# 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 103.19 7.56 13.33 22.08 119.85 -165.08 -107.75 136.53 99.89 0.11 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.06 0.01 1 N C C 109.79 3.64 15.31 20.19 113.17 -139.31 -93.27 125.10 89.01 10.92 0.07 88.56 0.82 0.30 0.01 0.04 0.00 9.42 0.85 2 I C C 51.21 17.54 9.85 26.45 120.42 -157.94 -103.21 132.97 64.02 35.89 0.09 60.03 2.90 0.22 0.02 0.07 0.00 33.73 3.04 3 R E E 135.19 4.14 21.30 26.22 119.93 -167.46 -118.11 128.36 41.97 58.00 0.03 41.15 0.98 0.04 0.01 0.02 0.00 55.99 1.82 4 P E E 43.74 17.87 12.67 30.00 114.82 -116.70 -69.59 143.52 35.55 64.20 0.24 34.29 0.95 0.20 0.10 0.15 0.00 54.92 9.38 5 L C C 74.21 9.47 17.53 27.76 114.17 -155.09 -102.85 122.85 88.22 10.33 1.45 73.82 10.82 3.19 0.25 1.46 0.00 8.04 2.43 6 H C T 95.00 6.78 19.76 26.85 124.71 -13.74 67.73 -144.86 90.50 7.44 2.06 6.31 37.87 46.48 0.16 1.97 0.00 6.00 1.20 7 D C T 70.63 11.88 18.35 30.32 100.44 -55.04 -82.42 59.17 93.30 4.96 1.74 11.10 36.00 46.07 0.12 1.79 0.00 4.47 0.46 8 R C E 61.43 14.45 21.07 35.63 131.63 115.60 -121.56 152.67 55.69 43.81 0.50 37.39 18.21 1.58 0.08 0.49 0.00 40.32 1.93 9 V E E 8.41 22.50 21.37 43.92 120.77 -139.88 -107.92 132.90 14.85 85.13 0.02 14.56 0.36 0.03 0.01 0.01 0.00 84.30 0.73 10 I E E 15.26 18.68 25.11 43.68 116.78 -151.83 -102.60 126.68 1.75 98.24 0.01 1.60 0.08 0.01 0.00 0.00 0.00 98.24 0.08 11 V E E 7.04 23.88 19.38 43.11 125.33 -170.29 -119.09 136.72 0.93 99.06 0.01 0.85 0.04 0.00 0.00 0.00 0.00 99.08 0.03 12 K E E 86.87 9.59 23.66 33.21 120.80 -152.35 -105.90 136.01 2.16 97.81 0.03 1.86 0.14 0.02 0.01 0.01 0.00 97.91 0.05 13 R E E 84.45 15.74 14.19 29.50 113.98 -120.40 -77.22 133.90 12.34 87.27 0.39 11.35 0.72 0.19 0.16 0.15 0.00 86.95 0.47 14 K C C 109.37 6.81 15.73 23.72 113.39 -154.39 -90.75 137.78 60.91 37.07 2.03 50.33 7.96 1.72 0.60 1.09 0.00 37.46 0.83 15 E C C 125.44 3.47 15.47 20.11 118.50 -104.47 -101.75 135.51 68.61 28.12 3.27 58.91 7.10 2.07 1.10 1.88 0.00 27.28 1.67 16 V C C 69.66 10.85 9.78 21.40 120.01 -153.28 -108.75 134.76 70.66 25.31 4.03 63.43 4.75 1.84 1.72 2.04 0.00 23.49 2.73 17 E C C 116.99 4.23 12.69 18.70 117.91 -152.65 -101.80 135.80 70.79 25.95 3.26 62.08 6.13 1.99 1.51 1.63 0.00 24.45 2.21 18 T C C 82.07 6.03 10.50 18.47 121.15 -156.19 -110.63 139.93 61.86 35.27 2.87 53.66 6.03 1.84 1.45 