# 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 G C C 40.53 6.52 16.13 23.56 116.34 -124.11 89.17 -172.77 99.86 0.12 0.02 99.67 0.17 0.07 0.01 0.00 0.00 0.07 0.02 1 R C C 148.81 5.60 14.07 21.18 114.61 -87.99 -94.72 130.89 91.37 7.46 1.17 88.16 2.03 1.24 0.75 0.33 0.00 2.88 4.61 2 R C C 110.78 9.23 13.32 23.61 118.34 -141.45 -93.67 139.85 94.50 3.98 1.52 78.70 14.29 1.55 1.02 0.51 0.00 2.18 1.76 3 P C C 56.22 10.61 15.17 26.66 110.32 -104.72 -66.88 148.53 81.90 4.56 13.53 70.53 5.37 5.81 6.95 6.62 0.00 2.62 2.11 4 A H G 47.03 12.02 14.67 26.97 98.70 -112.46 -67.52 -26.63 33.08 2.73 64.19 16.76 6.10 10.57 18.08 46.00 0.02 1.79 0.68 5 R H G 130.34 6.01 19.24 25.85 94.93 71.62 -70.34 -22.91 25.10 3.15 71.74 9.00 5.01 11.75 21.14 50.04 0.08 2.37 0.61 6 C H G 31.83 15.31 15.24 30.59 97.25 64.82 -81.63 -15.89 22.98 3.73 73.28 10.28 4.73 8.95 22.27 50.10 0.04 2.97 0.65 7 Y H H 67.31 15.12 14.76 29.71 103.71 73.36 -86.11 21.12 38.48 9.37 52.15 22.14 8.32 8.81 26.79 25.11 0.13 6.39 2.31 8 R C H 129.46 6.30 17.76 24.82 100.78 109.33 -77.63 -13.22 46.02 9.89 44.10 23.40 9.36 13.77 23.88 20.04 0.22 7.02 2.29 9 Y C H 108.68 8.97 16.02 25.62 105.07 63.35 -90.44 11.29 49.42 9.52 41.06 20.53 11.92 18.06 21.56 18.59 0.36 6.45 2.54 10 C C C 37.41 14.76 10.55 25.17 108.44 64.75 -97.59 75.02 64.09 7.93 27.98 39.32 10.91 13.68 16.03 12.01 0.06 4.74 3.26 11 K C T 133.21 4.17 14.22 19.88 107.11 105.33 -84.85 103.62 83.78 3.32 12.90 23.65 19.20 41.64 7.69 4.62 0.03 1.77 1.40 12 N C T 126.17 2.37 14.29 17.67 99.61 6.70 -68.19 39.36 94.21 1.25 4.54 21.94 30.61 42.18 1.57 2.50 0.00 0.67 0.52 13 K C C 104.00 7.25 11.70 20.67 119.36 129.70 -98.35 137.14 98.08 1.70 0.22 65.20 32.54 0.57 0.08 0.11 0.00 0.74 0.75 14 P C C 90.93 4.35 15.31 20.98 111.47 -106.50 -68.08 146.41 96.05 3.62 0.32 86.34 8.52 0.89 0.13 0.17 0.00 1.38 2.57 15 Y C C 76.07 15.73 9.60 24.70 115.58 -112.67 -88.73 131.23 96.53 2.98 0.49 85.56 10.00 0.74 0.23 0.22 0.00 1.17 2.07 16 P C C 68.17 6.53 15.00 22.99 111.51 -109.17 -66.69 149.65 91.89 1.86 6.25 73.08 9.83 8.96 2.15 3.96 0.00 0.97 1.07 17 K C C 143.96 4.00 13.96 19.62 106.78 -117.94 -79.72 101.59 83.95 3.35 12.70 51.04 20.02 12.95 5.53 6.73 0.00 1.46 2.26 18 S C C 47.31 10.09 11.33 22.35 119.46 140.04 -103.34 151.27 74.56 3.76 21.68 46.89 16.98 10.60 9.82 11.71 0.01 1.78 2.20 19 R C C 156.75 4.08 16.20 21.44 96.13 -130.56 -71.27 -19.40 61.77 4.81 33.43 24.48 19.47 19.21 13.98 18.05 0.12 2.56 2.12 20 F C