89.05 3.51 7.43 59.55 16.63 12.96 3.71 3.65 0.00 2.20 1.28 19 I C C 92.55 7.65 9.82 18.65 113.35 117.26 -94.68 127.39 88.71 6.01 5.28 61.82 20.86 6.03 2.69 2.61 0.00 3.49 2.50 20 E C C 126.48 3.50 13.24 18.40 115.91 -137.93 -89.77 136.58 93.16 4.59 2.26 72.15 18.67 2.47 1.18 1.08 0.00 2.90 1.55 21 P C C 81.98 7.41 11.59 20.41 112.60 -106.77 -67.75 145.45 93.31 4.59 2.10 79.11 11.26 2.88 0.93 1.11 0.00 2.73 1.98 22 I C C 91.78 7.35 11.42 20.37 116.55 -129.21 -95.61 133.86 95.69 3.47 0.84 78.64 15.86 1.17 0.44 0.37 0.00 1.84 1.66 23 P C C 76.47 6.51 10.96 19.23 112.49 -107.29 -67.49 147.46 93.91 3.68 2.41 75.57 14.43 3.77 1.12 1.19 0.00 1.95 1.98 24 R C C 141.70 4.43 10.31 16.54 115.04 -114.82 -85.26 139.38 93.98 2.73 3.30 74.21 15.02 4.34 1.67 1.55 0.00 1.17 2.03 25 P C T 108.64 2.43 10.68 14.61 103.87 -92.64 -65.35 103.17 86.80 0.69 12.50 25.21 12.18 50.00 5.40 6.44 0.00 0.34 0.44 26 G C T 53.57 3.10 11.59 15.89 101.40 22.29 42.07 -1.46 83.31 0.95 15.74 22.52 14.15 47.29 7.14 7.84 0.01 0.46 0.59 27 K C C 113.16 5.69 10.82 18.09 112.74 91.77 -94.42 124.57 71.72 5.98 22.30 41.48 17.70 12.61 11.77 10.20 0.05 2.80 3.39 28 K C C 108.33 7.66 11.73 20.44 111.04 -143.34 -87.84 121.57 67.10 6.30 26.60 47.06 9.79 10.08 16.89 9.70 0.04 3.43 3.00 29 H C T 110.61 6.41 13.81 21.31 107.40 -134.34 -83.98 85.92 57.68 3.98 38.34 23.52 10.72 24.26 20.93 16.33 0.14 2.34 1.76 30 D C T 72.08 7.93 14.57 23.48 105.55 48.49 -77.32 -17.39 58.33 2.51 39.16 21.14 11.36 26.70 21.28 16.75 0.15 1.28 1.33 31 W C C 106.18 11.70 13.02 24.96 100.49 67.86 -78.95 -15.39 53.89 3.28 42.83 28.67 11.27 14.77 25.55 16.43 0.07 1.68 1.56 32 N C C 91.88 6.92 14.58 22.48 101.76 62.66 -83.46 -0.10 63.48 3.09 33.43 34.38 12.83 17.10 21.75 10.81 0.04 1.48 1.61 33 N C C 87.12 7.14 13.28 21.60 104.91 80.14 -88.14 20.13 72.28 2.32 25.40 34.96 19.74 18.23 16.24 8.44 0.03 0.98 1.38 34 H C T 127.98 4.97 14.68 20.79 101.98 77.60 -86.89 -0.53 76.65 1.09 22.26 21.69 24.71 31.07 15.56 5.78 0.03 0.43 0.73 35 G C C 35.61 9.65 13.64 23.71 107.35 54.94 -80.51 -9.86 81.64 1.18 17.19 30.17 25.91 26.26 11.82 4.60 0.01 0.45 0.79 36 S C C 44.22 8.67 13.73 23.46 113.39 -17.00 -87.71 138.69 78.66 1.06 20.28 62.77 10.79 3.41 20.45 1.60 0.00 0.36 0.62 37 P H H 88.08 4.69 15.46 21.41 93.89 -125.36 -62.13 -35.46 12.37 0.16 87.47 6.09 2.52 3.99 86.21 1.06 0.01 0.07 0.06 