# 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 I C C 34.87 20.03 15.63 34.88 119.83 -160.50 -108.24 127.78 97.40 2.60 0.00 97.50 0.07 0.01 0.00 0.00 0.00 2.39 0.03 1 Q E E 102.26 5.66 21.19 27.82 119.48 -159.97 -109.93 131.29 26.40 73.47 0.12 26.84 0.34 0.09 0.06 0.05 0.00 70.63 1.99 2 M E E 51.03 19.03 11.21 29.11 115.08 -142.23 -91.24 128.17 20.74 78.93 0.33 19.30 1.05 0.27 0.15 0.17 0.00 75.39 3.66 3 T E E 79.82 5.21 19.19 25.05 102.80 -177.07 -100.38 -23.09 45.61 54.06 0.33 31.35 13.72 1.39 0.08 0.28 0.00 51.83 1.35 4 Q C S 95.02 6.56 19.14 26.59 129.62 21.29 -135.88 142.26 63.73 35.97 0.30 29.15 34.03 2.06 0.05 0.27 0.00 32.87 1.56 5 S C C 48.05 15.35 14.37 29.21 122.08 -142.61 -102.60 144.25 89.41 10.50 0.10 69.49 19.00 0.64 0.02 0.09 0.00 10.14 0.63 6 P C C 40.27 14.22 15.19 29.73 115.84 -92.27 -68.31 152.27 91.34 7.14 1.52 76.19 10.63 3.79 0.18 1.67 0.00 6.82 0.71 7 S C S 79.03 4.73 17.96 23.91 96.55 -137.35 -78.26 -23.00 84.44 14.05 1.50 29.06 48.58 6.46 0.13 1.49 0.00 13.41 0.88 8 S E E 60.10 6.10 19.76 27.03 135.36 10.79 -146.16 151.08 31.87 65.50 2.64 21.70 9.04 3.54 0.36 2.24 0.00 62.00 1.12 9 L E E 35.86 20.11 13.75 32.89 130.08 -173.24 -135.56 141.98 13.85 85.42 0.73 11.94 1.87 0.51 0.27 0.43 0.00 83.88 1.11 10 S E E 66.22 6.05 22.89 30.14 125.51 -161.72 -119.83 141.69 12.14 87.31 0.54 10.29 1.77 0.53 0.22 0.31 0.00 85.73 1.15 11 A E E 17.33 18.89 14.07 32.80 138.68 168.58 -146.41 158.44 28.72 70.20 1.08 23.11 4.76 1.35 0.31 0.69 0.00 68.79 0.98 12 S E E 56.48 4.84 23.11 27.86 123.70 -119.20 -95.21 154.52 47.56 50.35 2.09 35.29 9.48 3.96 0.60 1.61 0.01 46.22 2.84 13 V C T 60.10 15.47 13.80 29.02 109.41 -87.02 -61.81 134.34 83.04 12.41 4.55 7.08 16.51 60.22 0.57 3.90 0.02 9.83 1.87 14 G C T 44.61 5.27 19.61 25.64 96.65 19.84 88.68 -6.86 92.87 3.20 3.92 7.26 21.15 64.36 0.33 3.76 0.00 2.57 0.56 15 D C S 65.57 8.33 17.93 27.15 124.84 107.04 -92.13 154.87 88.04 9.18 2.78 26.07 48.21 13.91 0.27 2.66 0.00 7.80 1.08 16 R C C 124.19 8.40 19.73 28.91 120.05 -117.27 -98.59 137.92 61.40 38.38 0.21 55.77 3.24 0.52 0.03 0.16 0.00 39.64 0.63 17 V E E 11.73 22.76 14.25 37.08 124.83 -165.49 -120.98 137.32 4.89 95.10 0.01 4.62 0.17 0.01 0.00 0.00 0.00 94.95 0.23 18 T E E 62.81 7.92 25.27 33.67 118.47 -151.88 -109.82 128.59 1.23 98.77 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.79 0.03 19 I E E 5.88 25.35 16.57 42.62 120.50 -166.89 -114.76 129.07 