C 79.32 12.38 14.54 27.09 98.85 61.08 -84.57 -13.95 52.20 14.81 32.98 22.38 14.01 17.97 13.67 17.52 0.64 8.87 4.94 21 C C C 33.16 17.19 11.67 28.04 106.28 62.07 -95.78 47.05 54.20 18.39 27.41 30.91 11.42 12.58 12.64 14.52 0.33 11.46 6.14 22 R C T 151.78 4.09 16.72 22.08 108.19 98.37 -91.03 79.50 72.18 12.71 15.10 21.82 16.77 35.18 7.32 6.85 0.24 7.96 3.87 23 G C T 43.50 5.72 16.52 23.08 112.66 -3.74 96.82 -128.05 87.14 7.46 5.40 23.27 30.64 34.38 1.40 3.46 0.02 4.68 2.15 24 V C C 59.53 12.78 12.18 25.40 117.39 -50.07 -100.30 127.32 93.20 6.13 0.67 66.81 25.31 1.29 0.29 0.38 0.00 3.14 2.78 25 P C C 71.22 7.83 14.16 23.37 112.33 -119.05 -67.27 148.04 91.53 3.68 4.80 60.34 15.57 15.53 1.21 3.70 0.00 2.15 1.49 26 D C C 92.72 5.50 15.00 21.81 108.64 -95.89 -81.98 116.17 87.87 3.36 8.77 56.74 14.14 16.49 1.69 7.58 0.00 1.85 1.51 27 A C T 62.79 9.89 12.34 23.09 99.97 -147.49 -70.82 -12.06 74.59 3.95 21.46 25.01 19.11 31.11 2.63 18.63 0.01 2.53 0.97 28 K C T 127.83 4.72 17.72 23.26 96.62 82.68 -82.18 -5.45 65.01 14.59 20.40 17.77 18.25 31.09 2.33 16.78 0.06 12.24 1.48 29 I E E 42.43 17.89 12.13 29.61 116.71 92.28 -99.02 127.28 42.24 47.73 10.03 32.00 7.68 4.23 2.57 6.60 0.02 45.25 1.66 30 R E E 110.92 8.97 19.84 29.39 118.47 -170.53 -112.47 130.76 32.18 66.11 1.70 27.76 3.66 0.99 0.66 0.87 0.00 64.97 1.09 31 I E E 72.22 13.67 18.28 31.79 120.65 -151.97 -111.91 128.81 15.74 83.37 0.89 13.99 1.46 0.40 0.44 0.37 0.00 82.16 1.17 32 F E E 46.23 16.32 17.32 33.82 123.61 -172.21 -119.45 135.15 11.49 87.94 0.57 10.25 1.00 0.28 0.31 0.23 0.00 86.71 1.21 33 D E E 73.81 9.27 22.52 32.03 110.57 -143.36 -97.60 111.63 22.70 76.85 0.44 20.55 1.54 0.39 0.18 0.23 0.00 76.20 0.90 34 L C C 23.79 19.42 17.20 36.75 99.09 173.68 -97.20 -2.90 60.93 37.63 1.44 48.54 7.47 4.37 0.45 1.07 0.00 35.57 2.53 35 G C C 21.55 13.38 18.03 31.18 113.61 -123.08 78.64 -164.27 80.61 17.60 1.80 40.86 30.67 10.29 0.36 1.54 0.00 13.82 2.45 36 R C C 119.86 7.19 17.58 25.42 112.31 -1.58 -90.81 122.37 80.89 12.86 6.25 37.74 33.42 10.21 1.50 4.62 0.03 6.51 5.97 37 K C T 130.90 7.20 14.13 22.81 95.91 -131.99 -69.62 -21.89 87.62 3.60 8.79 7.82 20.10 59.82 1.08 7.61 0.02 2.34 1.22 38 K C T 158.48 1.64 18.25 19.33 97.68 54.45 -89.79 2.58 88.26 3.36 8.38 15.79 15.35 57.16 1.18 7.31 0.01 2.18 1.02 39 A C C 22.11 16.30 9.81 26.03 118.52 118.24 -80.83 145.22 92.40 4.88 2.72 66.89 23.19 2.21 0.84 1.95 0.00 2.39 2.53 40 K C C 109.97 3.44 22.25 25.10 119.06 -133.04 -94.99 