38 M H H 109.74 3.21 18.05 21.49 92.61 52.83 -65.34 -40.45 5.06 0.08 94.86 1.80 0.79 2.51 93.90 0.92 0.01 0.04 0.02 39 A H H 28.69 12.47 16.20 29.39 92.36 49.81 -65.71 -41.07 1.91 0.04 98.05 0.78 0.26 0.88 97.29 0.75 0.01 0.03 0.01 40 K H H 67.95 13.97 16.96 30.66 92.10 51.68 -64.11 -41.04 1.21 0.03 98.76 0.43 0.16 0.58 98.35 0.47 0.00 0.01 0.00 41 A H H 53.03 4.18 20.77 25.13 92.03 51.03 -64.62 -41.50 1.67 0.04 98.29 0.48 0.19 0.93 97.88 0.47 0.01 0.02 0.01 42 I H H 67.14 6.20 20.52 27.30 92.08 49.21 -64.63 -42.24 2.24 0.06 97.69 0.55 0.29 1.35 97.26 0.49 0.02 0.03 0.01 43 A H H 12.87 16.50 15.06 32.32 91.99 50.24 -64.58 -42.04 3.20 0.12 96.68 0.82 0.48 1.87 96.25 0.47 0.02 0.05 0.03 44 S H H 43.97 10.83 16.25 27.67 92.38 50.78 -64.76 -39.63 4.98 0.11 94.90 1.15 0.63 3.16 94.14 0.80 0.03 0.05 0.04 45 E H H 134.21 1.99 18.94 20.66 94.26 45.89 -71.20 -38.03 7.53 0.08 92.39 0.62 0.67 6.43 91.24 0.91 0.06 0.04 0.03 46 I H H 87.85 7.13 17.20 24.75 101.31 35.30 -88.67 -38.39 18.35 0.09 81.56 0.61 1.44 16.69 80.13 0.92 0.12 0.03 0.06 47 C H H 45.25 11.67 15.02 27.32 101.78 22.56 -104.09 -15.90 29.17 0.26 70.57 1.83 5.95 21.54 69.46 0.81 0.15 0.07 0.20 48 G C S 38.74 5.57 18.94 25.45 98.73 -119.42 82.44 4.89 98.33 0.66 1.01 34.16 54.45 9.82 0.44 0.53 0.00 0.29 0.32 49 L C C 48.63 13.63 15.35 29.44 125.91 86.27 -116.22 150.21 94.88 3.35 1.77 57.43 34.05 3.04 1.08 0.64 0.00 1.07 2.70 50 A C C 24.58 11.71 17.68 30.69 119.08 -115.50 -76.07 156.77 93.49 0.44 6.06 82.62 8.81 1.07 6.76 0.32 0.00 0.13 0.30 51 P H H 59.82 8.89 19.46 29.52 92.23 -111.01 -58.80 -36.84 9.77 0.05 90.18 2.25 1.70 5.70 88.93 1.36 0.01 0.02 0.03 52 Y H H 75.22 13.70 20.27 33.56 92.51 53.11 -65.04 -39.00 5.68 0.04 94.28 1.07 0.67 3.82 92.91 1.49 0.02 0.01 0.02 53 E H H 47.15 16.09 19.49 34.99 92.53 50.63 -66.00 -40.51 2.27 0.02 97.71 0.74 0.26 1.18 96.65 1.16 0.00 0.01 0.01 54 K H H 87.31 9.51 21.99 31.53 91.98 50.62 -64.35 -41.40 0.79 0.00 99.21 0.25 0.07 0.36 98.98 0.33 0.00 0.00 0.00 55 K H H 84.61 8.30 23.30 31.80 91.88 50.02 -64.69 -41.13 0.67 0.00 99.32 0.14 0.05 0.38 99.18 0.25 0.00 0.00 0.00 56 A H H 9.81 18.51 18.72 37.51 91.77 50.75 -63.88 -42.75 0.59 0.00 99.41 0.10 0.03 0.35 99.29 0.23 0.00 0.00 0.00 57 L H H 41.34 12.79 20.68 33.92 91.60 51.18 -63.62 -42.01 0.42 0.00 99.58 0.06 0.03 0.26 99.39 0.27 0.00 0.00 0.00 58 E H H 