2.00 98.00 0.00 1.84 0.07 0.00 0.00 0.00 0.00 98.07 0.02 20 T E E 44.77 9.26 26.70 36.65 121.59 -165.28 -113.62 134.41 5.28 94.72 0.01 4.71 0.21 0.01 0.00 0.00 0.00 95.01 0.06 21 C E E 5.43 25.28 16.44 42.03 128.85 -171.75 -128.51 143.24 6.57 93.42 0.01 5.85 0.35 0.02 0.00 0.00 0.00 93.66 0.11 22 R E E 106.52 7.16 26.84 34.68 121.31 -164.01 -115.75 132.16 5.71 94.26 0.03 5.24 0.34 0.04 0.01 0.02 0.00 93.69 0.66 23 A E E 12.01 22.91 13.75 36.11 121.47 -156.31 -100.62 142.91 39.70 60.02 0.27 37.41 1.72 0.30 0.09 0.18 0.00 58.12 2.18 24 S C C 55.55 6.90 19.74 27.20 112.26 -133.41 -85.34 146.52 82.61 16.71 0.68 49.19 29.64 3.77 0.09 0.70 0.00 15.59 1.01 25 Q C S 116.07 5.14 17.33 23.23 109.34 -19.68 -99.40 3.43 91.82 6.76 1.42 19.31 59.07 13.76 0.14 1.30 0.00 5.53 0.89 26 S C C 67.80 5.95 17.63 24.49 113.75 34.95 -98.37 129.45 93.21 5.09 1.70 55.74 25.05 12.32 0.22 1.83 0.00 3.82 1.01 27 V C C 56.72 14.89 14.72 29.18 113.71 -145.74 -94.01 125.56 88.48 8.91 2.61 49.04 25.18 14.46 0.43 2.53 0.00 5.90 2.46 28 S C C 45.36 11.12 19.64 30.95 117.10 -160.65 -95.86 135.28 88.46 9.69 1.86 52.60 22.32 13.50 0.22 1.94 0.00 8.16 1.27 29 S C C 40.65 14.21 19.65 33.43 104.96 -159.34 -99.02 -0.17 79.36 19.54 1.10 37.99 36.84 4.49 0.12 1.02 0.00 18.59 0.96 30 A E E 27.57 13.22 24.16 37.57 127.97 54.19 -123.19 146.16 28.37 71.25 0.39 23.68 3.98 0.68 0.07 0.31 0.00 70.50 0.78 31 V E E 3.29 26.14 19.14 45.92 124.20 -162.42 -119.44 134.16 5.46 94.52 0.02 4.97 0.34 0.03 0.00 0.01 0.00 94.49 0.15 32 A E E 18.19 15.04 27.46 42.70 124.04 -163.54 -116.42 140.59 0.99 99.01 0.00 0.89 0.04 0.00 0.00 0.00 0.00 99.05 0.02 33 W E E 10.45 24.22 21.21 45.34 123.59 -157.49 -114.22 139.30 0.65 99.35 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 34 Y E E 29.05 15.71 23.52 39.52 132.15 -174.69 -130.27 150.63 0.63 99.37 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.39 0.03 35 Q E E 42.85 14.60 20.99 35.84 122.67 -148.06 -115.18 135.15 2.95 97.05 0.00 2.43 0.27 0.01 0.00 0.00 0.00 97.20 0.08 36 Q E E 55.34 13.56 15.56 29.72 120.48 -152.67 -106.33 135.19 29.84 70.14 0.02 26.82 1.99 0.08 0.00 0.02 0.00 70.11 0.99 37 K C C 98.57 6.20 15.34 22.89 119.52 -138.18 -92.34 144.33 97.99 1.98 0.03 95.76 2.30 0.19 0.01 0.02 0.00 1.42 0.32 38 P C T 103.33 3.93 11.27 17.19 109.63 -86.84 -58.91 134.22 99.59 0.14 0.28 0.54 4.01 95.06 0.01 0.27 0.00 0.09 0.03 39 G C T 68.81 0.32 12.86 10.70 95.96 17.77 