143.98 88.72 10.26 1.02 85.27 2.47 0.56 0.41 0.43 0.00 3.08 7.77 41 V H G 38.99 20.16 10.76 29.78 92.41 -122.69 -60.89 -32.78 24.23 0.59 75.18 4.30 2.94 15.23 1.41 75.62 0.00 0.40 0.10 42 D H G 116.30 2.00 18.19 20.66 91.14 61.88 -70.05 -18.24 26.70 0.18 73.12 1.13 1.82 21.01 1.09 74.80 0.00 0.11 0.03 43 E H G 112.62 4.91 17.91 23.59 95.56 54.53 -87.75 -13.12 25.12 0.30 74.59 2.27 3.33 17.22 1.26 75.67 0.00 0.18 0.06 44 F C S 18.75 22.41 10.66 32.27 116.18 67.58 -109.19 117.64 96.55 1.42 2.03 47.56 47.72 1.38 0.89 0.86 0.00 0.45 1.13 45 P C S 64.53 7.52 22.76 31.28 94.68 -152.03 -68.77 -21.16 86.04 2.97 10.99 27.33 29.82 29.66 2.52 7.88 0.01 1.69 1.09 46 L C E 32.54 19.27 19.72 37.88 105.50 54.80 -94.88 32.83 51.27 34.46 14.27 18.89 14.78 21.56 4.60 8.70 0.37 27.30 3.81 47 C E E 20.56 19.81 21.24 40.14 112.89 118.41 -96.06 122.77 33.14 52.87 13.99 20.85 8.88 7.45 6.40 7.32 0.20 44.87 4.04 48 G E E 13.51 19.01 23.37 40.45 113.40 75.27 -96.97 -32.83 30.35 58.92 10.72 16.51 10.39 7.92 4.48 5.14 0.07 53.86 1.63 49 H E E 60.77 15.30 25.40 39.91 124.87 28.11 -120.88 138.10 23.84 67.06 9.09 16.47 5.51 4.23 4.57 3.67 0.02 64.24 1.29 50 M E E 22.76 22.10 20.86 42.11 117.90 -153.80 -104.62 128.99 26.17 66.70 7.13 21.28 3.41 1.92 5.01 2.30 0.01 63.68 2.39 51 V E E 35.07 15.65 22.81 38.21 119.28 -170.45 -111.56 132.03 37.99 56.58 5.43 29.82 5.75 2.73 3.66 2.07 0.02 52.76 3.17 52 S C C 21.67 17.32 16.57 33.69 124.53 -168.11 -120.81 150.02 61.28 32.73 5.99 41.98 13.32 6.35 2.81 3.02 0.05 30.13 2.35 53 D C S 90.98 7.33 18.49 26.56 100.23 -145.50 -88.81 -0.21 82.17 8.90 8.93 30.67 39.32 12.99 4.38 3.95 0.04 7.09 1.56 54 E C C 96.11 6.78 18.14 25.60 113.88 74.72 -95.23 130.88 76.66 4.65 18.69 45.77 19.07 11.70 12.71 6.34 0.02 2.86 1.53 55 Y H H 94.98 15.11 13.08 27.50 97.22 -147.69 -68.93 -26.06 37.21 3.06 59.73 19.25 6.89 10.90 32.78 27.31 0.06 2.02 0.79 56 E H H 117.70 4.97 17.66 23.50 95.84 66.61 -70.30 -25.57 30.32 3.37 66.31 11.10 6.04 12.50 35.44 31.63 0.11 2.46 0.71 57 Q H H 89.99 8.62 17.71 26.90 98.46 57.01 -81.71 -11.13 29.90 4.67 65.43 12.28 6.15 11.25 35.67 30.24 0.16 3.30 0.96 58 L H H 26.07 21.11 11.84 31.85 106.40 66.61 -86.76 80.47 44.82 5.67 49.52 26.09 11.56 9.22 33.67 14.29 0.12 3.13 1.90 59 S C C 45.29 7.84 19.38 27.80 116.84 120.61 -84.37 166.82 57.06 1.90 41.04 44.54 7.94 3.81 40.58 1.60 0.00 0.77 0.75 60 S H H 69.62 6.44 17.70 25.10 93.94 -89.11 -63.94 -36.30 9.63 0.16 90.21 3.59 2.06 4.26 88.82 1.12 