85.16 4.45 23.02 27.38 91.56 50.90 -64.13 -40.99 0.95 0.00 99.05 0.09 0.05 0.71 98.55 0.60 0.00 0.00 0.00 59 L H H 32.25 11.34 18.03 30.88 91.76 50.60 -64.58 -41.69 2.26 0.01 97.73 0.21 0.15 1.75 96.68 1.21 0.00 0.00 0.00 60 I H H 30.10 16.04 14.87 31.22 92.24 50.44 -65.78 -39.57 8.28 0.07 91.65 1.22 0.88 6.02 90.34 1.45 0.03 0.03 0.03 61 K H H 122.47 4.65 17.43 23.04 92.42 52.84 -68.31 -32.89 24.56 0.26 75.18 3.24 2.99 18.43 73.31 1.70 0.07 0.10 0.15 62 S C H 67.42 3.74 14.79 19.39 97.99 47.60 -87.58 -8.73 59.01 0.59 40.40 8.45 12.66 36.95 39.10 2.20 0.06 0.19 0.40 63 D C T 83.41 7.44 12.39 20.81 101.46 -28.74 -81.63 21.55 73.87 0.71 25.42 26.01 14.91 33.26 20.97 4.11 0.01 0.27 0.46 64 Q C C 128.88 3.34 14.40 19.06 97.83 -138.69 -52.61 1.20 73.91 0.73 25.37 30.87 19.48 23.62 20.43 4.85 0.01 0.27 0.48 65 E C C 73.18 10.85 11.67 23.31 105.69 114.88 -83.96 94.35 70.88 0.65 28.47 49.00 9.11 11.67 26.00 3.57 0.00 0.25 0.39 66 R H H 144.59 4.16 15.76 21.41 95.15 -168.63 -66.16 -32.86 15.54 0.16 84.30 7.69 3.48 4.62 82.07 1.99 0.01 0.06 0.08 67 K H H 106.96 3.54 18.96 22.73 92.22 56.30 -64.30 -40.41 5.69 0.08 94.23 1.80 0.89 3.02 92.11 2.08 0.02 0.04 0.03 68 C H H 16.64 15.19 14.60 30.88 92.16 50.65 -64.71 -41.86 3.62 0.06 96.32 1.32 0.49 1.86 93.93 2.33 0.01 0.04 0.02 69 R H H 75.86 12.63 16.80 29.71 91.79 52.37 -63.52 -40.97 1.86 0.03 98.11 0.63 0.23 0.94 96.66 1.52 0.00 0.02 0.01 70 R H H 129.59 2.25 21.65 22.72 91.94 50.32 -64.62 -41.72 1.98 0.03 97.99 0.55 0.21 1.14 97.07 0.99 0.01 0.02 0.01 71 F H H 68.32 6.85 18.85 26.94 92.01 49.59 -64.58 -42.11 2.27 0.04 97.69 0.55 0.23 1.39 96.71 1.08 0.01 0.02 0.01 72 L H H 17.42 17.11 13.29 31.10 91.91 51.32 -64.14 -41.52 2.45 0.04 97.50 0.64 0.29 1.42 96.73 0.89 0.01 0.02 0.01 73 K H H 101.82 7.82 16.02 24.86 92.03 52.54 -64.38 -37.86 2.93 0.03 97.04 0.60 0.29 1.87 96.04 1.16 0.01 0.01 0.01 74 K H H 150.14 1.26 17.87 18.04 92.70 51.41 -68.00 -35.90 5.38 0.03 94.59 0.54 0.44 4.21 93.14 1.62 0.02 0.02 0.01 75 R H H 126.19 5.80 15.50 22.20 98.55 38.81 -82.73 -35.29 11.26 0.05 88.69 0.71 1.00 9.49 87.34 1.36 0.05 0.02 0.03 76 L H H 61.35 11.30 11.72 23.52 102.88 32.10 -101.40 -14.78 30.25 0.41 69.35 5.06 6.81 19.12 67.28 1.23 0.09 0.12 0.29 77 G C C 46.48 2.44 16.21 19.21 110.26 -129.47 78.94 -116.50 94.75 0.71 4.55 40.42 29.38 25.30 2.61 1.57 0.00 0.29 0.43 78 