# 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 A C C 78.19 3.79 11.24 16.61 111.85 -154.15 -93.28 130.35 99.83 0.15 0.02 99.75 0.10 0.03 0.01 0.00 0.00 0.08 0.01 1 R C C 158.01 3.41 8.87 14.32 117.66 -160.99 -103.17 135.31 84.95 13.36 1.69 83.25 1.04 1.24 0.80 0.56 0.00 10.69 2.41 2 K C C 147.86 2.33 9.85 14.04 118.40 -153.42 -104.57 133.64 75.17 22.51 2.32 65.65 6.55 2.02 1.21 1.13 0.00 19.61 3.83 3 I C C 100.77 6.55 8.08 16.23 115.79 -146.61 -97.29 130.06 73.16 23.57 3.28 65.99 4.59 1.70 1.64 1.52 0.00 21.51 3.05 4 R C C 151.62 3.58 10.61 15.96 113.75 -148.79 -91.94 129.39 76.95 17.95 5.09 66.72 6.22 3.25 2.38 2.55 0.00 16.22 2.65 5 T C C 90.66 5.10 9.63 16.27 111.33 -165.19 -101.83 88.23 83.37 9.90 6.73 62.06 14.47 6.88 2.71 3.85 0.00 8.28 1.75 6 N C C 119.49 2.35 11.70 15.24 108.33 69.93 -94.72 80.17 85.37 7.80 6.83 53.63 24.65 7.72 2.66 3.84 0.00 5.87 1.62 7 V C C 78.23 8.00 9.21 18.54 116.71 149.04 -97.93 129.81 83.26 10.23 6.51 62.47 15.89 5.14 2.60 3.79 0.00 8.11 2.00 8 H C C 131.58 3.49 13.03 18.06 113.48 -154.07 -97.04 124.92 79.68 14.38 5.94 64.70 9.76 4.87 2.34 3.59 0.00 11.25 3.50 9 F C C 96.15 11.31 9.65 21.30 119.17 -167.82 -102.29 134.46 79.72 15.53 4.75 60.14 13.53 5.42 1.77 3.17 0.00 11.11 4.85 10 R C C 149.96 3.29 14.94 19.69 121.40 -159.76 -111.15 137.31 86.08 11.29 2.62 66.54 15.33 3.87 0.95 1.80 0.00 7.46 4.04 11 R C C 123.14 9.09 11.50 21.75 116.08 -118.78 -84.45 135.75 97.18 2.54 0.28 77.50 19.48 0.50 0.13 0.14 0.00 1.41 0.84 12 P C C 48.63 10.49 9.89 21.67 113.35 -107.05 -65.94 149.81 93.42 1.36 5.21 81.54 5.07 6.73 1.22 4.03 0.00 0.77 0.64 13 T C T 116.75 1.24 12.87 14.31 94.64 -121.71 -68.29 -22.04 85.46 1.41 13.12 27.85 24.11 33.44 2.11 11.06 0.00 0.69 0.73 14 T C T 88.77 3.42 12.08 16.68 102.49 56.51 -92.67 -2.66 80.83 3.88 15.29 29.31 20.94 31.33 2.47 12.27 0.01 2.06 1.60 15 L C C 72.40 11.55 8.38 20.01 105.26 103.37 -81.55 49.06 82.48 5.79 11.73 47.05 25.12 10.15 2.32 9.52 0.01 3.14 2.69 16 K C C 149.58 2.16 14.90 17.95 111.93 139.79 -101.51 110.71 89.86 6.28 3.86 61.20 23.85 4.39 1.18 2.74 0.00 3.39 3.24 17 L C C 73.65 10.64 9.68 21.12 118.31 -128.75 -83.73 143.03 97.37 2.19 0.44 83.74 12.89 0.78 0.15 0.27 0.00 1.21 0.96 18 P C C 82.90 4.18 13.75 19.33 113.90 -103.73 -65.94 150.28 96.97 1.53 1.51 86.65 5.20 5.12 0.40 1.04 0.00 0.90 0.71 19 R C C 158.90 4.69 11.03 17.82 111.28 -106.40 -78.14 133.49 95.60 3.12 