0.02 0.07 0.06 61 E H H 106.81 4.74 21.61 26.63 92.56 51.26 -67.12 -39.35 5.38 0.10 94.52 1.90 0.79 2.79 93.42 1.00 0.02 0.05 0.03 62 A H H 10.41 19.24 17.62 36.79 92.37 50.88 -65.44 -41.76 2.61 0.05 97.33 1.27 0.33 1.04 96.79 0.54 0.00 0.03 0.01 63 L H H 26.55 18.81 20.37 38.35 91.94 51.33 -63.31 -42.63 0.61 0.01 99.38 0.25 0.06 0.24 99.32 0.12 0.00 0.00 0.00 64 E H H 94.85 5.18 26.83 32.33 91.58 50.68 -63.81 -41.64 0.47 0.01 99.52 0.15 0.04 0.22 99.51 0.07 0.00 0.00 0.00 65 A H H 24.45 11.56 24.59 36.81 91.60 50.43 -64.52 -42.10 0.32 0.00 99.67 0.08 0.03 0.17 99.67 0.05 0.00 0.00 0.00 66 A H H 3.26 24.74 21.27 45.75 91.56 50.55 -64.12 -42.14 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 67 R H H 75.94 16.17 25.63 40.34 91.42 51.01 -62.71 -42.79 0.24 0.00 99.76 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 68 I H H 74.85 5.93 28.19 34.92 91.49 49.47 -63.56 -42.97 0.26 0.00 99.74 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 69 C H H 19.13 14.88 24.63 39.79 91.39 49.06 -64.11 -42.71 0.97 0.01 99.02 0.10 0.05 0.72 99.02 0.10 0.00 0.00 0.00 70 A H H 3.54 24.15 20.88 44.76 91.92 50.03 -64.09 -42.37 3.52 0.01 96.47 0.29 0.24 2.73 96.52 0.21 0.00 0.00 0.01 71 N H H 53.63 14.53 23.80 37.28 92.24 51.11 -64.52 -41.15 2.73 0.01 97.26 0.33 0.26 1.90 97.30 0.20 0.00 0.00 0.00 72 K H H 103.26 5.51 25.18 30.87 92.08 49.84 -65.95 -41.49 1.84 0.00 98.16 0.15 0.15 1.46 97.90 0.33 0.00 0.00 0.00 73 Y H H 58.19 11.96 22.20 34.45 92.55 46.48 -66.08 -42.17 2.34 0.01 97.64 0.18 0.18 1.97 97.10 0.56 0.01 0.01 0.00 74 M H H 11.62 21.62 16.93 38.37 92.36 49.59 -64.59 -42.81 2.80 0.04 97.16 0.39 0.31 2.10 96.32 0.83 0.02 0.02 0.02 75 V H H 48.22 12.95 17.17 30.40 92.40 49.99 -64.77 -40.70 2.37 0.07 97.56 0.44 0.32 1.65 96.62 0.90 0.02 0.03 0.02 76 K H H 147.32 1.55 20.58 21.22 93.20 47.68 -67.56 -38.02 3.00 0.03 96.97 0.25 0.26 2.50 96.09 0.87 0.02 0.01 0.01 77 S H H 55.95 8.30 17.70 26.65 98.92 37.40 -84.34 -36.08 6.20 0.04 93.76 0.24 0.47 5.67 92.82 0.74 0.04 0.01 0.02 78 C H H 25.48 16.89 12.83 29.55 101.46 26.81 -103.41 -15.42 18.39 0.33 81.28 1.77 4.83 13.21 78.86 0.78 0.22 0.09 0.24 79 G C C 28.25 3.56 18.97 23.46 126.21 -120.52 94.20 170.14 84.22 1.76 14.03 65.55 8.15 9.48 3.41 11.59 0.00 1.01 0.80 80 K C T 142.08 5.91 14.43 22.08 93.30 -62.99 -65.54 -26.43 60.96 0.86 38.19 3.57 10.48 46.09 2.35 36.56 0.01 0.47 0.46 81 D C T 110.31 2.58 19.81 22.71 93.65 58.09 -81.20 -3.41 60.48 0.61 38.91 3.48 8.74 