# 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 D C C 100.82 3.90 21.02 25.02 104.27 -131.09 -79.48 68.07 99.82 0.18 0.00 99.72 0.12 0.02 0.00 0.00 0.00 0.13 0.01 1 I C C 32.60 21.31 10.45 30.46 119.01 -160.11 -99.97 131.84 59.74 40.18 0.08 58.71 0.55 0.14 0.01 0.04 0.00 39.86 0.69 2 Q E E 100.10 4.63 22.33 27.72 123.70 -168.45 -119.43 137.26 15.22 84.67 0.12 13.90 1.03 0.17 0.04 0.06 0.00 84.00 0.79 3 M E E 46.96 20.58 12.88 32.40 121.98 -157.68 -110.00 134.43 10.19 89.71 0.09 9.54 0.58 0.11 0.04 0.05 0.00 88.87 0.81 4 T E E 65.98 7.02 20.87 28.55 124.09 -170.74 -120.16 142.06 18.58 81.26 0.16 16.20 1.94 0.31 0.05 0.10 0.00 80.13 1.27 5 Q E E 78.42 13.32 15.76 29.04 125.99 -158.68 -122.83 140.35 49.64 50.14 0.22 37.14 12.00 0.98 0.05 0.20 0.00 48.42 1.20 6 S C C 55.41 10.01 16.78 27.43 120.90 -139.85 -100.02 146.32 84.20 15.63 0.17 54.66 27.65 1.45 0.02 0.18 0.00 15.29 0.74 7 P C C 56.73 9.13 16.62 26.60 116.56 10.21 -74.63 152.41 90.77 8.29 0.94 56.40 26.96 6.84 0.08 1.14 0.00 8.01 0.57 8 S C S 68.47 8.74 16.55 26.17 97.66 -149.64 -86.01 -19.26 80.29 19.05 0.66 24.76 48.82 5.36 0.04 0.71 0.00 19.63 0.67 9 S E E 57.46 6.34 20.39 27.94 134.88 21.08 -144.77 149.30 20.95 78.42 0.62 15.87 4.65 1.23 0.08 0.57 0.00 76.99 0.61 10 L E E 32.99 20.00 14.49 33.74 130.32 -175.45 -137.77 144.20 5.39 94.57 0.04 4.78 0.49 0.04 0.01 0.03 0.00 94.37 0.28 11 S E E 64.81 6.39 23.48 31.05 125.18 -160.24 -119.32 141.37 3.97 96.02 0.02 3.54 0.31 0.03 0.00 0.01 0.00 95.86 0.24 12 A E E 13.24 19.49 14.56 34.09 138.61 169.45 -147.49 159.96 17.02 82.94 0.05 15.00 1.31 0.08 0.01 0.04 0.00 83.13 0.43 13 S E E 54.41 4.95 23.76 28.54 124.87 -118.14 -93.36 159.72 37.08 62.77 0.14 33.51 2.83 0.34 0.06 0.11 0.00 56.78 6.37 14 V C T 61.98 14.93 14.13 28.95 109.25 -82.37 -60.26 134.49 98.56 1.11 0.33 0.41 3.30 95.27 0.01 0.22 0.00 0.65 0.13 15 G C T 46.19 4.11 19.90 24.70 95.84 22.32 88.80 -6.18 99.53 0.28 0.18 0.54 4.35 94.74 0.01 0.15 0.00 0.19 0.03 16 D C C 59.18 9.12 16.88 27.23 121.98 121.98 -79.70 153.10 95.84 4.08 0.08 61.66 34.15 0.40 0.01 0.08 0.00 3.25 0.44 17 T C C 77.31 8.12 19.49 28.67 120.86 -128.86 -104.55 137.68 74.32 25.67 0.01 74.91 0.40 0.02 0.00 0.00 0.00 24.15 0.52 18 V E E 12.36 21.97 14.69 36.65 127.67 -170.47 -126.02 142.61 1.12 98.88 0.00 1.16 0.02 0.00 0.00 0.00 0.00 98.67 0.16 19 T E E 63.21 8.13 24.89 33.49 120.01 -149.11 -112.05 130.49 0.44 99.56 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 20 T E E 4.53 25.32 16.66 42.50 122.57 -168.12 -116.31 132.77 1.98 98.02 0.00 1.86 0.06 0.00 0.00 0.00 0.00 98.07 