# 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 115.94 5.67 11.94 19.15 116.19 -169.03 -100.30 136.92 99.83 0.15 0.01 99.79 0.08 0.03 0.00 0.00 0.00 0.08 0.02 1 S C C 81.64 3.29 10.40 15.60 115.07 -133.82 -89.58 138.29 92.08 5.19 2.73 87.44 1.63 3.58 0.88 1.31 0.00 3.22 1.94 2 Y C C 156.00 4.73 9.18 15.74 113.42 -152.42 -98.56 121.37 82.89 10.96 6.15 55.77 15.23 11.59 1.57 4.83 0.01 6.59 4.42 3 S C C 78.80 3.89 10.98 16.57 115.07 -157.60 -101.27 131.12 83.40 10.10 6.49 45.83 18.80 19.51 1.22 5.35 0.01 6.44 2.84 4 G C C 44.33 5.87 11.93 19.19 117.30 51.72 129.50 170.50 85.24 9.34 5.41 46.51 21.90 17.43 1.06 4.51 0.01 5.93 2.65 5 Y C C 135.29 6.32 11.47 19.26 117.85 -102.71 -102.86 138.15 75.80 20.82 3.37 55.97 14.02 4.32 1.48 2.08 0.01 10.03 12.10 6 S C C 51.07 7.17 11.43 19.97 123.50 -146.33 -97.59 161.75 82.40 14.81 2.79 63.53 13.15 4.88 1.04 1.92 0.00 7.86 7.61 7 L C T 123.21 4.55 10.90 16.82 95.26 -103.86 -70.72 -18.69 85.15 4.02 10.83 13.55 20.68 50.82 1.48 9.30 0.01 2.30 1.84 8 N C T 125.55 1.56 11.82 13.67 99.69 53.82 -93.33 7.10 86.43 2.59 10.98 9.85 20.11 56.02 1.29 9.90 0.01 1.45 1.36 9 G C S 49.42 3.79 11.12 16.51 107.86 -94.46 90.90 7.51 86.97 3.20 9.83 19.81 43.27 23.67 1.09 8.82 0.00 1.58 1.75 10 G C C 40.18 4.45 12.90 18.81 125.87 101.49 109.70 -175.49 91.47 6.66 1.87 41.10 40.48 10.04 0.38 1.61 0.00 3.36 3.04 11 V C C 96.85 5.19 14.38 20.91 114.22 -43.95 -79.69 139.51 86.36 12.36 1.28 59.38 23.02 3.03 0.43 0.89 0.00 4.28 8.97 12 H C C 69.14 12.09 12.62 25.37 117.40 -122.54 -78.81 146.19 96.76 2.65 0.60 85.89 9.38 1.09 0.28 0.27 0.00 1.04 2.06 13 P C T 78.96 6.98 18.16 26.19 92.85 -114.56 -64.11 -24.36 98.18 0.37 1.44 1.97 6.28 90.23 0.44 0.69 0.00 0.20 0.20 14 C C T 19.49 18.39 13.69 32.18 95.57 55.07 -93.04 -4.44 96.68 0.09 3.23 2.92 3.49 90.80 1.84 0.84 0.00 0.04 0.06 15 L H H 47.64 12.43 15.68 29.28 92.65 96.13 -58.89 -42.23 2.16 0.00 97.84 0.76 0.27 0.84 97.77 0.35 0.00 0.00 0.00 16 P H H 70.66 3.48 21.13 24.41 91.47 51.89 -64.05 -38.24 0.41 0.00 99.59 0.05 0.02 0.25 99.49 0.19 0.00 0.00 0.00 17 F H H 46.11 12.95 18.51 32.14 92.13 50.80 -65.09 -41.39 0.09 0.00 99.91 0.01 0.00 0.05 99.82 0.11 0.00 0.00 0.00 18 Y H H 38.00 17.67 17.05 34.50 92.19 51.73 -64.20 -42.00 0.04 0.00 99.96 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 19 E H H 91.71 5.27 21.66 27.22 91.81 51.34 -63.87 -40.88 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 20 R H H 111.16 5.41 21.90 27.60 91.92 50.14 -64.59 -41.31 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 21 M H H 22.57 17.83 17.29 35.35 92.13 50.57 -65.04 -41.80 0.16 0.00 99.84 0.00 0.00 0.13 99.81 0.05 0.00 0.00 0.00 22 L H H 53.32 10.61 19.58 30.89 91.55 51.76 -63.57 -40.65 0.52 0.00 99.48 0.02 0.02 0.40 99.35 0.21 0.00 0.00 0.00 23 Q H H 94.24 2.71 22.19 