1.28 64.23 24.59 6.21 0.30 1.10 0.00 1.23 2.34 20 S C C 55.78 6.71 10.60 19.11 117.32 -152.80 -110.19 126.43 98.06 1.65 0.30 71.98 25.29 0.78 0.08 0.19 0.00 0.63 1.06 21 P C T 95.26 4.46 10.46 16.82 96.69 -128.90 -64.33 -18.65 96.55 0.90 2.55 38.57 14.51 43.23 0.30 2.56 0.00 0.50 0.35 22 K C T 157.66 1.62 13.03 15.01 96.12 62.85 -78.46 -13.77 95.27 2.17 2.56 30.08 21.57 43.57 0.32 2.50 0.00 1.20 0.76 23 Y C S 91.34 9.77 9.08 19.96 114.03 64.73 -106.67 117.56 96.35 2.89 0.76 43.14 52.41 1.08 0.27 0.39 0.00 1.21 1.50 24 P C C 78.08 5.42 12.52 19.61 111.08 -132.84 -69.33 144.91 91.46 2.58 5.96 79.65 5.69 6.27 1.61 4.08 0.00 1.50 1.19 25 R C C 133.70 7.42 10.76 19.48 111.71 -123.28 -85.94 131.43 83.57 5.65 10.78 55.42 14.96 12.72 2.61 8.50 0.00 2.94 2.84 26 K C C 140.80 3.78 12.59 17.99 110.00 -149.98 -87.96 111.95 82.90 6.31 10.80 45.21 21.98 15.90 2.37 8.43 0.01 3.58 2.51 27 S C C 73.61 4.72 12.16 18.45 116.27 -129.28 -101.57 134.86 87.29 5.70 7.00 50.54 25.32 11.39 1.78 5.32 0.00 3.02 2.63 28 V C C 74.50 8.73 10.12 20.17 118.69 -143.78 -102.15 131.21 96.29 2.88 0.83 58.76 37.04 0.95 0.47 0.31 0.00 1.33 1.14 29 P C C 76.10 5.78 11.72 19.26 112.18 -107.97 -66.20 148.44 92.62 1.75 5.63 78.70 8.18 5.92 2.72 2.63 0.00 1.01 0.84 30 T C C 94.07 4.24 10.96 16.91 109.69 -129.69 -86.67 121.70 81.44 3.15 15.41 59.62 11.92 9.53 7.70 7.79 0.00 1.55 1.89 31 R C C 145.43 5.04 10.71 17.32 109.34 -158.62 -89.01 94.82 64.40 3.12 32.47 33.14 14.90 17.13 13.91 17.75 0.03 1.55 1.58 32 N C C 104.12 4.58 11.71 17.73 105.97 68.09 -84.97 59.18 63.68 2.74 33.58 32.55 13.27 18.40 14.19 18.87 0.03 1.42 1.27 33 R C C 142.22 5.39 12.75 19.45 102.16 102.77 -83.31 -1.45 61.85 3.57 34.58 33.78 13.20 15.27 16.57 17.63 0.04 1.85 1.66 34 M C C 84.07 10.08 12.36 23.12 106.88 88.06 -87.65 67.93 68.06 3.71 28.23 42.48 14.84 11.02 16.99 10.91 0.03 1.76 1.96 35 D C C 68.81 7.77 15.96 24.62 107.58 116.38 -83.47 106.63 68.12 2.88 29.00 48.92 10.19 8.76 16.23 12.97 0.01 1.51 1.40 36 A H G 48.29 12.25 14.88 27.44 94.47 -129.81 -67.00 -24.12 43.12 1.27 55.61 8.94 8.08 25.44 17.16 39.06 0.07 0.74 0.51 37 Y H G 99.78 11.23 16.73 28.31 96.95 61.93 -81.95 -7.62 43.00 1.85 55.15 8.15 6.91 27.13 16.83 39.07 0.08 1.16 0.66 38 N H G 68.02 10.42 18.90 29.76 98.17 81.13 -81.97 0.69 45.76 5.26 48.98 18.49 12.14 17.10 13.45 33.95 0.08 3.65 1.15 39 I C E 39.76 17.05 17.91 34.70 101.84 88.89 -90.69 -12.35 46.24 