0.02 21 T E E 41.71 9.70 27.00 37.46 121.82 -162.44 -115.22 134.82 6.51 93.49 0.00 5.98 0.18 0.01 0.00 0.00 0.00 93.78 0.05 22 C E E 3.52 25.96 17.02 43.58 125.23 -169.81 -122.36 139.03 7.12 92.88 0.00 6.48 0.27 0.01 0.00 0.00 0.00 93.13 0.10 23 R E E 102.16 7.60 27.62 36.09 120.49 -161.62 -116.03 130.26 3.85 96.14 0.01 3.63 0.18 0.01 0.00 0.01 0.00 95.49 0.67 24 A E E 9.22 24.01 14.29 37.92 125.33 -164.85 -110.91 146.72 33.74 66.14 0.12 31.92 1.52 0.18 0.03 0.08 0.00 64.54 1.72 25 S C C 40.93 8.49 19.76 28.97 119.49 -117.71 -84.11 163.72 79.11 20.22 0.68 65.22 10.84 2.14 0.12 0.63 0.00 19.38 1.66 26 Q C T 125.80 4.56 17.00 22.60 95.64 -90.83 -67.48 -22.13 89.20 3.53 7.26 10.13 33.17 46.66 0.99 5.71 0.00 2.52 0.82 27 D C T 104.38 3.08 19.72 22.93 100.13 50.72 -87.68 17.24 90.71 2.96 6.33 21.23 24.84 44.91 0.91 5.38 0.00 2.04 0.68 28 I C C 31.46 20.75 12.48 32.02 113.31 129.79 -90.27 126.36 83.05 8.65 8.30 51.32 19.91 11.40 1.74 7.03 0.01 5.52 3.08 29 S C C 44.46 11.10 20.32 31.43 116.69 -161.70 -101.12 156.31 86.31 7.99 5.70 63.19 13.66 9.17 0.95 5.09 0.00 6.44 1.49 30 N C S 82.86 10.10 22.08 31.77 100.47 -71.90 -90.80 -13.00 86.47 10.62 2.91 18.34 56.75 11.33 0.32 2.40 0.00 10.05 0.81 31 D E E 43.71 13.26 23.42 36.57 118.64 53.88 -107.08 136.66 42.35 55.60 2.05 30.01 8.02 4.13 0.23 1.82 0.00 55.14 0.63 32 L E E 4.47 25.73 18.97 44.94 127.06 -158.15 -122.31 142.16 6.27 93.71 0.03 5.68 0.43 0.03 0.00 0.01 0.00 93.63 0.21 33 A E E 12.27 17.07 27.74 44.76 131.76 -170.95 -130.43 148.70 0.66 99.34 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 34 W E E 8.62 24.62 22.60 47.13 124.63 -150.61 -113.14 138.63 0.45 99.54 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.00 35 Y E E 25.45 16.75 23.63 40.44 133.03 -174.06 -131.44 151.01 0.79 99.20 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.24 0.03 36 Q E E 43.39 14.44 21.13 35.84 121.68 -143.93 -112.70 134.91 3.81 96.18 0.00 3.19 0.32 0.01 0.00 0.00 0.00 96.36 0.11 37 Q E E 57.08 13.66 15.30 29.50 117.49 -146.25 -101.02 133.26 32.00 67.97 0.03 28.88 2.08 0.10 0.01 0.02 0.00 67.23 1.69 38 K C C 99.48 6.04 14.98 22.43 120.17 -143.71 -93.89 145.49 97.83 2.14 0.03 95.80 2.15 0.17 0.01 0.02 0.00 1.47 0.39 39 P C T 106.13 3.35 11.19 16.57 109.59 -84.16 -58.71 134.42 99.57 0.14 0.29 0.43 3.73 95.45 0.01 0.28 0.00 0.09 0.02 40 G C T 69.02 0.30 12.62 10.42 96.12 17.88 82.99 -2.97 99.59 0.11 0.30 0.55 3.72 95.30 0.01 0.33 0.00 0.07 0.02 41 K C S 113.81 3.98 10.51 16.62 128.64 92.91 -114.17 159.80 93.42 6.19 0.39 33.82 58.28 1.46 0.08 0.32 0.00 2.28 3.76 42 A C C 74.23 