23.94 91.71 51.22 -64.47 -40.17 2.71 0.00 97.28 0.16 0.12 2.28 95.76 1.67 0.00 0.00 0.00 24 C H H 22.47 11.31 15.51 28.70 91.95 51.23 -65.37 -39.75 6.01 0.01 93.97 0.45 0.34 4.97 91.39 2.83 0.01 0.00 0.00 25 A H H 33.27 13.83 14.30 28.46 92.43 54.73 -68.63 -30.81 13.27 0.08 86.65 1.58 1.35 10.27 84.16 2.51 0.04 0.03 0.05 26 K H H 133.03 3.06 16.42 19.94 96.57 55.41 -83.39 -13.64 48.07 0.46 51.46 5.47 7.31 35.00 49.22 2.41 0.10 0.17 0.32 27 S C T 74.15 3.93 13.12 18.36 102.69 36.08 -85.18 37.02 74.49 0.55 24.96 14.15 12.00 47.52 23.10 2.65 0.02 0.19 0.37 28 E C C 126.65 4.61 10.94 17.30 102.28 77.70 -81.92 16.76 89.29 0.83 9.88 39.34 26.16 24.13 6.01 3.43 0.00 0.30 0.63 29 A C S 85.56 2.18 13.58 16.30 99.73 78.05 -81.76 -16.84 94.91 0.52 4.58 30.40 46.98 17.95 1.90 2.22 0.00 0.22 0.35 30 L C S 74.08 7.39 11.78 20.74 113.73 34.80 -113.06 110.69 94.86 0.85 4.29 44.28 46.48 4.27 2.65 1.40 0.00 0.28 0.63 31 P C C 54.97 7.70 13.54 23.00 110.91 -128.00 -65.57 141.82 81.38 0.86 17.76 66.65 6.62 8.39 10.15 7.22 0.00 0.40 0.56 32 I H G 87.00 10.58 12.82 23.93 94.37 -119.74 -63.22 -32.68 45.22 1.13 53.65 21.50 9.03 14.55 24.62 29.17 0.02 0.56 0.56 33 K H G 148.71 1.75 17.65 19.18 93.14 57.21 -67.41 -31.61 32.82 1.42 65.75 12.49 6.19 13.45 30.17 36.38 0.03 0.85 0.45 34 M H G 94.12 6.04 16.48 23.47 95.85 49.17 -75.15 -28.35 32.30 1.57 66.13 12.63 5.89 12.88 32.56 34.56 0.05 0.90 0.54 35 C H H 17.45 18.28 10.98 28.97 98.39 50.10 -91.61 -3.65 44.82 1.82 53.36 23.19 7.54 14.52 32.29 20.55 0.04 0.90 0.98 36 T H H 64.30 6.76 17.35 25.41 93.37 90.23 -61.16 -42.79 11.42 0.14 88.44 7.40 2.23 2.20 86.90 1.17 0.00 0.05 0.05 37 A H H 58.07 3.86 20.21 24.07 92.02 50.71 -64.73 -39.87 3.28 0.04 96.67 1.14 0.48 1.65 95.58 1.11 0.01 0.02 0.01 38 Q H H 52.49 13.28 18.08 31.47 92.53 49.96 -66.09 -40.43 2.00 0.03 97.98 0.64 0.23 1.05 96.94 1.11 0.00 0.02 0.00 39 T H H 32.62 14.20 17.68 32.17 92.05 50.88 -64.16 -41.57 1.28 0.01 98.70 0.40 0.14 0.63 98.24 0.57 0.00 0.01 0.00 40 E H H 98.90 3.90 22.41 26.18 91.67 50.50 -64.35 -40.87 0.64 0.01 99.35 0.14 0.06 0.36 99.21 0.22 0.00 0.00 0.00 41 D H H 51.31 8.63 19.89 29.40 92.07 50.67 -64.95 -41.15 0.55 0.01 99.44 0.10 0.05 0.34 99.28 0.22 0.00 0.00 0.00 42 Y H H 40.54 15.75 17.78 33.76 92.16 50.24 -64.71 -42.08 0.51 0.00 99.49 0.08 0.05 0.34 99.24 0.29 0.00 0.00 0.00 43 L H H 64.21 8.01 20.41 29.15 91.75 49.93 -64.24 -40.81 0.82 0.00 99.18 0.10 0.06 0.60 98.74 0.50 0.00 0.00 0.00 44 E H H 80.43 5.28 19.94 25.93 91.96 51.05 -65.32 -39.55 2.97 0.01 97.02 0.20 0.18 2.49 95.80 1.32 0.00 0.00 0.00 45 C H H 33.99 12.57 16.27 29.65 93.10 50.26 -69.52 -34.77 12.75 0.01 87.24 0.43 0.59 11.93 84.99 2.04 0.01 0.01 0.01 46 H H H 77.67 11.05 17.42 28.75 96.15 45.58 -83.63 -24.83 35.32 0.09 64.59 1.53 3.06 30.37 62.58 2.32 0.05 0.03 