1.37 0.00 33.18 2.47 19 K E E 134.46 3.52 10.47 16.12 120.46 -156.60 -112.57 136.95 41.58 56.15 2.27 33.77 4.54 1.38 1.66 0.99 0.02 37.38 20.26 20 S C C 65.81 4.31 8.11 14.36 121.29 -145.55 -95.41 157.91 80.78 18.00 1.22 73.05 4.87 1.91 0.53 0.69 0.00 15.47 3.48 21 A C T 100.98 0.77 9.03 10.03 102.00 -94.17 -68.88 6.76 91.11 6.25 2.65 7.12 11.77 72.28 0.52 2.03 0.01 5.16 1.11 22 G C T 62.36 0.93 9.67 10.76 99.30 32.10 -78.27 0.47 96.41 1.09 2.49 4.83 13.05 78.48 0.38 2.15 0.00 0.85 0.26 23 G C S 49.77 3.24 10.27 14.96 105.26 -96.19 88.17 3.55 90.99 6.68 2.34 21.86 60.55 9.02 0.40 1.75 0.00 5.10 1.31 24 I C C 94.72 5.08 9.68 16.77 117.15 126.50 -94.60 134.31 66.09 32.92 0.99 48.31 15.84 1.78 0.59 0.56 0.00 26.05 6.87 25 V E E 82.05 5.93 11.83 19.67 116.29 -147.66 -100.40 128.69 26.78 71.96 1.27 20.17 4.42 1.10 1.01 0.50 0.01 49.26 23.54 26 L C C 81.99 8.25 11.56 21.33 114.23 -147.47 -92.16 132.30 58.85 38.78 2.37 47.12 7.88 2.73 1.52 1.04 0.00 36.58 3.13 27 T C C 82.91 5.28 13.58 20.18 116.30 -154.15 -99.44 146.75 74.86 16.00 9.14 44.25 19.19 12.04 5.86 3.33 0.03 12.77 2.53 28 G C S 44.52 5.63 13.93 20.56 106.42 -6.41 11.14 -37.97 68.15 4.89 26.96 22.00 24.20 23.73 15.81 9.53 0.18 2.67 1.88 29 S C C 69.28 4.62 15.04 20.55 100.41 57.31 -77.55 -21.96 58.41 4.74 36.85 24.02 15.72 20.45 21.02 14.13 0.17 2.57 1.93 30 A C C 47.10 10.13 12.48 23.42 97.66 66.38 -72.88 -24.97 50.18 5.96 43.87 24.70 11.43 15.65 24.47 17.98 0.17 3.49 2.10 31 A C C 54.00 9.56 13.02 23.40 99.12 71.45 -74.83 -24.11 51.50 6.06 42.43 25.19 11.75 16.13 24.65 16.40 0.18 3.62 2.08 32 A C C 73.00 4.50 15.85 21.27 101.69 66.42 -80.57 -10.40 60.33 5.51 34.16 27.77 15.17 19.04 19.18 13.55 0.14 3.19 1.96 33 K C C 117.19 6.76 16.65 24.36 113.98 73.66 -90.99 122.73 76.79 6.22 16.99 45.34 20.69 11.55 9.94 6.60 0.03 3.91 1.94 34 S C C 46.89 13.03 15.81 28.80 117.36 -139.15 -92.93 140.21 83.24 13.23 3.52 65.12 12.50 5.24 1.27 2.07 0.00 12.09 1.71 35 T E E 35.81 15.71 18.14 33.83 121.61 -159.13 -111.11 134.83 48.57 50.57 0.86 38.59 8.25 1.91 0.25 0.64 0.00 48.41 1.96 36 R E E 100.86 11.92 22.53 34.18 128.29 -163.67 -117.19 144.45 19.84 80.04 0.12 16.16 3.56 0.42 0.03 0.09 0.00 78.77 0.97 37 G E E 8.03 17.27 20.32 37.53 144.18 153.01 -161.31 174.64 5.25 94.74 0.01 4.05 0.98 0.05 0.00 0.01 0.00 94.77 0.13 38 E E E 78.63 8.47 25.96 35.32 