35.83 17.92 23.39 16.02 9.77 9.73 7.61 0.47 29.53 3.48 40 I E E 31.40 19.38 16.08 35.36 113.35 91.87 -91.65 122.13 24.67 68.81 6.52 18.41 4.33 2.27 4.78 2.32 0.04 62.66 5.19 41 K E E 100.54 9.86 20.53 30.51 101.50 -177.38 -95.42 -23.39 32.93 64.51 2.57 24.59 7.44 1.39 2.06 0.82 0.01 61.36 2.31 42 Y E E 102.59 8.71 21.25 30.58 128.47 24.07 -137.19 136.94 42.02 57.61 0.37 27.24 15.25 0.70 0.19 0.18 0.00 55.03 1.41 43 P C C 51.81 15.75 18.69 33.61 114.15 -110.36 -68.52 143.65 54.98 44.55 0.47 49.61 3.62 0.67 0.18 0.28 0.00 43.24 2.39 44 L C C 35.91 18.30 18.27 36.13 103.12 -131.31 -83.65 58.03 80.39 17.66 1.95 59.29 17.05 4.28 0.76 1.29 0.00 12.69 4.63 45 T C C 43.38 16.51 16.55 32.43 119.78 117.59 -111.91 134.39 89.50 8.68 1.82 60.93 26.05 3.32 0.87 0.95 0.00 4.81 3.08 46 T C C 54.38 7.40 17.58 25.99 127.92 -159.92 -104.89 165.55 91.97 4.38 3.66 61.63 28.76 1.65 3.20 0.73 0.00 1.46 2.58 47 E H H 135.29 3.18 15.98 20.39 91.57 -102.41 -60.06 -37.87 10.81 0.13 89.06 2.60 3.38 5.62 85.91 2.33 0.05 0.05 0.07 48 A H H 60.73 3.20 18.76 22.07 91.77 52.82 -64.64 -40.49 7.84 0.12 92.04 1.69 1.27 5.08 88.68 3.10 0.05 0.07 0.05 49 A H H 10.15 17.65 13.91 32.12 92.04 49.88 -65.60 -40.70 4.79 0.14 95.07 1.82 0.77 2.49 91.47 3.31 0.02 0.10 0.03 50 M H H 53.47 13.81 16.17 30.25 91.93 52.78 -63.36 -41.02 3.61 0.13 96.26 1.48 0.61 1.75 93.99 2.04 0.01 0.09 0.03 51 K H H 119.18 1.90 21.64 21.97 91.95 51.61 -64.34 -40.89 5.22 0.23 94.54 1.93 0.81 2.78 92.77 1.47 0.03 0.15 0.06 52 K H H 79.19 7.42 18.25 26.71 92.30 50.34 -65.72 -40.39 5.52 0.44 94.05 2.12 0.94 2.93 92.11 1.47 0.05 0.29 0.10 53 I H H 22.21 19.30 12.67 31.53 92.63 50.07 -65.85 -41.33 5.26 0.52 94.21 2.32 0.89 2.55 91.87 1.85 0.04 0.37 0.11 54 E H H 116.00 5.29 17.32 23.70 93.21 49.50 -66.63 -38.25 6.86 0.21 92.94 1.73 0.84 4.38 90.56 2.24 0.05 0.14 0.06 55 D H H 110.06 1.42 17.76 18.11 95.54 45.22 -78.58 -30.55 14.55 0.14 85.31 1.61 1.54 11.46 83.22 1.95 0.08 0.07 0.07 56 N H H 78.17 7.73 15.82 24.46 100.00 28.45 -99.96 3.43 45.09 0.22 54.68 4.66 7.18 32.29 53.78 1.79 0.05 0.07 0.17 57 N C T 75.68 10.20 18.00 29.04 95.87 -127.94 57.71 39.01 98.80 0.75 0.45 28.89 11.37 58.68 0.12 0.24 0.00 0.62 0.09 58 T E E 18.77 16.75 19.42 36.65 129.03 134.40 -119.53 148.88 44.87 55.09 0.04 39.91 3.38 0.15 0.01 0.03 0.00 55.98 0.54 59 L E E 10.46 21.20 23.34 44.39 117.88 -140.89 -102.14 131.80 5.11 94.88 0.00 4.96 0.15 