# 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 114.53 5.30 11.50 18.26 115.08 -145.80 -87.44 135.89 99.42 0.20 0.38 99.09 0.23 0.21 0.27 0.04 0.00 0.09 0.06 1 A C C 77.92 3.45 9.51 14.55 108.17 -122.62 -76.25 129.03 67.67 2.18 30.14 62.81 1.25 4.72 26.85 2.35 0.00 1.14 0.87 2 T C C 99.30 2.62 8.52 12.71 107.39 -143.10 -84.80 109.91 56.18 2.67 41.15 42.65 6.62 6.93 36.87 4.45 0.01 1.66 0.80 3 S H H 77.62 3.11 8.71 13.52 104.94 -142.53 -83.46 53.05 42.75 3.12 54.14 31.78 6.06 6.19 46.66 6.37 0.01 2.20 0.73 4 L H H 114.17 3.11 9.64 14.32 106.03 68.64 -87.44 48.43 36.07 4.17 59.76 26.79 5.40 5.76 51.71 6.36 0.02 3.10 0.86 5 V H H 97.54 3.51 10.49 15.48 104.78 60.02 -84.88 23.86 34.59 4.86 60.55 26.02 5.17 5.47 54.17 4.60 0.03 3.54 0.99 6 R H H 143.80 3.95 11.21 16.62 103.76 49.76 -81.33 -8.98 36.16 3.71 60.14 26.37 5.34 6.03 55.30 3.58 0.02 2.54 0.82 7 S H H 63.38 5.14 11.15 17.77 101.15 59.02 -76.09 -24.72 36.87 2.00 61.14 25.58 5.30 6.84 57.62 2.92 0.01 1.21 0.52 8 G H H 44.54 3.42 13.06 17.42 97.48 53.72 -65.73 -37.84 32.12 1.32 66.57 21.10 4.99 7.25 62.49 3.03 0.02 0.75 0.37 9 F H H 133.28 2.81 13.01 16.57 95.99 52.17 -71.05 -35.28 23.46 1.19 75.36 16.40 3.62 5.34 70.45 3.14 0.02 0.72 0.30 10 L H H 92.82 5.17 12.12 18.58 95.55 53.90 -69.77 -37.25 16.58 1.01 82.40 11.51 2.64 4.24 77.35 3.32 0.02 0.68 0.23 11 R H H 138.89 4.04 13.24 18.54 95.74 54.11 -70.51 -35.09 13.47 0.81 85.71 8.53 2.28 4.25 80.51 3.64 0.02 0.57 0.18 12 T H H 86.73 2.82 13.52 17.05 95.96 53.60 -72.29 -33.40 12.74 0.71 86.55 7.01 2.27 4.92 80.68 4.41 0.03 0.51 0.18 13 A H H 67.25 3.80 12.40 17.40 96.24 53.54 -70.85 -31.56 14.78 0.70 84.52 7.27 2.66 6.29 78.01 5.06 0.04 0.48 0.20 14 L H H 102.55 4.97 11.68 17.88 99.58 51.72 -76.86 -25.02 21.79 1.07 77.14 10.48 4.02 9.36 69.99 5.05 0.07 0.65 0.38 15 R H H 156.64 3.00 11.94 16.27 100.18 60.78 -79.65 -15.34 32.16 1.26 66.58 15.11 6.41 13.22 59.50 4.47 0.08 0.64 0.57 16 G H H 53.32 2.73 11.92 15.79 102.86 53.13 -70.03 -13.98 44.42 1.03 54.54 17.70 8.92 19.99 46.79 5.48 0.09 0.49 0.53 17 G C H 51.25 3.34 11.73 16.34 107.67 39.23 -46.50 -19.53 53.39 1.29 45.32 23.62 11.67 20.35 35.54 7.49 0.07 0.58 0.70 18 A C C 75.92 3.84 10.13 15.57 107.83 56.59 -80.50 122.03 57.51 1.89 40.60 34.08 11.01 13.57 30.67 8.77 0.03 0.89 1.00 19 R C C 166.02 2.75 10.48 14.78 109.55 -137.04 -84.63 112.56 61.24 2.46 36.29 35.74 