122.57 -86.60 -110.03 138.25 0.86 99.14 0.00 0.74 0.05 0.00 0.00 0.00 0.00 99.17 0.03 39 V E E 10.46 24.03 16.05 40.72 109.95 -118.96 -77.89 124.01 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 40 L E E 55.83 9.88 24.10 34.90 99.65 175.71 -94.54 -33.81 0.76 99.24 0.00 0.50 0.13 0.01 0.00 0.00 0.00 99.35 0.01 41 A E E 30.02 10.52 25.76 37.22 141.56 -1.80 -157.12 152.05 1.20 98.80 0.01 0.83 0.20 0.02 0.00 0.00 0.00 98.94 0.02 42 V E E 26.94 22.36 16.58 37.86 124.99 -160.65 -125.10 134.08 6.03 93.92 0.04 5.17 0.66 0.09 0.01 0.03 0.00 93.60 0.44 43 G C C 15.85 12.47 19.43 32.47 126.00 -139.63 -85.24 172.40 63.02 36.81 0.17 43.60 16.82 1.91 0.02 0.18 0.00 36.76 0.71 44 N C S 106.62 4.38 22.51 27.24 102.88 -75.19 -78.89 44.97 76.72 23.01 0.27 34.41 36.68 4.99 0.02 0.33 0.00 22.85 0.73 45 G C C 14.99 17.64 13.14 30.05 123.53 -137.18 -35.36 171.17 59.51 40.28 0.22 42.12 13.79 2.46 0.02 0.25 0.00 40.70 0.67 46 R E E 109.09 6.98 19.43 27.39 127.30 -126.18 -123.06 148.69 8.32 91.63 0.05 7.17 1.05 0.11 0.01 0.03 0.00 90.86 0.77 47 I E E 83.18 8.39 13.42 23.43 115.54 -125.59 -93.37 129.32 1.78 98.21 0.01 1.69 0.09 0.01 0.01 0.00 0.00 90.30 7.90 48 L C C 54.18 8.64 9.16 19.58 122.18 -142.36 -85.88 165.15 92.21 7.76 0.03 92.92 0.31 0.06 0.00 0.01 0.00 6.07 0.64 49 E C T 167.60 0.85 10.58 11.67 92.06 -98.01 -62.83 -25.34 98.28 0.96 0.75 0.67 3.33 94.40 0.02 0.75 0.00 0.74 0.09 50 N C T 128.35 0.79 11.15 11.46 94.19 53.02 -86.78 1.23 99.21 0.09 0.70 0.25 2.70 96.26 0.01 0.71 0.00 0.05 0.01 51 G C S 43.68 5.11 10.27 17.17 96.67 -102.52 85.42 5.31 99.15 0.30 0.55 10.52 86.81 2.00 0.03 0.38 0.00 0.15 0.10 52 E C C 107.29 2.61 14.46 18.13 118.19 134.63 -82.16 144.41 97.70 2.28 0.02 94.82 3.03 0.11 0.00 0.01 0.00 1.73 0.29 53 V E E 64.48 12.83 10.10 23.40 116.05 -126.63 -92.80 130.52 2.76 97.23 0.01 2.64 0.13 0.01 0.00 0.00 0.00 87.46 9.74 54 K E E 98.33 5.62 17.35 24.36 125.68 -175.31 -123.93 143.51 12.70 87.29 0.01 12.03 0.43 0.03 0.00 0.00 0.00 87.10 0.40 55 P E E 82.25 7.33 16.64 25.25 114.93 -104.28 -65.90 144.84 31.07 68.85 0.08 28.56 1.76 0.18 0.02 0.06 0.00 66.31 3.11 56 L C C 29.11 19.88 11.23 30.49 116.45 -125.10 -88.01 137.51 94.93 4.97 0.10 84.85 9.57 0.67 0.01 0.11 0.00 4.28 0.51 57 D C C 106.80 2.51 23.53 25.75 101.68 -133.58 -86.57 56.01 95.81 4.13 0.06 85.90 9.63 0.58 0.01 0.06 