0.01 0.00 0.00 0.00 94.73 0.16 60 V E E 13.20 20.29 25.86 45.55 120.55 -159.65 -111.94 129.84 1.76 98.24 0.00 1.70 0.02 0.00 0.00 0.00 0.00 98.25 0.02 61 F E E 6.28 24.26 24.11 47.80 127.52 -172.06 -124.07 140.41 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 62 L E E 26.78 17.39 27.35 44.43 115.92 -144.09 -102.37 125.95 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 63 T E E 4.36 24.48 19.59 44.11 132.39 -175.36 -129.39 152.26 1.53 98.46 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.40 0.07 64 H E E 48.16 12.11 23.17 35.82 112.11 -106.11 -72.06 136.93 30.00 69.92 0.08 29.59 0.71 0.08 0.01 0.06 0.00 68.97 0.57 65 L C T 66.35 14.95 17.25 32.23 91.49 -126.66 -61.92 -26.11 96.78 1.60 1.63 1.16 6.51 89.41 0.07 1.47 0.00 1.21 0.17 66 R C T 156.68 2.77 22.22 25.27 92.93 59.94 -86.62 -3.70 97.94 0.63 1.43 1.38 5.57 90.99 0.06 1.46 0.00 0.46 0.09 67 A C C 8.80 22.26 10.25 32.35 116.16 118.81 -69.68 142.51 97.82 1.49 0.69 66.42 30.95 0.60 0.21 0.42 0.00 0.61 0.79 68 N C C 75.06 4.07 24.61 27.83 125.69 -143.11 -94.82 163.67 94.98 4.80 0.22 94.06 0.96 0.05 0.16 0.02 0.00 0.72 4.03 69 K H H 87.76 15.71 14.80 29.84 91.36 -104.33 -58.83 -38.59 1.02 0.00 98.97 0.09 0.09 0.69 99.00 0.12 0.00 0.00 0.00 70 N H H 107.00 2.10 22.02 23.54 91.63 53.44 -63.96 -40.19 0.63 0.00 99.37 0.04 0.04 0.49 99.30 0.13 0.00 0.00 0.00 71 H H H 76.15 9.63 20.90 30.86 92.03 48.26 -66.04 -40.79 0.18 0.00 99.82 0.02 0.01 0.11 99.75 0.10 0.00 0.00 0.00 72 V H H 1.89 26.68 15.64 43.11 91.19 49.65 -63.50 -43.81 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 73 R H H 88.27 13.91 22.32 35.20 91.38 51.06 -61.92 -42.47 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 74 A H H 49.36 3.23 25.49 28.14 91.48 50.12 -63.47 -42.51 0.12 0.00 99.88 0.00 0.00 0.10 99.89 0.01 0.00 0.00 0.00 75 A H H 8.84 16.06 20.73 37.69 91.48 50.24 -64.05 -42.87 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 76 V H H 2.31 26.12 16.80 43.46 91.61 49.53 -64.26 -42.89 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 77 R H H 114.30 9.27 20.03 29.64 91.79 51.10 -63.77 -40.54 0.09 0.00 99.91 0.00 0.00 0.07 99.88 0.04 0.00 0.00 0.00 78 K H H 130.70 2.96 21.85 24.66 92.69 48.96 -67.96 -38.88 0.34 0.00 99.66 0.01 0.01 0.32 99.57 0.10 0.00 0.00 0.00 79 L H H 39.35 16.21 17.43 33.28 98.18 38.58 -83.10 -36.06 1.92 0.00 98.08 0.03 0.06 1.85 97.95 0.11 0.00 0.00 0.00 80 Y H H 31.69 19.56 15.15 