# 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 T C C 87.10 4.74 11.52 17.81 118.04 -159.18 -98.68 139.03 99.91 0.07 0.02 99.84 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 137.46 3.54 9.80 15.11 114.05 -130.62 -93.95 131.70 85.36 7.05 7.59 81.40 1.85 2.42 5.81 1.39 0.00 3.77 3.36 2 K C C 139.79 3.08 9.33 14.22 112.41 -130.90 -84.04 136.82 76.78 9.72 13.50 59.11 11.17 5.78 9.43 4.52 0.01 6.18 3.79 3 R C C 150.46 4.38 9.27 15.39 109.65 -126.10 -83.51 127.79 70.76 10.66 18.58 51.92 10.25 7.85 10.50 8.41 0.02 7.14 3.92 4 R C C 151.40 3.64 11.60 16.77 110.96 -131.16 -91.30 124.16 67.00 11.63 21.37 38.46 14.86 13.93 10.60 10.25 0.11 7.89 3.89 5 N C C 83.76 7.49 10.12 18.93 109.80 -129.42 -95.40 105.92 72.22 10.02 17.76 38.96 16.35 17.41 7.88 9.03 0.08 6.40 3.88 6 N C C 96.05 5.07 12.18 18.66 102.82 91.79 -98.44 23.60 81.95 5.81 12.25 40.22 22.15 20.36 5.47 5.93 0.02 3.07 2.77 7 G C T 44.04 5.70 12.17 19.05 102.55 -113.74 70.62 -8.87 77.95 2.65 19.40 20.87 26.59 31.74 6.73 11.29 0.04 1.31 1.44 8 R C C 147.29 3.73 13.50 18.33 102.79 92.86 -85.54 -4.19 64.90 7.15 27.95 25.39 19.72 21.33 9.95 16.20 0.20 3.90 3.30 9 A C C 52.45 8.27 9.81 19.39 111.19 86.89 -84.41 123.71 61.50 9.82 28.68 34.62 13.44 14.22 10.07 18.02 0.08 6.24 3.31 10 K C C 139.35 3.43 12.22 17.05 107.24 -139.33 -89.42 62.33 61.48 12.58 25.94 31.89 14.63 15.93 9.23 15.92 0.16 7.93 4.31 11 K C T 148.47 2.36 11.31 14.98 111.90 53.30 -92.74 121.75 72.13 9.45 18.42 19.13 20.13 33.63 5.59 12.02 0.21 5.88 3.40 12 G C T 52.77 2.96 11.47 15.63 109.10 10.13 84.87 -21.27 88.10 3.44 8.46 18.92 26.09 42.78 1.26 7.50 0.01 2.27 1.17 13 R C C 165.94 2.64 11.30 15.34 105.74 25.69 -90.63 48.04 85.46 6.23 8.31 30.83 26.68 28.06 1.19 7.19 0.01 3.20 2.83 14 G C C 43.82 5.31 12.36 19.05 109.90 -89.05 83.90 -9.04 86.40 8.11 5.49 32.19 30.05 24.11 0.67 5.20 0.00 5.14 2.62 15 H C C 108.79 6.55 13.22 21.03 111.24 80.83 -89.54 119.31 82.08 14.37 3.55 42.47 27.34 12.23 0.67 3.21 0.01 8.27 5.78 16 V C C 69.10 10.57 12.96 24.36 112.94 -147.67 -97.83 121.68 81.25 17.78 0.97 61.88 16.30 2.17 0.31 0.72 0.00 9.38 9.25 17 Q C C 99.71 5.92 18.01 24.87 119.42 -146.37 -98.81 139.53 90.67 9.28 0.05 80.07 10.60 0.20 0.01 0.04 0.00 8.01 1.07 18 P C C 58.31 11.74 16.70 28.89 115.86 -102.22 -68.18 148.41 86.29 13.67 0.04 81.94 4.10 0.17 0.00 0.04 0.00 12.98 0.77 19 I E E 31.59 16.32 16.17 33.17 122.22 -151.48 -111.94 136.33 13.17 86.81 0.01 12.43 