12.02 14.39 26.12 9.20 0.05 1.16 1.32 20 G C C 53.96 3.21 10.51 15.22 110.78 -11.30 -74.11 150.07 68.77 2.12 29.10 39.80 13.04 16.20 18.88 9.89 0.02 1.03 1.15 21 S C C 86.54 2.70 10.13 14.27 106.79 -96.37 -86.45 62.74 74.18 2.68 23.13 42.91 16.97 14.40 14.08 8.90 0.02 1.28 1.46 22 Q C C 134.50 2.38 10.25 14.16 111.01 100.86 -90.22 124.05 81.19 3.01 15.80 49.72 22.30 9.22 9.93 5.69 0.01 1.36 1.76 23 V C C 103.57 3.95 9.05 15.05 116.80 -139.26 -91.38 132.68 88.27 2.16 9.58 63.40 19.77 5.01 6.37 3.24 0.00 1.04 1.17 24 P C C 92.80 4.27 9.33 15.63 114.27 -110.47 -70.05 145.41 88.32 2.07 9.60 72.82 8.04 7.50 5.29 4.17 0.00 1.25 0.93 25 K C C 159.11 1.94 10.60 14.14 113.34 -133.22 -91.34 133.85 84.41 5.93 9.66 62.28 14.03 7.62 5.18 4.62 0.01 3.31 2.97 26 R C C 153.16 4.49 8.86 15.33 117.36 -142.87 -95.52 136.17 83.74 7.86 8.39 63.28 14.11 5.90 4.68 3.97 0.01 4.83 3.23 27 N C C 109.57 3.18 10.46 15.34 114.17 -142.78 -93.73 132.68 82.82 8.43 8.75 66.49 9.45 6.23 4.96 4.09 0.00 5.28 3.49 28 F C C 147.82 4.16 9.36 15.13 100.05 -147.23 -78.82 -11.79 73.03 5.59 21.38 43.53 14.04 15.59 10.79 10.46 0.03 3.07 2.49 29 S C C 84.31 2.28 10.78 14.23 100.44 71.49 -79.62 -7.77 68.82 4.06 27.12 33.38 15.69 20.70 12.93 13.27 0.06 2.07 1.91 30 S C C 72.80 4.07 10.40 15.95 102.20 70.23 -85.50 3.41 64.64 3.04 32.32 32.92 15.38 17.09 16.01 15.47 0.05 1.43 1.65 31 A C C 68.66 4.99 10.27 16.75 104.58 91.69 -83.41 40.00 63.87 2.51 33.62 30.11 15.68 19.16 18.34 14.09 0.05 1.15 1.41 32 G C C 47.76 4.06 11.59 16.90 105.04 54.96 -72.39 -15.89 67.70 2.82 29.48 34.03 15.63 19.02 16.57 11.90 0.04 1.32 1.50 33 H C C 129.34 3.71 10.99 16.10 103.72 68.30 -85.67 4.12 68.42 3.31 28.27 41.19 15.22 12.26 18.95 9.11 0.03 1.57 1.67 34 H C C 121.66 4.36 11.19 16.97 103.92 86.08 -82.60 2.59 62.18 2.27 35.55 36.48 13.91 12.41 27.76 7.26 0.02 1.08 1.07 35 D C H 94.63 3.57 12.41 17.19 104.18 58.83 -81.10 5.50 56.09 1.27 42.65 28.88 12.28 16.10 34.05 7.46 0.03 0.59 0.62 36 D C H 87.52 4.57 12.22 18.08 100.39 63.40 -77.33 -15.55 50.61 0.99 48.39 28.50 8.73 14.60 40.31 6.90 0.02 0.46 0.49 37 A H H 62.35 4.28 12.35 18.06 95.37 84.47 -68.74 -33.48 33.72 0.67 65.61 21.62 5.47 8.01 59.39 4.90 0.01 0.32 0.27 38 Y H H 138.47 2.53 14.73 17.60 94.59 53.78 -67.55 -39.62 22.09 0.53 77.38 13.72 3.76 5.88 73.00 3.18 0.01 0.27 0.18 39 E H H 94.39 4.37 15.05 20.37 93.38 51.23 -67.25 -39.42 