N C C 86.14 3.36 16.08 19.83 124.09 14.30 -113.53 151.70 90.74 1.68 7.58 43.48 33.54 13.91 5.17 2.12 0.00 0.56 1.22 79 L H H 89.79 8.72 12.03 21.95 93.71 -125.43 -63.42 -34.36 26.02 0.31 73.67 9.75 12.77 4.78 71.20 1.23 0.02 0.08 0.18 80 T H H 90.95 1.48 17.55 17.92 92.06 54.59 -63.56 -41.40 5.46 0.03 94.51 1.21 1.02 2.95 93.98 0.81 0.01 0.01 0.01 81 R H H 104.30 4.40 17.34 22.59 92.28 48.41 -66.00 -39.66 2.54 0.02 97.44 0.81 0.33 1.31 96.68 0.85 0.00 0.01 0.01 82 T H H 15.05 15.34 12.29 28.73 91.79 52.28 -63.64 -41.97 1.18 0.01 98.81 0.41 0.13 0.54 98.45 0.46 0.00 0.00 0.00 83 K H H 107.26 4.52 19.20 24.37 91.58 50.95 -63.76 -40.96 0.68 0.00 99.32 0.21 0.07 0.32 99.24 0.17 0.00 0.00 0.00 84 R H H 136.36 1.75 20.90 21.07 91.82 49.90 -65.15 -41.71 0.41 0.00 99.58 0.10 0.03 0.20 99.58 0.08 0.00 0.00 0.00 85 K H H 71.19 10.86 17.88 29.28 92.07 49.58 -65.62 -40.58 0.32 0.00 99.68 0.06 0.02 0.17 99.69 0.05 0.00 0.00 0.00 86 Q H H 55.49 14.26 16.70 30.90 91.72 51.87 -63.22 -41.80 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 87 E H H 114.08 2.04 22.32 22.94 91.56 49.89 -64.30 -41.39 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 88 A H H 51.35 4.32 20.97 25.58 91.61 49.57 -64.56 -41.35 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 89 L H H 23.57 16.31 16.16 33.11 91.92 49.76 -64.62 -41.64 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 90 T H H 55.43 7.48 19.38 27.77 91.66 51.34 -63.38 -41.12 0.30 0.00 99.70 0.04 0.02 0.16 99.75 0.03 0.00 0.00 0.00 91 A H H 56.11 2.18 20.93 21.81 91.58 50.61 -63.93 -41.77 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.03 0.00 0.00 0.00 92 I H H 48.17 7.83 17.22 26.82 92.03 49.73 -64.60 -42.38 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.05 0.00 0.00 0.00 93 A H H 24.67 11.56 13.40 26.54 91.98 50.54 -63.48 -40.84 0.34 0.00 99.66 0.04 0.02 0.21 99.63 0.10 0.00 0.00 0.00 94 R H H 148.91 2.17 15.44 17.98 92.42 50.95 -65.02 -38.62 1.62 0.00 98.37 0.12 0.08 1.21 98.21 0.38 0.00 0.00 0.00 95 E H H 134.44 1.64 13.31 15.26 92.88 52.13 -68.35 -31.98 10.19 0.01 89.80 0.50 0.44 8.63 89.87 0.56 0.00 0.00 0.00 96 Q H H 105.75 5.32 10.40 17.25 96.24 53.20 -80.07 -13.93 40.41 0.10 59.49 9.94 1.11 26.69 61.35 0.81 0.00 0.03 0.07 97 Q C C 118.32 5.20 11.72 18.50 103.15 97.88 -75.67 39.35 99.80 0.06 0.14 99.23 0.28 0.29 0.13 0.01 0.00 0.02 0.02