0.00 2.78 1.04 58 V C C 10.88 24.09 10.49 33.94 123.68 142.97 -103.79 143.64 86.46 13.51 0.03 86.71 1.19 0.03 0.01 0.01 0.00 4.12 7.92 59 K C C 116.31 3.15 24.28 27.44 128.14 -159.40 -118.63 156.95 87.35 12.62 0.04 88.86 0.71 0.04 0.02 0.01 0.00 4.00 6.35 60 V C T 79.03 11.75 15.02 27.25 109.87 -82.00 -59.32 134.61 99.47 0.45 0.09 0.12 1.25 98.35 0.00 0.05 0.00 0.19 0.04 61 G C T 39.69 4.95 20.12 26.10 96.43 26.08 89.57 -6.98 99.90 0.07 0.02 0.18 1.45 98.30 0.00 0.01 0.00 0.05 0.00 62 D C C 29.97 14.49 16.98 32.75 117.94 135.20 -70.12 146.53 98.16 1.84 0.00 97.86 0.54 0.01 0.00 0.00 0.00 1.54 0.05 63 I E E 48.23 12.70 24.05 37.25 117.70 -132.50 -101.63 130.10 0.57 99.43 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.17 0.19 64 V E E 3.61 25.16 20.27 45.73 124.21 -168.91 -119.57 135.80 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 65 I E E 26.09 15.03 26.61 42.11 116.50 -151.86 -104.51 126.54 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 66 F E E 12.45 23.08 17.68 40.67 121.28 -161.74 -105.95 138.78 11.06 88.93 0.01 10.53 0.37 0.02 0.00 0.01 0.00 88.83 0.25 67 N C C 63.56 10.37 20.17 30.73 111.00 -132.94 -82.69 148.46 81.28 18.04 0.67 64.68 12.62 2.53 0.11 0.64 0.00 18.56 0.85 68 D C T 98.43 5.96 18.50 25.39 105.48 -82.07 -69.19 113.70 86.54 3.14 10.32 11.56 25.50 49.81 1.19 8.89 0.01 1.92 1.12 69 G C T 42.18 7.47 17.58 25.68 100.83 32.86 82.44 -4.61 87.49 2.04 10.47 12.39 21.83 53.10 1.26 9.38 0.01 1.17 0.86 70 Y C T 94.27 13.22 15.43 28.48 105.72 95.15 -89.47 19.65 81.25 6.80 11.95 26.05 25.01 31.16 1.68 9.87 0.02 3.76 2.44 71 G C C 28.84 10.41 19.36 30.05 103.44 61.83 79.27 11.26 86.17 10.88 2.94 42.30 22.98 21.28 0.38 2.88 0.00 8.84 1.33 72 V C C 40.28 19.87 12.25 30.82 117.82 121.82 -92.12 138.51 61.82 37.65 0.53 51.70 7.13 1.38 0.09 0.43 0.00 38.46 0.79 73 K E E 112.94 4.67 21.52 27.08 125.48 -168.08 -117.33 147.80 12.41 87.43 0.16 10.76 1.35 0.26 0.05 0.09 0.00 86.96 0.52 74 S E E 61.82 11.49 14.23 26.31 119.49 -126.61 -94.06 139.78 4.26 95.71 0.03 3.85 0.22 0.03 0.01 0.01 0.00 95.80 0.08 75 E E E 65.11 9.52 14.35 25.51 132.27 -172.24 -134.82 153.86 2.50 97.48 0.02 2.12 0.18 0.02 0.00 0.01 0.00 97.63 0.03 76 K E E 138.95 3.36 15.27 20.28 115.58 -125.48 -96.34 129.50 5.14 94.82 0.04 4.15 0.52 0.08 0.00 0.02 0.00 95.15 0.07 77 I E E 42.97 15.11 8.61 23.34 119.25 