0.78 0.02 0.00 0.01 0.00 83.83 2.93 20 R E E 112.69 7.67 21.51 29.71 116.35 -134.24 -95.37 131.31 5.13 94.86 0.01 5.05 0.14 0.01 0.01 0.01 0.00 78.55 16.23 21 C C C 13.15 19.48 11.91 32.08 109.84 -120.55 -73.87 127.16 76.27 23.69 0.04 77.42 0.56 0.06 0.01 0.02 0.00 20.27 1.67 22 T C T 72.83 7.25 18.39 26.75 93.65 -150.67 -70.89 -23.07 99.31 0.36 0.32 1.08 12.35 85.82 0.01 0.39 0.00 0.27 0.07 23 N C T 93.14 5.81 17.32 23.80 100.66 40.50 -88.75 -37.72 99.38 0.20 0.42 0.36 8.76 90.23 0.01 0.47 0.00 0.12 0.05 24 C C T 55.66 7.43 15.39 23.94 103.88 16.83 -113.64 -8.48 98.87 0.58 0.55 7.72 29.99 60.93 0.03 0.75 0.00 0.33 0.24 25 A C C 61.21 8.46 15.68 25.17 95.44 -128.87 70.42 11.27 98.66 1.23 0.11 77.81 16.49 4.35 0.02 0.11 0.00 0.78 0.43 26 R C C 108.16 6.01 19.61 26.73 121.94 128.41 -85.73 149.93 85.78 14.19 0.03 77.52 8.61 0.16 0.01 0.03 0.00 12.41 1.26 27 C E E 51.36 13.47 17.80 31.43 115.58 -114.39 -82.57 136.94 3.91 96.08 0.01 3.44 0.44 0.02 0.01 0.00 0.00 74.47 21.62 28 V E E 16.35 17.55 15.16 33.49 129.58 -173.70 -129.90 146.64 25.69 74.31 0.00 24.67 0.93 0.01 0.00 0.00 0.00 72.58 1.80 29 P C C 52.10 5.64 20.75 27.27 113.24 -100.44 -63.81 143.35 52.47 47.51 0.02 54.04 0.58 0.02 0.01 0.01 0.00 43.31 2.04 30 K H G 93.01 14.29 12.18 26.34 91.32 -120.42 -58.15 -35.81 26.07 0.34 73.59 0.97 2.43 21.45 1.47 73.40 0.00 0.24 0.04 31 D H G 120.60 1.19 18.91 19.15 90.40 61.48 -69.51 -17.07 26.76 0.39 72.86 0.53 2.11 23.56 2.17 71.33 0.00 0.24 0.07 32 K H G 105.30 6.94 16.83 24.85 96.47 52.28 -96.83 -0.94 23.95 0.82 75.23 2.09 3.59 17.76 4.10 71.79 0.00 0.58 0.10 33 A C C 16.20 20.94 10.66 30.61 115.42 97.62 -82.69 137.83 62.64 32.06 5.31 49.33 10.71 2.24 2.89 2.58 0.01 28.55 3.70 34 I E E 68.92 9.57 17.91 28.44 120.28 -148.35 -109.51 132.05 14.95 84.83 0.21 13.20 1.68 0.20 0.15 0.11 0.00 81.52 3.14 35 K E E 114.30 8.89 15.64 25.63 117.20 -149.84 -99.01 132.31 14.29 85.57 0.14 12.40 1.29 0.12 0.06 0.06 0.00 85.79 0.28 36 K E E 105.80 6.85 15.02 23.46 126.06 -170.62 -125.27 141.56 13.53 86.21 0.26 11.76 1.22 0.16 0.11 0.10 0.00 86.43 0.22 37 F E E 107.02 8.76 12.46 22.67 121.06 -153.88 -112.48 134.48 7.57 92.29 0.14 7.18 0.32 0.05 0.08 0.04 0.00 92.03 0.29 38 V E E 72.65 6.65 13.73 22.28 119.59 -160.08 -113.17 129.82 7.84 92.05 0.11 7.39 0.34 0.04 0.08 0.03 0.00 91.81 0.32 39 I E E 94.94 6.63 12.24 20.75 116.12 -147.31 -100.29 126.56 17.71 82.07 0.21 16.26 0.95 0.12 0.13 0.07 0.00 81.99 0.47 