2.72 15.81 19.07 116.15 -96.44 -72.36 148.97 97.17 2.80 0.03 85.11 12.13 0.19 0.01 0.03 0.00 2.11 0.42 43 P C C 48.28 16.88 10.77 26.96 115.32 -103.68 -65.71 146.20 84.89 15.06 0.04 82.59 2.20 0.18 0.01 0.04 0.00 14.11 0.88 44 K E E 107.24 6.16 20.80 27.89 122.26 -147.95 -112.96 138.49 19.59 80.31 0.09 16.18 3.66 0.21 0.03 0.06 0.00 78.39 1.47 45 P E E 56.39 15.04 17.44 32.15 112.13 -108.36 -69.05 135.69 5.09 94.88 0.03 4.88 0.26 0.03 0.01 0.01 0.00 94.64 0.16 46 L E E 27.18 17.62 19.94 37.51 101.55 175.41 -95.64 -33.94 11.87 88.08 0.05 5.60 6.25 0.16 0.01 0.02 0.00 87.90 0.06 47 L E E 18.60 19.14 21.07 40.10 138.74 3.04 -151.02 146.16 0.79 99.20 0.01 0.65 0.08 0.01 0.00 0.00 0.00 99.22 0.03 48 Y E E 58.02 17.82 21.54 38.36 129.02 -170.84 -132.28 138.34 1.44 98.53 0.03 1.27 0.07 0.01 0.02 0.01 0.00 98.54 0.08 49 Y E E 57.75 15.47 22.25 37.20 122.10 -167.26 -119.10 131.40 18.50 80.53 0.97 15.19 2.65 0.67 0.47 0.40 0.00 80.07 0.55 50 A C C 26.44 16.23 18.23 34.30 118.53 -166.04 -112.47 136.88 52.98 29.31 17.70 37.04 10.46 6.69 6.08 10.38 0.03 27.74 1.56 51 S C C 53.81 8.98 18.96 28.22 107.60 -153.87 -91.04 -21.46 61.61 9.57 28.82 26.84 19.04 17.65 12.19 15.36 0.16 6.75 2.01 52 N C C 84.96 6.90 18.80 26.11 107.37 30.21 -101.89 71.97 60.68 7.19 32.14 30.54 14.18 17.04 15.21 16.20 0.12 4.22 2.48 53 L C C 53.84 16.93 11.92 27.68 102.68 90.69 -77.33 -15.98 53.76 5.51 40.73 28.32 11.97 14.07 20.93 19.36 0.13 3.03 2.19 54 E C C 129.64 4.10 16.04 21.25 99.33 74.30 -78.55 -10.78 54.18 6.62 39.20 22.57 11.79 20.71 19.18 19.04 0.25 3.87 2.59 55 S C T 70.81 5.30 14.89 21.32 100.94 56.56 -85.78 5.69 69.20 2.30 28.50 12.45 14.64 41.92 11.59 16.69 0.08 1.25 1.38 56 G C T 50.59 4.74 16.11 22.00 100.89 -94.99 84.56 4.02 93.61 1.97 4.42 22.02 24.01 47.92 1.01 3.18 0.00 1.12 0.72 57 V C C 41.87 15.00 12.10 27.57 116.83 131.03 -95.38 130.64 85.64 13.70 0.67 56.14 29.29 1.38 0.28 0.40 0.00 5.46 7.06 58 P C C 64.64 7.92 19.80 28.39 110.77 -110.60 -67.65 146.65 90.82 7.58 1.59 72.50 12.89 5.03 0.40 1.35 0.00 6.06 1.78 59 S C C 43.31 16.68 15.86 31.48 104.00 -131.37 -86.13 11.68 82.20 15.12 2.68 59.24 15.40 7.38 0.47 2.46 0.00 13.51 1.53 60 M C E 82.58 9.26 22.12 31.75 124.44 72.05 -120.58 138.93 52.61 45.65 1.75 36.62 13.86 2.96 0.47 1.23 0.00 43.13 1.73 61 F E E 35.21 22.34 14.29 35.75 125.33 -160.70 -117.34 140.28 17.02 82.64 0.34 15.02 1.88 0.38 0.15 0.18 0.00 80.98 1.41 62 S E E 56.13 6.82 23.54 31.39 133.34 -176.42 -137.00 154.70 8.75 91.09 0.15 7.63 0.86 0.19 0.05 0.06 0.00 90.69 0.51 63 G E E 25.78 15.47 16.21 31.13 140.99 152.89 -157.86 