176.55 -128.79 121.38 10.15 89.63 0.22 5.66 2.83 1.56 0.03 0.19 0.00 89.23 0.50 78 D C T 115.51 2.43 12.53 16.16 94.12 -19.19 52.08 39.80 99.30 0.45 0.25 0.71 6.51 92.13 0.00 0.27 0.00 0.34 0.04 79 N C T 143.57 0.66 12.94 12.75 94.61 -48.10 68.20 11.30 99.60 0.21 0.19 0.81 7.19 91.61 0.00 0.22 0.00 0.15 0.02 80 E E E 85.28 7.39 11.60 20.87 125.35 104.22 -112.37 144.25 6.74 93.24 0.02 4.53 1.65 0.11 0.00 0.01 0.00 93.53 0.17 81 E E E 96.42 6.91 16.92 25.11 113.53 -122.74 -85.74 128.40 1.90 98.10 0.00 1.68 0.05 0.00 0.00 0.00 0.00 98.26 0.01 82 V E E 14.99 18.76 15.44 34.78 130.67 -175.29 -128.00 147.68 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 83 L E E 22.03 15.74 22.57 38.99 116.71 -131.45 -99.67 130.05 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 84 I E E 22.12 18.26 23.89 41.92 117.04 -156.39 -105.26 125.93 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 85 M E E 7.72 23.14 19.22 42.27 130.32 -175.18 -123.44 150.30 6.00 94.00 0.00 5.78 0.14 0.00 0.00 0.00 0.00 93.99 0.09 86 S E E 30.32 9.03 25.24 34.95 122.74 -125.53 -84.95 160.58 37.93 62.02 0.05 37.32 0.77 0.04 0.01 0.03 0.00 61.32 0.50 87 E H G 65.20 17.72 16.18 33.35 90.95 -108.84 -59.90 -32.82 5.26 0.24 94.50 0.69 0.72 3.21 0.68 94.47 0.00 0.22 0.01 88 S H G 74.63 3.78 23.20 27.79 90.07 64.43 -68.15 -18.54 4.84 0.22 94.94 0.30 0.54 3.47 0.50 95.00 0.00 0.17 0.01 89 D H G 23.04 18.18 18.37 36.86 94.22 55.87 -91.31 -6.26 6.01 0.25 93.73 0.80 0.78 3.40 0.39 94.41 0.00 0.21 0.01 90 I E E 9.43 24.56 16.14 41.18 111.39 98.51 -80.76 122.70 12.13 87.77 0.09 11.69 0.72 0.06 0.03 0.05 0.00 86.60 0.85 91 L E E 54.62 11.12 23.57 35.17 99.93 177.52 -94.73 -32.41 8.48 91.50 0.02 5.30 3.22 0.09 0.00 0.01 0.00 91.33 0.06 92 A E E 21.99 11.75 24.62 37.26 144.97 -6.74 -164.21 157.82 0.40 99.60 0.00 0.34 0.03 0.00 0.00 0.00 0.00 99.62 0.01 93 I E E 41.44 19.36 18.09 36.63 122.20 -140.14 -119.54 131.40 0.26 99.74 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 94 V E E 35.46 13.66 16.97 31.69 119.53 -161.80 -111.55 128.29 2.84 97.15 0.01 2.63 0.11 0.01 0.00 0.00 0.00 97.13 0.11 95 E E E 116.43 5.80 16.03 23.39 117.23 -151.80 -97.97 134.99 33.97 65.98 0.04 32.53 0.53 0.09 0.01 0.02 0.00 66.43 0.38 96 A C C 62.82 8.52 14.10 23.50 111.61 -105.35 -74.11 140.98 99.84 0.16 0.00 99.80 0.07 0.02 0.00 0.00 0.00 0.11 0.00