17.63 0.40 81.97 11.40 2.57 4.73 78.50 2.45 0.01 0.20 0.13 40 T H H 58.30 5.83 14.24 21.57 92.62 52.31 -65.48 -40.74 6.93 0.11 92.97 3.85 1.11 2.27 91.45 1.23 0.00 0.05 0.03 41 A H H 56.34 3.15 16.43 20.02 92.17 51.37 -64.98 -40.88 3.51 0.04 96.45 1.59 0.47 1.47 95.63 0.81 0.00 0.02 0.01 42 K H H 110.93 3.05 16.94 20.05 92.56 50.45 -65.82 -40.91 2.29 0.02 97.69 0.92 0.26 1.07 97.14 0.60 0.00 0.01 0.01 43 W H H 110.00 7.14 15.39 23.30 92.59 50.45 -65.44 -41.15 1.02 0.01 98.97 0.31 0.10 0.55 98.70 0.34 0.00 0.00 0.00 44 E H H 91.46 6.01 16.48 23.41 92.25 51.32 -64.63 -40.93 0.67 0.00 99.33 0.15 0.05 0.39 99.24 0.17 0.00 0.00 0.00 45 K H H 115.34 2.40 18.29 20.18 92.23 49.82 -65.24 -41.05 0.70 0.00 99.30 0.13 0.06 0.45 99.20 0.17 0.00 0.00 0.00 46 I H H 85.02 4.00 17.51 21.62 92.17 49.11 -65.01 -42.29 0.55 0.00 99.45 0.09 0.04 0.36 99.34 0.16 0.00 0.00 0.00 47 T H H 49.42 8.82 15.21 24.81 92.58 50.03 -65.40 -41.37 0.94 0.00 99.06 0.12 0.06 0.67 98.87 0.28 0.00 0.00 0.00 48 Y H H 128.82 3.38 17.85 21.43 92.50 48.50 -65.60 -40.72 1.30 0.00 98.70 0.07 0.06 1.14 98.35 0.38 0.00 0.00 0.00 49 L H H 101.40 1.84 18.83 19.40 92.55 47.36 -66.36 -40.03 4.00 0.00 95.99 0.11 0.15 3.85 95.32 0.56 0.00 0.00 0.00 50 G H H 28.61 6.72 15.83 23.37 92.31 49.79 -66.37 -40.51 7.97 0.01 92.02 0.25 0.34 7.44 91.50 0.45 0.01 0.00 0.01 51 I H H 71.89 8.01 15.88 24.36 92.23 51.42 -64.74 -42.25 1.00 0.00 98.99 0.12 0.10 0.64 99.00 0.13 0.00 0.00 0.00 52 V H H 88.52 2.04 19.29 20.35 91.83 49.45 -64.25 -42.13 0.29 0.00 99.71 0.04 0.02 0.18 99.67 0.09 0.00 0.00 0.00 53 S H H 59.61 2.76 18.43 20.74 92.07 48.97 -65.02 -41.31 0.26 0.00 99.74 0.03 0.01 0.16 99.70 0.09 0.00 0.00 0.00 54 C H H 50.05 8.48 16.03 24.97 92.35 49.76 -65.43 -41.28 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 55 T H H 68.83 5.13 17.87 23.26 91.91 50.21 -64.33 -41.60 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 56 G H H 39.47 1.88 18.79 19.52 91.58 50.29 -64.04 -42.10 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 57 L H H 81.33 4.33 17.52 22.07 92.08 49.68 -64.99 -41.09 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 58 A H H 41.00 7.97 14.58 23.57 91.64 51.62 -63.76 -41.25 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 59 I H H 97.65 2.17 17.29 18.97 91.62 50.01 -64.00 -41.49 0.18 0.00 99.82 0.01 0.01 0.14 99.80 0.05 0.00 0.00 0.00 60 Y H H 130.73 