34.29 107.88 19.04 -118.69 8.09 22.61 0.11 77.28 1.66 3.66 16.70 77.39 0.43 0.05 0.03 0.09 81 D C T 110.52 2.52 22.43 24.99 96.38 -122.82 38.96 49.25 99.57 0.14 0.29 30.44 10.10 59.11 0.13 0.10 0.00 0.09 0.03 82 I C C 15.51 21.85 11.23 32.86 127.64 141.16 -116.72 148.83 91.87 8.10 0.04 83.65 8.01 0.16 0.01 0.02 0.00 7.66 0.49 83 K C C 119.83 3.51 25.30 28.78 112.44 -130.90 -92.47 123.96 82.22 17.76 0.02 81.74 0.74 0.07 0.00 0.01 0.00 17.12 0.31 84 V E E 18.96 23.53 11.84 34.83 113.11 -148.05 -87.83 126.54 17.42 82.54 0.04 18.32 0.25 0.02 0.01 0.02 0.00 80.55 0.83 85 A E E 53.34 5.89 21.52 28.09 99.09 -174.73 -85.34 -36.06 15.14 84.81 0.05 8.24 6.56 0.39 0.00 0.05 0.00 84.65 0.11 86 K E E 94.69 5.14 24.10 29.95 138.45 -3.81 -151.94 151.55 3.99 95.99 0.02 2.66 0.95 0.13 0.00 0.02 0.00 96.21 0.03 87 V E E 30.82 22.20 13.68 34.98 122.61 -157.94 -122.85 128.20 3.28 96.72 0.01 3.06 0.11 0.00 0.00 0.00 0.00 96.78 0.03 88 N E E 54.41 8.58 23.18 32.27 126.72 -174.24 -124.60 144.60 1.28 98.72 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.79 0.01 89 V E E 45.14 16.23 16.26 32.50 121.74 -152.76 -112.45 131.88 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 90 L E E 46.18 10.84 18.00 30.30 122.55 -167.56 -117.04 136.13 0.42 99.58 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.61 0.01 91 I E E 82.26 8.03 15.11 24.75 114.41 -143.89 -101.37 122.62 1.19 98.81 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.56 0.26 92 R C C 72.82 9.38 9.99 21.04 122.30 -147.73 -85.25 162.39 96.56 3.42 0.02 96.88 0.25 0.03 0.00 0.01 0.00 2.66 0.18 93 P C T 119.51 1.48 10.62 13.14 90.76 -101.89 -59.85 -27.37 98.50 0.23 1.27 0.50 2.67 95.26 0.02 1.37 0.00 0.15 0.03 94 D C T 116.39 1.03 11.51 12.39 92.56 56.10 -86.07 -0.17 98.68 0.06 1.26 0.28 2.21 96.19 0.02 1.26 0.00 0.03 0.01 95 G C S 44.69 3.90 12.09 17.65 97.72 -101.92 88.29 6.24 98.47 0.40 1.13 14.12 82.14 2.39 0.07 0.92 0.00 0.19 0.16 96 Q C C 77.05 6.39 13.33 21.68 119.01 135.83 -79.73 147.28 95.52 4.45 0.03 94.48 1.56 0.09 0.01 0.01 0.00 3.27 0.59 97 K E E 74.87 11.67 15.01 27.80 119.00 -130.61 -97.93 137.57 1.29 98.71 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.50 0.23 98 K E E 60.11 12.82 19.68 32.87 131.24 -172.99 -129.91 149.14 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 99 A E E 9.98 19.75 18.71 38.84 124.29 -154.66 -114.91 139.88 0.25 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 