# 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 92.43 8.51 13.90 23.13 117.45 -159.90 -103.86 140.19 99.05 0.59 0.36 98.80 0.28 0.18 0.27 0.04 0.00 0.30 0.14 1 A C C 64.73 6.14 12.08 19.23 100.18 -130.42 -73.33 -18.35 61.64 6.28 32.07 55.82 1.91 4.43 29.54 2.43 0.00 2.62 3.25 2 A H H 68.21 4.66 10.64 16.60 98.76 63.67 -71.85 -28.23 28.60 3.41 67.99 18.28 5.39 7.16 55.64 10.06 0.06 2.77 0.64 3 S H H 71.28 3.68 11.79 16.58 100.75 61.15 -78.12 -14.24 18.98 4.58 76.43 11.72 3.13 5.55 58.50 16.36 0.05 4.17 0.51 4 L H H 101.66 4.59 11.12 16.97 100.67 66.63 -79.01 -15.58 13.54 4.13 82.33 6.83 2.45 5.19 61.92 19.25 0.07 3.88 0.41 5 L H H 101.93 5.41 10.81 17.41 103.90 66.81 -84.95 13.13 18.82 5.59 75.59 9.11 3.47 7.53 60.01 13.95 0.18 4.93 0.82 6 L H H 106.66 4.49 10.79 16.74 106.68 66.93 -87.50 61.85 34.30 7.68 58.02 15.21 6.25 14.16 47.73 8.76 0.32 5.97 1.61 7 R C H 153.78 3.76 11.19 16.42 108.81 58.51 -89.38 106.14 50.66 8.35 40.99 20.37 8.48 22.36 34.94 5.64 0.24 5.94 2.03 8 Q C T 122.21 4.03 10.81 16.25 110.60 71.88 -92.72 107.82 61.64 8.49 29.87 22.82 12.71 26.05 25.50 4.85 0.23 5.52 2.32 9 G C C 49.33 4.21 11.84 17.23 111.39 1.88 88.20 5.02 69.18 6.44 24.38 27.09 16.31 26.05 18.65 5.90 0.12 4.13 1.75 10 R C C 155.50 3.89 11.96 17.06 109.02 -36.43 -84.98 102.40 60.30 8.20 31.50 31.81 12.47 16.26 23.64 7.97 0.13 5.60 2.13 11 A C H 73.46 4.95 11.77 17.97 107.33 -146.22 -85.76 74.22 53.13 7.93 38.94 26.94 10.90 15.78 28.26 10.37 0.18 5.66 1.92 12 G C H 44.37 6.02 13.62 20.55 110.92 47.39 -95.22 152.49 51.73 8.94 39.34 26.48 10.85 14.57 28.54 10.85 0.16 6.74 1.83 13 A C H 64.75 6.47 13.18 20.78 111.27 -102.32 -93.98 127.10 46.35 14.31 39.34 29.54 8.59 8.37 30.62 8.85 0.08 11.96 2.00 14 L C H 89.14 8.65 13.25 22.83 114.02 -148.31 -97.49 129.59 39.63 21.76 38.61 29.23 5.87 4.86 32.86 5.58 0.04 19.60 1.96 15 K H H 114.66 7.33 15.19 23.39 116.02 -152.85 -100.35 133.45 32.95 28.54 38.51 23.92 4.58 3.64 34.88 3.83 0.03 27.87 1.25 16 T H H 68.18 9.41 14.26 24.35 116.74 -159.31 -99.62 134.05 23.99 36.00 40.00 16.15 3.83 3.00 36.83 3.69 0.02 35.44 1.04 17 V H H 77.70 8.82 14.76 24.17 115.83 -159.75 -99.62 130.33 17.28 37.03 45.69 10.73 3.13 2.68 41.39 4.32 0.02 36.92 0.81 18 L H H 88.89 8.22 15.16 24.02 115.49 -148.58 -96.90 131.84 19.15 34.92 45.93 11.38 3.07 3.76 41.67 4.64 0.02 34.58 0.88 19 L H H 86.36 8.91 14.33 23.81 112.12 -146.72 -92.95 126.79 27.55 27.72 44.73 16.11 4.62 6.19 40.14 4.67 0.05 26.93 1.29 20 E H H 101.45 8.02 13.97 22.66 108.64 -145.75 -92.31 105.38 38.87 18.59 42.54 21.54 7.15 10.21 37.30 4.84 0.11 17.02 1.83 21 A C H 61.08 7.21 13.34 21.49 105.56 43.34 -83.57 44.22 54.10 7.39 38.51 21.18 10.89 22.18 31.90 6.29 0.17 5.92 1.47 22 G C H 43.67 6.01 14.20 20.98 103.40 -90.97 -41.41 -6.26 55.94 5.10 38.97 18.06 10.64 27.17 29.76 9.09 0.19 3.72 1.38 23 V C H 82.35 7.37 12.06 20.44 105.98 88.74 -87.28 12.72 46.23 12.24 41.53 19.34 9.86 18.18 28.49 11.62 0.56 9.13 2.83 24 F C H 127.34 5.84 11.61 18.60 106.82 70.00 -89.63 41.01 43.53 17.29 39.17 18.39 9.67 17.12 26.66 10.90 0.78 12.60 3.89 25 R C T 156.40 3.90 12.47 17.63 106.35 54.90 -89.90 84.01 62.08 9.95 27.97 17.02 11.95 32.64 19.98 8.39 0.30 7.15 2.57 26 G C T 50.90 4.15 13.57 18.80 107.29 -51.25 84.51 7.26 83.19 6.41 10.40 23.27 20.28 40.45 5.68 4.24 0.05 4.61 1.42 27 V C C 90.83 6.66 12.48 20.32 112.48 100.42 -96.91 116.71 78.02 13.15 8.84 46.32 22.56 9.28 5.85 3.31 0.10 7.70 4.89 28 A C C 57.42 8.24 12.23 21.71 118.24 -147.75 -94.07 138.24 85.08 7.57 7.34 67.37 13.93 3.33 5.72 2.18 0.01 4.93 2.53 29 P C C 77.44 7.68 13.79 22.47 110.91 -110.83 -70.52 145.00 74.58 7.09 18.33 56.19 9.24 8.30 12.99 6.09 0.02 5.21 1.96 30 A C C 68.97 7.11 13.97 21.86 109.20 -132.15 -86.85 120.21 53.16 10.43 36.41 30.09 13.18 10.61 23.29 12.79 0.19 7.38 2.46 31 V H H 81.74 8.27 13.38 22.46 114.58 -136.26 -93.76 129.81 41.90 13.29 44.81 26.08 8.97 7.88 26.50 17.55 0.11 11.01 1.91 32 S H C 61.97 7.45 14.95 23.29 113.90 -133.17 -89.60 132.54 40.49 14.72 44.79 27.96 6.35 7.16 25.51 18.26 0.05 12.81 1.90 33 L C H 88.92 9.24 14.02 23.78 110.26 -136.10 -91.57 110.36 41.54 17.98 40.48 22.94 8.98 11.17 24.32 14.98 0.23 14.09 3.28 34 S C C 55.89 8.64 14.01 23.40 112.19 59.77 -99.38 115.90 49.61 19.60 30.79 28.21 11.28 11.19 21.53 8.70 0.35 13.85 4.88 35 A C C 59.21 8.44 12.93 22.19 106.23 79.63 -83.41 65.30 58.90 14.31 26.79 32.27 15.66 12.25 19.17 7.00 0.29 9.11 4.25 36 E C C 125.21 4.22 14.08 19.43 108.89 68.74 -86.83 100.59 66.26 9.10 24.64 36.11 15.15 15.66 16.54 7.93 0.10 5.56 2.94 37 S C T 70.47 6.00 11.87 19.05 109.24 -106.16 -80.11 112.42 74.53 4.27 21.20 27.20 16.53 31.67 12.36 8.18 0.06 2.42 1.59 38 G C C 49.84 4.53 13.16 18.86 105.72 12.18 85.47 -0.45 81.00 4.20 14.80 30.40 21.48 30.24 6.61 7.36 0.03 2.25 1.62 39 K C C 120.68 5.39 11.95 18.84 113.00 115.70 -88.58 132.48 80.29 7.35 12.36 52.33 19.46 8.26 6.88 5.55 0.03 3.65 3.83 40 N C C 92.75 5.98 11.36 18.71 109.94 -121.62 -89.47 128.77 78.98 7.93 13.09 63.83 7.42 6.95 6.49 6.74 0.01 4.49 4.08 41 E C C 123.93 5.58 10.68 17.57 101.57 -142.07 -81.11 4.70 77.96 5.89 16.15 47.31 15.37 15.62 5.69 10.07 0.01 3.24 2.69 42 K C C 149.43 2.31 11.87 15.34 106.15 72.04 -85.34 88.52 83.80 3.88 12.32 38.45 21.93 24.38 3.07 8.48 0.01 2.06 1.62 43 G C