1.84 16.67 17.86 92.07 49.62 -64.85 -41.29 0.48 0.00 99.52 0.03 0.02 0.39 99.43 0.13 0.00 0.00 0.00 61 N H H 66.60 6.68 13.19 21.03 92.64 49.93 -66.43 -38.39 2.82 0.01 97.17 0.17 0.15 2.40 96.85 0.43 0.00 0.00 0.00 62 L H H 94.21 5.06 12.72 18.93 92.65 51.88 -68.17 -32.45 9.60 0.03 90.37 0.63 0.66 8.13 89.41 1.13 0.02 0.01 0.02 63 S H H 83.22 1.63 13.38 15.02 94.79 53.34 -79.53 -17.00 28.03 0.31 71.66 3.83 3.63 21.12 69.06 1.95 0.10 0.12 0.20 64 K C T 138.77 2.66 11.98 15.70 101.74 68.64 -84.73 3.67 65.01 0.99 34.00 13.95 13.78 36.92 31.57 2.75 0.06 0.35 0.62 65 G C C 45.47 4.39 11.75 17.75 116.85 -129.53 86.34 168.50 89.09 1.10 9.82 39.14 15.70 34.91 6.52 2.62 0.00 0.45 0.67 66 H C C 100.62 7.08 9.05 17.59 116.03 -106.80 -94.51 133.24 95.12 1.33 3.55 74.61 16.66 3.54 1.69 1.80 0.00 0.50 1.20 67 P C T 97.27 2.90 11.74 15.95 104.52 -116.16 -68.10 119.43 84.97 0.78 14.25 35.57 12.49 36.69 2.67 11.76 0.00 0.39 0.43 68 H C T 133.03 3.83 9.46 14.82 105.15 -98.68 -87.56 38.49 81.66 1.17 17.17 27.42 15.81 38.65 3.05 13.83 0.00 0.55 0.69 69 T C C 80.72 5.20 8.01 14.85 113.41 119.21 -94.12 123.30 82.77 1.81 15.42 49.82 20.20 12.27 3.40 12.24 0.00 0.76 1.30 70 E C C 152.33 1.46 10.70 12.77 100.70 -129.33 -80.88 -15.92 92.22 1.08 6.71 43.19 37.71 11.55 1.91 4.45 0.00 0.44 0.74 71 E C S 140.04 1.99 10.18 13.39 115.50 39.39 -102.70 126.26 97.52 0.96 1.52 37.89 57.33 2.50 0.37 0.96 0.00 0.34 0.61 72 P C C 80.45 6.43 8.46 16.67 116.08 -110.54 -69.30 147.36 99.01 0.54 0.45 87.99 10.10 0.92 0.16 0.24 0.00 0.22 0.36 73 P C C 83.43 4.30 10.86 16.87 114.43 -103.66 -67.47 150.05 98.87 0.64 0.48 93.18 4.65 1.09 0.15 0.25 0.00 0.27 0.42 74 A C C 86.21 2.23 11.81 15.48 113.45 -103.25 -69.63 142.25 98.14 1.34 0.52 90.44 6.56 0.87 0.19 0.28 0.00 0.44 1.23 75 Y C C 98.13 10.02 7.02 17.68 111.14 -117.54 -87.20 121.99 98.13 1.02 0.85 92.48 4.87 0.73 0.30 0.38 0.00 0.32 0.91 76 P C T 99.55 2.21 12.81 15.74 95.14 -142.82 -66.08 -23.73 85.85 0.54 13.61 11.28 12.35 61.46 2.66 11.56 0.00 0.28 0.40 77 Y C T 130.62 5.77 9.99 16.94 99.67 48.32 -92.03 5.73 82.23 1.15 16.62 10.56 10.72 59.89 3.77 13.67 0.01 0.63 0.75 78 L C T 87.36 7.65 10.04 18.90 102.19 100.65 -74.59 11.81 74.07 3.29 22.64 24.09 18.66 31.96 3.70 18.16 0.02 1.50 1.90 79 H C T 130.13 4.07 12.57 17.71 101.52 50.88 -91.73 32.73 76.44 6.05 17.51 27.90 18.25 31.37 3.65 12.95 0.03 3.07 2.77 80 I C C 