100 Y E E 43.07 13.84 23.99 38.33 122.18 -162.26 -115.73 133.24 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 101 V E E 7.20 23.18 19.36 42.78 123.17 -164.50 -117.95 132.94 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 102 R E E 83.10 10.97 26.44 37.55 120.31 -160.73 -111.43 133.22 2.00 98.00 0.00 1.84 0.06 0.00 0.00 0.00 0.00 98.04 0.06 103 L E E 13.65 22.70 14.87 37.54 118.00 -138.80 -90.04 138.97 14.96 85.02 0.02 14.22 0.51 0.02 0.01 0.01 0.00 83.77 1.46 104 A C C 30.39 9.95 17.89 29.38 115.17 -108.63 -68.88 150.94 87.84 11.94 0.22 85.21 2.21 0.31 0.04 0.18 0.00 11.38 0.68 105 R C T 156.31 4.98 15.49 22.14 93.83 -107.31 -61.92 -29.20 95.12 1.17 3.71 2.84 10.18 82.25 0.51 3.07 0.00 0.79 0.36 106 D C T 117.61 1.54 17.54 18.45 96.62 52.07 -86.33 8.83 95.15 0.59 4.26 6.44 7.97 80.55 0.61 3.82 0.00 0.41 0.19 107 Y C C 51.06 18.34 9.70 26.94 114.95 125.31 -88.09 134.10 87.32 3.85 8.83 68.85 13.36 4.68 3.50 5.39 0.00 1.77 2.45 108 D C C 92.78 4.27 21.29 25.79 105.36 -153.93 -93.70 69.55 85.14 3.19 11.67 73.12 6.08 6.18 6.76 4.48 0.00 1.72 1.65 109 A C C 29.09 18.53 14.72 32.25 96.87 120.12 -70.99 -23.53 59.01 4.12 36.87 32.11 12.38 14.84 21.75 14.89 0.07 2.31 1.64 110 L C C 59.31 13.34 16.80 30.05 96.85 66.78 -75.53 -18.07 55.45 4.11 40.44 29.93 12.78 13.26 26.48 13.62 0.09 2.34 1.49 111 D C C 73.44 6.29 20.04 26.80 98.05 65.45 -82.10 -0.10 55.31 3.29 41.40 42.93 6.00 6.75 31.39 9.84 0.01 2.00 1.09 112 I H H 29.80 16.31 15.33 31.94 94.26 104.06 -67.17 -38.93 18.91 1.40 79.69 8.91 4.22 7.86 70.22 7.26 0.18 0.89 0.46 113 A H H 26.54 14.83 14.24 29.32 92.50 54.35 -64.39 -40.22 15.41 1.22 83.37 5.22 2.76 8.46 72.56 9.56 0.20 0.89 0.35 114 N H H 104.58 2.88 17.14 20.58 92.99 50.07 -67.72 -35.27 16.59 1.03 82.38 4.88 2.76 9.49 69.64 11.96 0.21 0.74 0.32 115 K H H 115.06 5.73 15.86 22.69 93.54 51.76 -71.55 -31.01 24.13 1.35 74.52 5.03 4.05 15.93 63.82 9.27 0.50 0.87 0.53 116 I C H 55.00 14.03 12.41 26.42 98.62 45.20 -91.35 -4.79 50.74 1.86 47.40 4.93 7.45 37.63 40.90 6.56 0.58 1.00 0.95 117 G C T 49.04 4.22 16.12 21.33 98.76 -114.09 74.54 15.85 94.10 1.95 3.94 21.82 8.98 63.99 2.20 1.27 0.00 1.26 0.48 118 I C C 70.84 11.09 11.60 23.47 108.03 127.43 -90.86 98.40 91.97 6.60 1.42 88.26 1.82 2.30 0.76 0.41 0.00 4.05 2.40 119 I C C 85.92 10.24 14.99 25.62 112.57 84.10 -97.92 117.89 99.30 0.68 0.02 99.25 0.17 0.05 0.01 0.00 0.00 0.47 0.05