C 50.00 3.77 11.98 17.18 113.30 -72.38 87.50 161.03 92.04 3.20 4.76 58.61 19.19 14.01 0.83 4.24 0.00 1.66 1.45 44 L C C 91.83 7.48 9.32 18.02 118.01 -89.32 -90.30 138.70 96.19 3.58 0.23 77.48 18.44 0.37 0.10 0.12 0.00 1.39 2.11 45 P C C 90.24 3.41 12.01 16.99 115.36 -105.88 -68.24 147.85 98.80 1.11 0.10 95.71 2.95 0.20 0.03 0.05 0.00 0.50 0.56 46 P C C 103.18 3.71 10.19 15.82 111.62 -102.23 -66.78 146.47 98.38 1.24 0.38 89.97 7.18 1.05 0.12 0.24 0.00 0.47 0.96 47 N C C 104.15 4.56 9.27 15.49 113.71 -112.95 -89.56 128.67 98.66 1.00 0.33 87.69 10.31 0.60 0.13 0.19 0.00 0.41 0.68 48 P C C 101.21 2.97 9.74 14.46 111.16 -115.61 -70.39 143.92 96.12 1.49 2.38 89.49 4.40 2.22 0.59 1.73 0.00 0.69 0.88 49 K C C 152.01 2.37 9.30 13.25 111.17 -106.62 -81.48 132.65 93.66 3.12 3.22 81.66 7.65 3.81 0.90 2.38 0.00 1.45 2.14 50 K C C 146.17 3.19 8.34 13.27 111.42 -128.83 -86.91 126.31 92.92 4.19 2.89 78.20 9.89 4.23 0.82 2.16 0.00 1.95 2.74 51 Q C C 136.49 2.37 8.66 12.72 110.67 -148.65 -92.47 122.52 94.72 3.88 1.40 78.01 13.76 2.37 0.50 0.89 0.00 1.65 2.82 52 S C C 82.49 2.40 8.88 12.82 117.79 -119.02 -95.09 142.19 98.22 1.53 0.25 80.78 17.08 0.39 0.12 0.11 0.00 0.67 0.86 53 P C C 105.50 2.42 9.57 13.72 114.64 -102.68 -69.81 147.11 98.90 0.72 0.39 94.34 4.01 0.63 0.18 0.15 0.00 0.37 0.32 54 P C C 95.24 4.16 7.73 13.96 114.11 -105.10 -68.56 146.51 97.20 1.31 1.49 89.89 4.61 2.66 0.53 0.91 0.00 0.56 0.85 55 K C C 160.96 1.61 9.72 12.42 110.87 -122.61 -83.50 131.90 95.70 2.78 1.53 76.89 16.22 2.20 0.66 0.80 0.00 1.04 2.18 56 K C C 152.72 2.14 8.84 12.78 115.42 -112.54 -90.93 132.46 97.42 1.83 0.75 81.99 14.88 0.63 0.45 0.29 0.00 0.95 0.81 57 P C C 93.80 4.04 7.61 13.61 113.83 -111.44 -68.30 147.43 95.15 3.20 1.65 92.02 2.25 1.11 0.71 0.72 0.00 1.58 1.62 58 V C C 124.54 1.52 8.53 11.38 111.03 -115.75 -82.78 133.42 94.16 3.52 2.32 87.45 4.61 1.94 1.05 1.14 0.00 1.67 2.15 59 S C C 88.19 1.99 8.06 11.71 115.13 -115.22 -87.43 140.61 96.12 2.24 1.64 85.56 8.06 2.38 0.68 0.89 0.00 1.19 1.23 60 A C C 87.79 1.98 8.82 12.32 114.78 -109.59 -81.44 142.85 96.56 2.35 1.08 87.05 7.99 1.34 0.48 0.55 0.00 1.03 1.57 61 A C C 83.10 2.66 8.52 13.10 116.54 -104.55 -76.21 146.35 98.44 1.33 0.23 91.42 6.66 0.35 0.11 0.10 0.00 0.62 0.76 62 P C C 100.19 2.91 8.84 13.68 114.41 -102.28 -66.04 147.82 98.74 1.04 0.22 96.31 2.09 0.42 0.08 0.09 0.00 0.54 0.48 63 T C C 112.40 1.84 9.15 12.55 111.05 -106.99 -78.84 139.72 97.46 2.20 0.34 90.09 6.55 0.63 0.13 0.18 0.00 0.87 1.54 64 E C C 134.96 3.03 9.22 13.99 117.41 -115.98 -92.45 139.16 97.23 2.39 0.38 88.80 8.04 0.46 0.17 0.19 0.00 1.14 1.20 65 P C C 97.57 3.69 10.63 