170.72 11.91 87.96 0.13 9.74 1.85 0.34 0.03 0.08 0.00 87.48 0.48 64 S E E 67.80 5.15 20.53 27.34 132.34 -156.90 -139.79 153.41 20.56 79.28 0.16 17.46 2.57 0.51 0.04 0.12 0.00 78.57 0.74 65 G E E 31.18 11.56 15.15 27.14 137.88 144.32 -151.69 167.41 42.33 57.41 0.26 26.13 14.89 2.62 0.03 0.27 0.00 55.07 0.99 66 S C E 77.12 3.35 20.76 24.48 114.29 -113.30 -116.15 108.07 60.58 38.61 0.82 29.05 25.15 8.37 0.11 0.89 0.00 33.49 2.94 67 G C S 31.33 11.41 18.26 29.38 106.76 -52.88 66.83 -121.27 97.73 1.52 0.75 3.14 54.15 40.61 0.03 0.75 0.00 1.13 0.19 68 T C S 58.46 13.66 17.02 30.50 98.29 -8.82 -99.70 -3.08 97.34 2.10 0.56 3.27 54.56 39.66 0.02 0.55 0.00 1.75 0.18 69 D E E 61.81 8.57 22.39 32.08 120.89 84.48 -108.52 132.21 33.32 66.49 0.19 23.68 9.40 1.23 0.03 0.22 0.00 62.86 2.58 70 F E E 7.91 24.49 15.73 40.63 129.70 -175.12 -128.45 144.34 13.36 86.63 0.01 12.68 0.43 0.03 0.00 0.00 0.00 86.41 0.44 71 T E E 36.23 10.12 27.03 38.24 123.61 -159.26 -118.67 134.55 5.66 94.34 0.00 4.86 0.33 0.01 0.00 0.00 0.00 94.71 0.08 72 L E E 3.06 26.08 18.72 45.73 119.86 -163.05 -113.47 128.51 0.53 99.47 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 73 T E E 40.72 10.08 27.23 38.10 119.89 -164.87 -115.45 129.39 0.16 99.84 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.01 74 I E E 7.40 24.06 16.58 41.17 117.36 -166.74 -114.50 123.94 2.37 97.63 0.00 2.48 0.02 0.00 0.00 0.00 0.00 97.10 0.39 75 S C C 46.94 7.40 23.05 30.67 123.93 -171.40 -108.27 158.40 91.68 8.26 0.07 49.24 37.00 3.85 0.00 0.12 0.00 9.55 0.24 76 S C S 66.14 4.61 24.03 28.81 97.32 11.25 60.46 57.40 99.01 0.97 0.02 10.94 83.93 4.13 0.00 0.04 0.00 0.87 0.08 77 L C C 17.11 23.96 10.48 33.94 113.80 -148.30 -75.86 133.25 99.17 0.82 0.01 97.38 1.87 0.03 0.00 0.00 0.00 0.28 0.43 78 Q C C 81.36 4.50 24.02 28.34 129.47 -172.77 -124.15 155.97 99.89 0.10 0.01 99.49 0.42 0.00 0.00 0.00 0.00 0.02 0.06 79 P H G 70.32 12.63 14.80 27.72 90.78 -106.14 -58.22 -32.86 3.77 0.02 96.21 0.20 0.23 2.41 0.29 96.87 0.00 0.01 0.00 80 E H G 132.06 2.89 21.09 24.49 89.78 62.17 -70.58 -16.64 3.02 0.02 96.95 0.10 0.16 2.08 0.21 97.44 0.00 0.02 0.00 81 D H G 18.22 19.59 15.95 35.87 93.95 61.67 -88.10 -2.57 3.87 0.05 96.08 0.50 0.38 1.75 0.30 97.03 0.00 0.04 0.00 82 F C C 50.61 17.45 19.00 36.30 116.40 104.32 -78.78 135.77 87.84 11.75 0.41 83.99 4.03 0.19 0.06 0.36 0.00 10.80 0.56 83 A E E 17.60 15.46 22.96 38.24 143.05 145.73 -159.11 177.08 14.63 85.34 0.03 12.75 1.70 0.10 0.01 0.02 0.00 84.77 0.66 84 S E E 29.17 13.48 24.99 38.69 122.06 -92.68 -106.13 139.50 1.70 98.30 0.00 1.52 0.12 0.01 