0.07 47 H C S 94.66 6.37 16.63 23.94 105.64 54.22 -96.23 19.33 74.48 1.19 24.33 19.32 27.67 26.58 22.97 2.15 0.03 0.33 0.94 48 R H H 118.60 8.83 13.85 23.48 98.02 -148.58 -52.45 -18.77 45.74 0.63 53.63 18.35 18.07 9.56 51.44 2.00 0.02 0.18 0.37 49 K H H 135.43 2.57 16.82 19.67 93.90 63.40 -65.35 -38.36 8.62 0.05 91.33 2.52 1.48 4.63 89.30 2.01 0.01 0.02 0.03 50 K H H 97.35 6.00 16.74 23.63 92.89 50.45 -67.15 -39.74 4.19 0.02 95.79 1.15 0.53 2.36 93.89 2.05 0.01 0.01 0.01 51 Q H H 49.61 11.87 15.22 27.94 92.31 51.45 -64.87 -41.70 2.14 0.01 97.85 0.67 0.24 1.07 96.53 1.47 0.00 0.00 0.00 52 Y H H 105.44 5.64 18.82 25.11 92.02 50.16 -63.90 -41.76 1.22 0.01 98.77 0.36 0.12 0.61 98.42 0.49 0.00 0.00 0.00 53 A H H 48.96 3.53 19.49 23.24 91.55 50.57 -63.60 -41.86 0.56 0.00 99.44 0.16 0.04 0.27 99.42 0.12 0.00 0.00 0.00 54 L H H 62.14 8.06 18.14 27.20 92.13 49.86 -64.66 -41.22 0.35 0.00 99.65 0.07 0.02 0.19 99.64 0.08 0.00 0.00 0.00 55 N H H 51.50 9.28 17.28 27.58 91.75 50.88 -64.03 -41.68 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 56 Y H H 123.97 2.89 20.30 22.68 91.87 49.68 -64.73 -41.18 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 57 A H H 45.03 4.22 18.35 23.37 91.63 50.54 -63.81 -41.85 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 58 I H H 61.81 8.10 16.75 25.92 91.91 48.94 -64.64 -42.05 0.14 0.00 99.86 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 59 K H H 104.12 5.27 17.72 23.58 91.68 50.44 -63.57 -41.12 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 60 K H H 119.49 2.06 18.90 20.25 91.88 49.93 -64.97 -41.09 0.25 0.00 99.75 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 61 E H H 84.14 4.44 17.47 22.63 91.95 49.95 -65.00 -40.72 0.45 0.00 99.55 0.04 0.02 0.29 99.58 0.06 0.00 0.00 0.00 62 L H H 60.70 6.92 15.62 24.02 92.11 50.31 -64.32 -41.61 0.96 0.00 99.04 0.12 0.06 0.62 99.06 0.14 0.00 0.00 0.00 63 N H H 79.35 3.58 16.95 21.07 91.81 50.69 -64.31 -40.28 3.11 0.01 96.88 0.34 0.20 2.21 97.01 0.24 0.00 0.00 0.00 64 N H H 86.24 2.86 16.48 19.60 92.33 51.09 -65.20 -40.20 5.43 0.02 94.56 0.91 0.48 3.50 94.67 0.42 0.01 0.01 0.01 65 I H H 82.80 4.26 14.93 20.15 92.59 50.13 -66.18 -40.38 5.02 0.06 94.92 1.60 0.78 2.64 93.76 1.15 0.02 0.03 0.03 66 R H H 131.05 3.63 15.06 19.53 92.85 51.68 -66.00 -40.00 5.92 0.16 93.92 2.36 0.81 2.85 91.96 1.86 0.02 0.09 0.06 67 I H H 93.66 3.88 13.51 18.52 93.38 50.80 -67.32 -37.75 8.30 0.26 91.44 3.02 1.13 4.31 88.69 2.56 0.02 0.15 0.09 68 V H H 96.41 2.97 13.59 17.13 94.87 49.81 -72.28 -27.18 16.87 0.26 82.87 3.54 2.14 11.15 80.70 2.18 0.04 0.13 0.11 69 A H H 70.76 3.22 13.15 17.23 97.97 53.24 -82.29 -14.68 37.70 0.31 61.99 6.52 6.23 25.07 59.92 1.90 0.05 0.11 0.19 70 L C S 78.04 7.23 10.10 18.98 113.55 73.07 -98.85 121.49 89.00 0.55 10.45 35.81 48.56 4.12 9.62 