40 R E E 120.81 6.33 11.73 19.77 119.85 -167.66 -109.57 143.51 42.01 57.16 0.83 34.37 6.24 0.70 0.57 0.29 0.00 56.92 0.92 41 N C C 86.67 4.38 12.28 18.17 114.70 -117.52 -85.15 141.22 66.36 32.34 1.30 59.81 5.58 0.60 1.14 0.33 0.00 30.48 2.04 42 I H H 110.42 3.98 11.47 17.08 94.54 -123.70 -62.72 -37.53 8.55 0.46 91.00 4.47 1.96 3.06 88.10 1.99 0.01 0.32 0.09 43 V H H 100.05 1.70 13.64 15.25 93.18 53.65 -66.02 -39.82 5.04 0.37 94.59 2.12 0.91 2.47 91.56 2.54 0.02 0.31 0.06 44 E H H 96.99 3.57 13.63 18.33 93.46 50.48 -67.42 -38.62 3.65 0.47 95.88 1.72 0.64 1.75 91.84 3.52 0.02 0.45 0.05 45 A H H 38.24 7.00 11.32 20.36 93.25 54.04 -65.14 -39.73 3.80 0.30 95.90 1.58 0.58 1.91 92.77 2.84 0.02 0.26 0.04 46 A H H 60.95 2.87 14.36 17.91 93.06 53.70 -66.38 -37.26 10.43 0.53 89.05 2.60 1.09 6.90 85.51 3.28 0.06 0.44 0.11 47 A H H 66.18 2.48 13.66 16.69 93.96 54.50 -69.89 -32.17 20.49 0.94 78.57 4.17 1.89 14.11 75.38 3.41 0.08 0.78 0.19 48 V H H 77.63 5.85 11.32 18.60 99.93 54.74 -82.40 -13.59 28.88 4.56 66.56 12.61 4.48 12.36 61.79 4.23 0.11 3.58 0.84 49 R H H 148.31 3.44 12.77 17.59 97.66 86.23 -71.52 -30.64 39.88 4.97 55.15 17.41 6.46 15.50 50.79 4.87 0.09 3.92 0.95 50 D C H 92.86 2.73 12.80 16.34 102.30 51.80 -86.27 16.25 49.09 3.47 47.45 25.26 5.37 17.75 43.37 4.87 0.03 2.56 0.79 51 I H H 88.02 6.18 9.92 17.68 97.28 107.66 -69.68 -31.75 28.97 2.19 68.84 17.24 5.33 8.13 58.49 8.71 0.06 1.47 0.58 52 S H H 75.84 2.82 12.08 16.03 95.34 59.77 -69.75 -32.29 26.99 1.74 71.28 11.58 4.43 11.53 58.76 11.89 0.12 1.22 0.48 53 E H H 140.69 1.48 12.70 14.30 95.34 52.45 -77.49 -20.44 29.19 1.29 69.52 8.32 5.48 15.92 56.64 12.16 0.20 0.80 0.47 54 A H H 58.11 5.46 10.02 17.12 103.35 64.00 -82.93 3.08 47.16 2.07 50.77 14.74 13.12 20.90 41.46 7.59 0.22 1.02 0.95 55 S C C 64.68 4.51 11.27 17.25 105.43 -130.60 -79.90 51.75 64.76 6.63 28.60 32.96 11.69 20.70 21.17 7.16 0.11 3.84 2.36 56 V C C 89.62 4.89 10.88 17.32 97.66 121.44 -77.30 -21.97 59.54 10.40 30.06 25.57 14.53 20.74 20.06 9.04 0.42 6.42 3.23 57 F C C 128.14 4.13 10.89 16.46 99.28 59.45 -81.00 -17.27 59.78 11.48 28.74 23.39 15.74 22.09 17.91 9.65 0.60 6.73 3.89 58 D C C 100.87 3.05 11.69 16.00 100.55 57.21 -83.40 -1.51 65.18 6.05 28.77 31.37 15.20 19.46 15.67 12.48 0.14 3.40 2.28 59 A C T 67.72 4.57 10.80 16.82 100.98 67.70 -81.51 -13.29 66.34 3.49 30.17 15.29 18.05 33.86 12.86 16.24 0.16 1.94 1.59 60 Y C T 149.74 4.25 11.39 17.07 105.28 53.79 -93.67 