46.89 2.46 37.74 0.01 0.35 0.34 82 G C C 10.90 15.57 16.63 32.63 97.78 75.91 -84.05 -19.15 66.38 4.26 29.36 31.70 15.82 18.09 1.94 28.79 0.00 2.77 0.88 83 F C C 15.29 22.97 16.22 38.84 127.82 51.24 -124.98 141.79 54.71 43.42 1.87 45.63 7.00 1.78 0.59 1.32 0.00 40.60 3.07 84 H E E 60.19 11.60 26.04 37.85 127.16 -170.82 -127.03 140.27 22.50 76.65 0.84 19.86 2.18 0.55 0.33 0.41 0.00 75.94 0.73 85 I E E 13.28 23.95 18.12 41.94 123.86 -162.24 -118.41 135.10 8.65 91.10 0.24 7.93 0.51 0.10 0.11 0.08 0.00 91.02 0.25 86 R E E 88.81 10.85 24.90 35.76 124.74 -168.22 -121.94 135.04 3.47 96.37 0.16 3.16 0.24 0.06 0.07 0.05 0.00 96.25 0.16 87 V E E 22.50 20.87 16.99 37.76 121.22 -160.85 -113.90 130.91 5.85 93.98 0.17 5.42 0.33 0.08 0.06 0.06 0.00 93.86 0.20 88 R E E 97.82 8.60 21.36 30.62 116.96 -159.15 -106.44 124.57 15.54 84.05 0.42 13.64 1.55 0.41 0.14 0.20 0.00 83.61 0.44 89 L E E 47.38 15.86 13.51 29.64 117.90 -156.89 -103.38 132.66 33.33 66.05 0.62 27.25 5.65 1.13 0.19 0.42 0.00 63.99 1.38 90 H C C 86.88 7.10 15.22 23.65 119.93 -143.39 -98.78 146.90 61.50 37.58 0.92 51.33 7.14 1.96 0.28 0.72 0.00 36.00 2.57 91 P C T 87.00 5.32 13.51 19.92 99.13 -80.02 -67.32 -17.44 89.63 3.67 6.70 11.62 21.79 56.20 1.40 5.44 0.00 2.92 0.62 92 F C T 135.37 5.06 13.21 19.13 103.61 30.99 -92.24 6.49 88.69 4.00 7.31 11.44 19.98 57.08 1.60 5.93 0.01 3.29 0.68 93 H C E 96.47 7.90 12.61 21.80 118.37 101.16 -109.97 131.55 54.93 39.15 5.92 27.10 13.62 16.77 1.43 4.38 0.04 33.96 2.69 94 V E E 69.99 9.53 13.48 24.41 120.87 -156.99 -111.61 131.58 34.71 64.28 1.02 30.35 3.16 0.93 0.62 0.49 0.00 61.89 2.56 95 I E E 72.78 10.14 14.74 26.19 119.18 -160.41 -109.49 130.32 30.31 68.76 0.94 27.49 2.11 0.64 0.63 0.38 0.00 67.18 1.57 96 R E E 116.42 7.91 16.06 25.26 117.30 -151.09 -102.71 126.99 34.40 64.02 1.58 31.26 2.11 0.80 0.99 0.66 0.00 62.50 1.68 97 I C C 67.86 11.75 12.99 25.64 114.80 -160.87 -99.45 128.19 54.19 36.29 9.52 43.55 6.36 4.36 4.32 4.88 0.02 34.37 2.13 98 N C C 80.42 7.42 12.59 21.39 114.25 -139.25 -95.90 126.75 65.88 16.30 17.81 43.99 12.63 10.19 3.80 13.29 0.03 14.53 1.55 99 K C C 136.96 4.63 11.68 17.79 106.62 -147.55 -84.86 86.74 64.22 12.30 23.47 36.01 15.02 14.90 4.03 18.45 0.04 10.01 1.53 100 M C C 125.21 4.06 9.85 15.58 108.37 -133.33 -88.88 104.80 74.42 8.52 17.06 61.90 3.04 11.30 4.06 10.97 0.00 6.99 1.75 101 L C C 101.77 6.80 10.54 18.63 109.70 -151.50 -88.98 113.64 99.16 0.72 0.12 98.92 0.24 0.16 0.05 0.02 0.00 0.53 0.07