90.29 6.09 10.86 18.74 114.32 130.09 -94.51 127.06 77.90 14.87 7.23 55.15 16.61 5.22 3.35 3.72 0.02 6.26 9.66 81 R C C 122.22 7.48 9.35 18.25 114.91 -139.58 -88.40 134.72 86.35 10.25 3.40 72.21 8.77 4.35 1.63 1.70 0.00 5.29 6.05 82 N C C 129.33 1.76 12.48 14.92 99.45 -159.68 -98.62 3.49 93.56 4.48 1.97 56.73 31.13 5.82 0.64 1.23 0.00 2.03 2.44 83 K C C 116.93 3.59 11.20 16.69 123.18 94.61 -99.84 148.33 95.24 4.19 0.57 47.80 46.16 1.62 0.20 0.33 0.00 1.73 2.17 84 E C C 144.93 2.09 14.25 17.26 113.86 -102.27 -72.45 140.85 95.64 4.03 0.32 87.21 7.20 0.77 0.12 0.19 0.00 1.50 3.01 85 F C C 65.23 13.40 8.11 21.45 117.50 -119.85 -84.08 142.52 96.22 3.59 0.19 89.00 5.66 0.71 0.07 0.10 0.00 0.93 3.53 86 P C T 89.07 4.46 13.50 19.36 92.32 -124.87 -64.15 -25.72 99.42 0.18 0.40 2.25 10.36 86.77 0.03 0.38 0.00 0.10 0.11 87 W C T 142.08 5.80 11.34 18.47 100.14 45.33 -101.70 -1.17 98.92 0.46 0.62 1.84 12.57 84.57 0.06 0.52 0.00 0.22 0.22 88 G C S 25.68 5.87 12.86 20.35 131.88 -81.12 119.62 -177.26 92.28 7.03 0.69 31.25 58.70 1.90 0.14 0.48 0.00 2.18 5.36 89 P C T 111.98 2.06 13.57 16.27 95.00 -48.83 -68.40 -19.22 96.53 1.10 2.38 10.59 16.44 69.06 0.23 2.51 0.00 0.63 0.55 90 D C T 98.56 3.52 13.41 18.05 97.30 46.75 -94.93 10.95 95.83 1.48 2.68 17.14 16.27 61.99 0.36 2.65 0.00 0.76 0.82 91 G C C 14.76 11.42 11.42 24.33 121.86 142.89 -79.75 167.74 88.23 6.89 4.88 47.73 31.67 7.30 1.77 2.72 0.00 1.79 7.02 92 L C T 73.41 11.64 14.56 26.48 93.40 -77.75 -67.52 -27.30 76.92 0.95 22.14 4.11 12.88 59.75 4.87 16.89 0.04 0.44 1.02 93 F C T 104.07 8.10 14.39 23.27 97.52 57.01 -84.33 -13.77 76.44 0.85 22.71 4.28 10.43 61.47 5.69 16.83 0.04 0.41 0.84 94 E C T 106.67 5.49 13.85 20.50 100.34 65.44 -87.73 6.95 70.78 3.80 25.41 22.27 18.31 31.44 7.05 16.49 0.08 1.52 2.84 95 T C C 57.49 8.50 9.12 19.11 116.08 106.78 -100.36 130.55 85.83 5.13 9.04 57.73 21.38 5.79 4.53 4.36 0.00 1.86 4.35 96 K C C 146.64 2.66 11.79 15.88 103.17 -144.99 -74.58 17.77 73.08 3.38 23.54 35.51 13.53 25.01 5.32 17.26 0.01 1.68 1.66 97 K C C 134.99 3.96 9.44 15.05 105.26 78.96 -85.81 49.02 75.57 3.09 21.35 31.66 14.29 30.91 3.91 16.26 0.01 1.55 1.41 98 H C C 121.21 4.78 8.03 14.51 111.04 85.77 -98.97 103.86 82.78 2.91 14.31 66.99 4.35 12.02 3.10 10.48 0.00 1.54 1.52 99 H C C 132.74 4.03 10.34 16.13 109.71 -164.81 -90.85 107.99 99.65 0.16 0.19 99.07 0.30 0.37 0.07 0.05 0.00 0.09 0.04