42.15 63.96 10.10 25.94 21.51 17.29 27.32 9.82 14.48 0.30 6.26 3.02 61 V C C 93.81 4.71 11.93 18.20 111.12 113.50 -95.24 109.07 62.51 20.60 16.90 36.61 15.76 10.81 8.30 8.62 0.33 12.11 7.45 62 L C C 78.99 9.08 10.06 20.41 116.95 114.55 -94.96 133.08 80.88 15.87 3.25 55.31 23.49 2.40 2.10 1.43 0.01 10.75 4.52 63 P C C 73.03 6.27 13.15 21.03 112.48 -111.69 -68.81 149.03 82.47 10.35 7.18 61.31 11.76 8.98 1.79 5.55 0.00 8.90 1.70 64 K C S 135.41 4.68 14.24 20.31 101.04 -121.08 -77.55 -11.02 79.63 11.92 8.45 18.95 42.29 19.80 1.49 5.93 0.02 10.12 1.41 65 L C E 73.82 9.25 13.86 24.15 116.44 46.69 -102.77 129.28 52.69 38.36 8.95 26.01 15.56 13.54 1.68 6.37 0.02 35.63 1.18 66 Y E E 85.94 12.03 15.17 27.90 127.85 -171.44 -122.60 144.84 23.97 74.59 1.44 20.37 3.23 0.81 0.51 0.73 0.00 73.43 0.92 67 V E E 43.36 13.34 16.93 31.15 123.25 -158.79 -117.71 135.10 7.08 92.76 0.17 6.30 0.59 0.09 0.08 0.06 0.00 92.56 0.31 68 K E E 87.53 11.06 20.13 31.47 118.26 -146.97 -103.13 129.39 4.22 95.67 0.10 3.81 0.26 0.04 0.05 0.03 0.00 95.66 0.15 69 L E E 29.13 17.65 17.98 35.66 120.71 -163.97 -111.11 133.89 7.57 92.23 0.20 6.83 0.45 0.09 0.10 0.07 0.00 92.28 0.16 70 H E E 53.88 13.39 22.14 35.72 121.90 -161.17 -111.77 133.95 11.35 88.17 0.48 9.89 1.15 0.29 0.26 0.21 0.00 87.66 0.54 71 Y E E 34.86 18.73 19.51 37.87 125.96 -167.85 -121.05 140.09 24.76 74.33 0.91 21.81 1.97 0.40 0.65 0.34 0.00 73.49 1.35 72 C C C 23.82 14.10 21.09 35.85 111.94 -127.68 -89.49 122.82 58.79 39.94 1.27 55.75 1.96 0.46 0.85 0.39 0.00 38.84 1.73 73 V H H 40.44 15.88 18.66 34.68 94.16 -148.67 -65.55 -32.39 28.54 4.47 67.00 13.62 5.84 9.99 50.41 15.36 0.24 3.78 0.76 74 S H H 48.39 7.09 21.02 28.99 91.53 63.64 -64.78 -35.57 20.07 2.43 77.50 6.31 3.78 10.00 57.86 19.32 0.21 2.04 0.47 75 C H H 32.38 10.78 17.90 29.99 92.32 52.63 -67.97 -34.51 12.01 1.93 86.06 4.66 2.19 5.23 63.99 21.84 0.06 1.77 0.26 76 V H H 22.68 16.59 14.19 31.07 92.41 56.40 -66.43 -38.45 12.71 3.70 83.59 6.02 2.31 5.02 67.55 15.11 0.09 3.38 0.51 77 I H H 83.78 7.58 16.17 24.64 92.40 52.81 -67.09 -37.84 19.88 6.38 73.74 7.10 3.71 10.22 61.60 10.36 0.54 5.27 1.20 78 H H H 130.65 2.82 16.00 19.38 95.38 47.05 -79.09 -24.89 34.31 4.59 61.10 8.79 5.91 20.37 52.73 6.84 0.83 3.00 1.53 79 S C T 48.10 8.22 11.72 21.35 98.41 56.24 -88.98 -1.67 73.27 1.54 25.18 14.89 17.15 39.64 23.42 3.34 0.07 0.71 0.77 80 K C T 154.23 2.69 15.23 19.16 95.70 -127.89 60.33 25.17 78.26 2.46 