0.00 0.00 0.00 98.31 0.05 85 Y E E 8.65 24.75 19.76 44.51 126.78 -165.07 -119.11 141.16 0.64 99.36 0.00 0.54 0.05 0.00 0.00 0.00 0.00 99.39 0.02 86 F E E 29.83 15.93 26.95 42.82 128.84 -166.19 -124.51 145.22 1.49 98.50 0.01 1.23 0.12 0.01 0.00 0.01 0.00 98.57 0.05 87 C E E 3.51 24.94 20.96 46.15 123.56 -157.43 -115.65 138.20 6.08 93.80 0.12 5.11 0.63 0.11 0.04 0.06 0.00 93.87 0.17 88 Q E E 37.27 13.98 25.32 39.38 125.40 -168.77 -120.66 140.04 7.04 92.73 0.23 6.09 0.61 0.15 0.08 0.11 0.00 92.61 0.34 89 Q E E 32.61 17.90 17.93 35.63 120.04 -153.16 -107.01 134.29 17.87 81.67 0.46 15.03 2.29 0.60 0.14 0.28 0.00 80.89 0.78 90 Y E E 95.79 9.86 17.58 28.31 113.78 -161.62 -100.24 120.46 46.72 52.51 0.77 33.00 11.65 3.26 0.15 0.64 0.00 50.04 1.25 91 N C C 80.19 7.62 13.66 22.51 120.66 131.53 -120.30 157.51 80.59 18.46 0.94 36.13 30.88 13.63 0.10 0.97 0.00 17.12 1.18 92 S C S 81.23 3.62 14.07 18.64 100.90 -86.41 -84.85 -4.88 95.67 3.54 0.79 22.46 54.34 18.94 0.07 0.85 0.00 2.78 0.56 93 Y C S 138.11 4.15 13.03 18.90 120.51 47.23 -112.25 136.86 93.88 5.55 0.56 22.22 63.02 8.73 0.06 0.58 0.00 4.49 0.89 94 P C C 79.70 5.71 15.52 22.42 114.04 -75.59 -69.76 146.98 87.64 11.82 0.54 55.17 25.31 6.55 0.06 0.60 0.00 11.59 0.71 95 R C C 84.45 14.86 13.39 28.08 118.47 -130.90 -97.31 136.73 57.99 41.66 0.34 49.98 4.94 1.28 0.06 0.29 0.00 42.66 0.80 96 T E E 58.40 9.86 20.28 30.72 125.80 -167.96 -120.71 140.68 16.26 83.57 0.18 14.39 1.41 0.28 0.07 0.11 0.00 80.83 2.90 97 F E E 58.63 18.03 15.74 32.97 119.48 -146.10 -103.21 135.29 18.34 81.40 0.26 15.35 2.42 0.60 0.10 0.18 0.00 77.68 3.68 98 G C C 22.26 12.05 17.57 29.96 122.05 -135.95 -81.01 -166.02 62.69 36.76 0.55 39.12 18.22 5.12 0.06 0.54 0.00 36.09 0.86 99 Q C C 123.45 4.30 21.26 25.91 103.11 -68.12 -75.77 29.33 69.30 30.04 0.66 33.63 28.24 7.20 0.05 0.69 0.00 29.40 0.78 100 G C C 20.23 16.63 15.23 30.83 126.45 -123.25 94.94 173.85 63.99 35.71 0.30 47.82 12.07 2.13 0.03 0.33 0.00 37.08 0.54 101 T E E 41.63 14.15 17.81 32.27 125.48 -105.36 -118.18 142.90 13.63 86.32 0.05 12.39 0.76 0.07 0.01 0.02 0.00 86.38 0.35 102 K E E 116.98 7.09 20.47 28.63 118.40 -139.83 -100.83 132.39 2.15 97.83 0.02 1.90 0.14 0.02 0.01 0.01 0.00 97.80 0.12 103 V E E 28.40 19.12 12.35 31.21 121.66 -165.30 -114.25 132.77 3.78 96.20 0.02 3.60 0.12 0.01 0.01 0.00 0.00 96.13 0.12 104 E E E 118.14 3.85 19.47 24.18 117.65 -152.10 -104.94 131.79 12.23 87.74 0.04 12.31 0.24 0.04 0.02 0.02 0.00 86.68 0.70 105 F C C 62.32 17.60 13.05 29.77 113.49 -149.03 -93.83 125.69 98.81 1.18 0.00 98.96 0.05 0.01 0.00 0.00 0.00 0.97 0.01