15.81 110.10 -110.36 -67.62 144.97 92.80 4.01 3.19 81.66 5.91 4.79 0.93 2.37 0.00 1.96 2.38 66 F C C 110.79 8.58 7.93 17.32 113.70 -112.66 -89.29 132.25 90.04 5.65 4.31 71.66 10.39 6.88 1.37 3.11 0.00 2.44 4.14 67 D C C 101.19 3.43 11.58 16.23 111.02 -153.36 -100.01 110.11 90.48 4.72 4.80 72.27 11.56 5.86 1.94 2.95 0.00 2.10 3.32 68 N C C 92.70 6.47 8.50 16.35 103.89 -168.22 -97.01 35.84 84.01 2.93 13.06 48.95 16.64 18.53 4.92 7.83 0.00 1.38 1.75 69 T C T 108.69 1.94 10.81 13.56 97.49 103.85 -84.69 -8.63 80.19 1.70 18.11 23.70 19.26 37.86 7.04 10.32 0.02 0.87 0.94 70 T C T 102.62 2.14 11.29 13.95 101.99 53.30 -95.27 -3.62 76.28 3.74 19.99 24.26 20.82 32.26 8.65 10.26 0.06 1.95 1.75 71 Y C C 113.81 7.88 7.78 16.83 116.86 90.94 -98.06 130.85 73.43 7.78 18.79 48.20 15.84 8.97 10.92 7.81 0.03 3.96 4.27 72 K C C 138.37 3.00 12.60 16.98 116.22 -161.46 -97.35 137.04 70.15 10.58 19.27 52.85 9.72 6.95 11.71 7.54 0.02 6.41 4.80 73 N C C 86.86 6.78 11.45 19.50 111.17 -111.63 -81.15 126.76 63.48 10.76 25.77 45.62 9.91 7.77 11.64 14.21 0.03 6.95 3.88 74 L H G 90.32 7.94 11.48 20.49 96.85 -148.93 -75.51 -10.31 42.06 5.17 52.77 22.79 7.67 12.77 10.21 41.66 0.01 4.01 0.86 75 Q H G 106.75 5.97 12.48 19.68 97.18 74.02 -76.86 -8.88 41.80 5.62 52.58 17.76 8.97 17.12 9.39 41.41 0.02 4.26 1.06 76 H C G 119.43 5.16 12.65 18.92 103.13 58.45 -93.86 24.42 49.27 6.90 43.83 27.85 10.33 13.50 7.45 34.41 0.02 4.48 1.95 77 H C C 83.79 9.60 9.75 20.43 118.04 114.06 -99.15 132.75 80.53 10.43 9.04 59.95 13.71 6.29 4.20 4.85 0.03 5.48 5.49 78 D C C 101.48 3.68 13.61 18.52 109.16 -152.05 -97.32 105.35 82.12 12.12 5.76 63.15 10.18 8.30 2.53 3.15 0.01 5.88 6.80 79 Y C C 118.63 8.43 9.97 19.35 105.49 170.20 -98.67 23.60 85.63 7.19 7.17 47.57 19.14 19.56 2.63 3.95 0.02 3.56 3.57 80 S C S 71.42 4.67 11.56 17.53 103.66 107.78 -84.70 1.94 91.82 2.66 5.52 26.21 35.38 30.84 1.67 3.33 0.01 1.54 1.02 81 T C S 98.98 3.08 13.86 17.29 99.81 39.78 -92.86 -11.73 87.70 5.45 6.85 22.91 38.57 27.24 2.30 3.71 0.05 3.25 1.97 82 Y C C 92.96 8.78 10.96 21.09 122.21 67.84 -110.85 140.39 79.26 15.00 5.74 43.13 29.79 6.50 3.28 2.38 0.10 8.01 6.80 83 T C C 51.63 6.85 14.41 22.64 122.64 -143.81 -94.77 161.02 80.42 13.84 5.73 71.24 6.67 1.88 4.98 1.18 0.00 6.29 7.76 84 F H H 107.09 8.55 13.31 22.96 92.29 -108.49 -59.99 -35.29 27.97 1.77 70.26 6.97 4.74 15.93 53.25 17.00 0.33 1.19 0.57 85 L H H 92.17 5.00 14.79 20.52 91.98 56.51 -66.15 -35.95 22.36 1.32 76.32 4.44 3.23 13.77 58.04 18.96 0.20 1.01 0.35 86 D H H 64.76 6.86 13.80 21.98 92.75 52.80 -70.10 -28.93 16.05 1.24 82.71 5.27 2.58 7.58 59.03 24.30 0.06 0.92 0.26 87 L H H 69.04 9.44 