19.28 14.81 17.24 45.19 16.52 3.72 0.10 1.41 1.00 81 V C S 66.78 8.52 14.17 23.90 99.66 119.05 -91.45 -15.54 69.30 10.01 20.70 23.69 23.95 22.46 16.34 4.17 0.47 5.72 3.21 82 V C C 51.62 14.14 11.34 25.42 120.18 67.89 -110.36 132.82 67.80 13.32 18.88 34.81 22.42 11.27 15.03 4.05 0.21 8.10 4.10 83 R C C 138.55 4.91 16.12 22.30 116.42 -155.86 -97.08 137.14 76.16 10.39 13.45 51.01 16.27 8.32 11.12 3.35 0.03 7.11 2.79 84 N C C 94.80 7.75 13.35 22.33 109.65 -120.13 -83.71 120.35 84.30 5.95 9.74 63.89 13.09 6.58 7.97 2.63 0.01 3.90 1.94 85 R C C 106.30 8.92 11.32 21.42 119.06 -162.30 -96.22 142.64 88.35 3.06 8.58 70.53 13.18 3.90 7.87 1.56 0.00 1.66 1.30 86 S C C 53.29 4.30 13.10 18.93 114.70 -106.19 -73.84 150.78 88.14 1.67 10.19 80.16 5.21 2.13 10.03 0.96 0.00 0.70 0.80 87 R H H 156.33 2.96 11.73 16.33 92.99 -119.54 -61.25 -37.44 9.55 0.15 90.30 4.21 2.27 3.74 86.83 2.82 0.01 0.07 0.05 88 E H H 122.00 1.34 14.11 14.92 91.98 53.24 -64.73 -40.27 6.35 0.19 93.46 2.12 1.12 3.48 88.82 4.26 0.02 0.13 0.04 89 A H H 36.72 6.05 11.17 19.50 91.88 50.56 -64.71 -39.62 5.16 0.22 94.62 1.99 0.80 2.64 89.00 5.34 0.01 0.18 0.04 90 R H H 101.48 7.50 10.98 20.03 92.21 52.57 -65.70 -37.70 7.03 0.21 92.76 2.41 1.05 3.82 87.68 4.82 0.02 0.13 0.05 91 K H H 142.91 1.60 13.77 15.63 92.02 53.40 -68.59 -31.35 21.50 0.30 78.19 3.72 2.67 15.04 74.94 3.28 0.07 0.14 0.15 92 D C H 102.60 2.05 13.04 15.64 96.03 50.45 -87.35 -3.81 50.70 0.46 48.85 10.34 7.57 32.04 47.36 2.22 0.03 0.17 0.27 93 R C C 123.75 7.92 9.36 18.43 103.56 95.30 -80.29 55.85 87.94 2.57 9.49 54.36 20.99 12.06 8.14 1.65 0.01 0.88 1.91 94 T C C 87.83 3.42 11.66 16.78 117.65 124.17 -99.87 134.75 96.71 2.89 0.40 69.67 26.26 0.81 0.24 0.13 0.00 1.02 1.87 95 P C C 92.02 3.51 10.92 16.36 116.53 -105.61 -67.59 149.96 99.51 0.42 0.07 89.32 9.85 0.36 0.02 0.03 0.00 0.16 0.25 96 P C C 80.91 5.58 9.10 16.66 115.80 -102.17 -65.31 151.30 99.48 0.17 0.35 91.76 6.37 1.35 0.09 0.24 0.00 0.06 0.13 97 P C C 97.81 2.88 10.01 14.68 112.77 -99.55 -66.40 148.22 96.49 0.38 3.13 72.44 12.29 11.08 0.43 3.34 0.00 0.18 0.23 98 R C C 182.15 1.60 8.49 11.72 108.96 -117.01 -82.25 124.04 92.48 2.77 4.75 59.58 19.05 13.19 0.75 4.56 0.00 1.48 1.39 99 F C C 147.98 3.34 6.53 11.71 111.29 -147.85 -92.30 124.43 93.60 3.10 3.30 85.05 3.07 5.77 0.69 2.31 0.00 1.69 1.41 100 R C C 179.06 1.71 10.00 13.11 110.86 -155.07 -92.70 119.29 99.88 0.10 0.03 99.77 0.10 0.06 0.01 0.00 0.00 0.04 0.02