1.32 0.00 0.15 0.41 71 P C C 80.86 4.83 12.07 18.62 111.01 -121.90 -68.07 143.64 74.89 1.33 23.78 58.70 6.27 9.87 14.72 9.07 0.00 0.80 0.57 72 R C C 148.48 4.34 11.86 17.69 113.06 -131.53 -88.24 130.95 61.05 10.71 28.24 42.72 8.18 9.71 17.57 11.06 0.04 7.40 3.33 73 Y C C 115.03 7.43 9.23 18.02 113.99 -138.53 -91.91 134.50 56.83 16.50 26.67 37.75 9.98 8.82 18.39 8.74 0.14 11.04 5.14 74 D C C 85.61 4.19 10.50 16.28 110.45 -149.72 -92.93 113.41 69.48 10.62 19.90 48.87 10.61 9.32 14.46 6.18 0.04 7.10 3.43 75 E C T 131.17 3.04 9.53 14.15 98.34 -157.61 -72.38 -25.74 69.16 3.06 27.78 25.42 15.01 29.79 15.52 11.15 0.07 1.66 1.37 76 E C T 147.96 1.29 10.16 11.88 96.70 53.90 -74.31 -21.89 75.66 1.17 23.17 15.28 14.69 45.93 11.68 11.05 0.03 0.60 0.73 77 N C T 101.62 3.42 9.27 14.09 101.16 42.37 -90.32 10.26 76.89 2.23 20.88 21.18 18.07 38.67 8.58 11.15 0.04 1.15 1.16 78 D C C 101.80 4.25 10.04 16.00 100.04 -147.41 -55.95 32.23 81.81 4.98 13.21 41.38 18.78 22.36 5.74 6.97 0.01 3.24 1.52 79 T C C 83.39 4.16 11.81 17.39 111.49 123.24 -97.99 104.81 71.17 17.74 11.08 42.18 16.90 13.02 5.18 5.65 0.05 13.41 3.61 80 F C C 110.70 8.20 10.41 19.77 115.44 -132.74 -95.47 128.40 66.26 25.27 8.47 42.62 16.63 7.08 5.02 3.85 0.09 18.27 6.44 81 V C C 79.01 6.57 12.73 20.90 118.77 -157.04 -104.72 133.19 76.54 18.36 5.09 58.03 14.61 3.24 3.65 1.79 0.01 16.26 2.41 82 P C C 80.24 6.34 12.84 20.69 112.64 -114.23 -68.61 142.67 81.11 12.56 6.33 68.31 7.13 5.21 3.88 2.39 0.00 11.28 1.81 83 F C C 117.28 7.65 11.10 19.91 110.75 -146.90 -90.04 123.53 78.76 9.85 11.39 58.13 12.22 7.98 7.93 3.90 0.01 7.02 2.81 84 S C C 67.78 4.49 12.35 18.03 115.67 -129.82 -87.07 138.89 76.80 7.15 16.05 56.20 11.12 8.94 11.78 4.91 0.01 4.96 2.09 85 Q C C 115.93 4.82 11.66 17.74 98.66 -107.61 -73.14 -27.29 65.54 3.52 30.95 44.77 10.45 9.92 24.77 6.78 0.02 2.10 1.19 86 A C C 66.51 4.03 11.73 17.14 97.34 58.52 -70.95 -33.96 58.72 2.16 39.11 36.69 10.71 11.72 32.28 6.59 0.02 1.20 0.79 87 T C C 76.75 4.26 12.62 18.14 97.27 53.67 -74.45 -29.36 55.57 1.76 42.66 37.80 7.94 10.20 36.14 6.27 0.01 0.95 0.68 88 A H H 52.06 7.17 9.97 18.69 94.62 60.79 -66.98 -35.73 34.01 1.49 64.50 19.05 6.66 10.24 53.07 9.55 0.04 0.88 0.52 89 D H H 92.95 3.33 11.96 16.58 94.94 56.71 -71.23 -30.55 32.04 1.58 66.38 16.21 5.71 11.17 53.75 11.59 0.06 1.05 0.48 90 H H H 122.86 2.70 11.57 15.36 95.09 59.15 -70.84 -32.52 30.35 2.81 66.84 15.12 5.78 10.20 50.60 15.52 0.09 1.97 0.72 91 I H H 102.30 4.73 9.51 15.70 95.82 54.71 -73.38 -32.62 35.55 4.34 60.11 17.45 6.79 13.17 46.76 11.37 0.19 3.05 1.23 92 F C C 130.93 4.44 8.58 14.54 100.03 54.38 -86.65 -3.17 55.13 3.00 41.86 36.63 2.58 16.66 35.20 5.76 0.01 1.81 1.35 93 Q C C 126.03 3.10 11.64 16.15 104.26 110.13 -84.09 48.75 99.82 0.06 0.11 99.55 0.12 0.20 0.09 0.01 0.00 0.03 0.01