12.08 22.53 93.26 60.79 -69.47 -30.31 24.35 1.78 73.87 8.02 4.23 12.15 55.27 18.45 0.18 1.16 0.53 88 N H H 95.58 4.95 14.42 20.13 96.57 56.26 -81.65 -9.04 40.34 3.33 56.33 16.02 6.06 18.78 42.85 12.80 0.19 2.11 1.20 89 L H H 85.49 5.88 12.04 19.41 102.88 86.56 -77.07 -6.35 43.76 4.81 51.42 23.11 8.67 13.35 38.82 11.40 0.15 3.00 1.49 90 D C H 84.19 4.32 14.59 19.82 103.00 57.22 -82.91 58.95 47.46 5.73 46.81 29.45 6.20 12.34 34.45 11.95 0.06 3.79 1.75 91 L H H 68.36 11.10 10.23 21.90 95.08 123.64 -72.43 -19.92 32.74 2.72 64.54 18.31 5.45 9.10 35.66 28.87 0.05 1.83 0.73 92 S H G 71.07 4.40 12.50 18.57 91.92 70.34 -66.54 -24.59 27.61 1.74 70.64 9.62 4.40 13.16 31.18 39.94 0.07 1.17 0.46 93 K H G 148.79 1.79 14.91 16.69 94.31 57.91 -77.61 -16.57 37.70 1.26 61.04 6.35 5.96 23.77 24.47 37.93 0.19 0.72 0.62 94 F C G 96.51 8.94 11.63 21.52 103.94 50.87 -103.51 24.43 53.40 3.16 43.44 16.31 11.75 25.73 15.62 27.18 0.16 1.80 1.45 95 R C C 126.88 7.19 13.82 22.46 117.30 127.01 -86.89 138.09 79.23 18.81 1.96 63.70 12.48 1.91 1.15 0.90 0.00 8.89 10.97 96 M C C 84.89 9.82 12.62 23.52 117.79 -137.41 -98.71 136.46 79.10 20.48 0.42 70.05 8.40 0.69 0.18 0.27 0.00 16.13 4.29 97 P C C 72.91 6.75 14.17 22.25 114.25 -106.79 -66.66 147.31 69.28 30.11 0.61 61.18 6.55 0.74 0.32 0.35 0.00 17.71 13.14 98 Q C C 91.73 7.72 11.44 20.68 113.84 -127.29 -93.09 133.86 87.40 12.03 0.57 79.57 6.58 0.62 0.26 0.30 0.00 6.00 6.66 99 P C T 77.42 6.34 10.33 18.27 103.92 -115.13 -65.44 153.35 73.35 2.90 23.75 24.31 11.65 34.91 1.39 25.14 0.00 1.77 0.83 100 S C T 93.16 1.86 10.67 13.37 97.79 -56.13 -74.06 -13.20 72.07 2.83 25.09 12.76 13.46 43.75 1.28 26.12 0.01 1.67 0.96 101 S C T 77.18 2.73 10.42 14.17 99.32 54.30 -87.52 -2.24 71.21 2.10 26.69 12.60 16.78 39.48 1.20 27.97 0.00 1.18 0.79 102 G C C 56.16 2.52 10.43 14.54 98.87 -110.35 80.48 6.44 91.27 3.84 4.89 34.70 28.17 28.31 0.62 4.71 0.00 2.13 1.37 103 R C C 134.96 3.45 10.20 15.62 118.38 131.32 -88.47 144.11 85.13 12.87 2.01 62.79 17.98 3.84 0.61 1.57 0.00 7.98 5.23 104 E C C 137.25 2.79 12.81 17.14 113.09 -108.65 -75.51 141.15 74.49 23.44 2.08 58.76 11.15 2.64 0.87 1.31 0.00 10.56 14.70 105 S C C 48.40 10.12 8.54 19.51 116.76 -116.95 -84.18 142.45 92.48 6.23 1.28 73.03 15.97 3.24 0.29 1.21 0.00 4.08 2.19 106 P C C 88.39 5.25 11.37 18.11 102.26 -117.46 -71.66 37.62 92.58 3.68 3.74 51.79 15.89 24.78 0.50 3.64 0.00 2.37 1.03 107 R C C 154.95 4.01 9.99 15.61 107.83 83.13 -90.44 89.63 93.15 3.62 3.23 69.40 4.44 19.62 0.71 2.15 0.00 2.37 1.32 108 H C C 123.18 5.70 10.92 18.02 111.47 -132.47 -93.10 118.20 99.03 0.85 0.12 98.60 0.39 0.22 0.04 0.04 0.00 0.52 0.19