83.25 -3.00 99.62 0.10 0.28 0.66 3.93 95.01 0.01 0.30 0.00 0.07 0.02 40 K C S 109.09 4.42 10.49 17.08 128.25 92.83 -113.36 160.02 94.77 4.86 0.37 33.01 60.72 1.20 0.07 0.30 0.00 1.74 2.95 41 A C C 75.41 2.51 16.73 19.51 116.03 -97.98 -71.91 148.76 97.58 2.39 0.03 86.98 10.65 0.17 0.01 0.02 0.00 1.81 0.37 42 P C C 44.38 17.98 11.05 28.17 115.02 -102.82 -65.62 145.56 90.03 9.93 0.03 88.48 1.74 0.14 0.00 0.03 0.00 9.27 0.34 43 K E E 99.01 7.25 21.35 29.36 123.65 -154.75 -118.49 138.32 12.27 87.66 0.07 10.51 1.62 0.14 0.02 0.04 0.00 86.86 0.80 44 L E E 62.42 15.76 17.96 33.30 110.90 -116.87 -74.90 127.81 1.32 98.67 0.01 1.18 0.07 0.00 0.00 0.00 0.00 98.69 0.05 45 L E E 23.43 18.08 20.80 38.85 101.22 175.57 -95.60 -34.56 2.85 97.13 0.01 1.80 0.87 0.03 0.00 0.00 0.00 97.28 0.02 46 I E E 16.22 20.04 21.65 41.48 136.26 4.57 -147.76 143.56 0.43 99.56 0.01 0.34 0.03 0.00 0.00 0.00 0.00 99.61 0.01 47 Y E E 58.39 17.82 22.17 38.82 128.63 -171.74 -130.82 137.62 2.12 97.86 0.03 1.80 0.13 0.02 0.01 0.01 0.00 97.95 0.08 48 S E E 20.54 16.80 20.96 37.38 122.92 -171.14 -123.42 139.63 25.45 73.53 1.02 19.81 4.94 1.13 0.46 0.53 0.00 72.51 0.62 49 A C C 36.48 13.95 18.50 32.41 114.09 -161.87 -102.98 139.55 57.09 24.30 18.61 31.70 16.03 11.46 4.48 12.81 0.05 21.72 1.75 50 S C T 65.92 7.55 18.60 26.39 101.42 -117.92 -80.00 -12.58 63.59 7.07 29.33 21.57 19.81 24.47 7.54 19.88 0.12 4.83 1.78 51 S C C 60.12 7.64 17.97 26.19 109.84 48.76 -100.76 57.42 61.19 7.95 30.86 27.97 14.80 20.41 8.91 20.49 0.10 5.06 2.26 52 L C C 60.91 15.52 12.81 27.65 110.69 95.00 -91.29 115.91 62.88 12.43 24.69 39.76 12.63 11.08 10.80 13.77 0.09 8.18 3.69 53 Y C C 128.10 7.71 15.42 24.10 112.12 112.77 -100.16 114.51 66.08 15.50 18.43 39.58 13.30 13.76 9.24 8.95 0.13 9.90 5.14 54 S C T 77.14 4.98 15.54 21.89 111.09 -93.21 -89.17 127.22 82.87 7.53 9.60 22.17 16.88 44.54 4.19 4.82 0.04 5.01 2.35 55 G C T 50.15 4.89 16.98 22.90 101.69 13.10 84.97 0.65 93.15 3.75 3.10 22.92 26.42 44.27 0.62 2.34 0.00 2.54 0.91 56 V C C 41.03 16.10 11.84 27.89 117.78 109.52 -99.29 130.21 87.26 12.00 0.74 54.89 31.20 1.89 0.28 0.49 0.00 6.08 5.17 57 P C C 60.65 8.98 17.32 27.30 109.91 -109.15 -66.94 146.65 87.83 7.94 4.23 59.50 15.06 13.00 0.82 3.83 0.00 6.04 1.73 58 S C C 62.68 10.84 16.44 27.36 100.07 -123.03 -77.33 -3.36 83.62 10.07 6.31 45.25 21.20 17.55 0.79 6.03 0.00 7.81 1.37 59 R C C 115.25 8.79 20.16 29.20 103.06 69.05 -95.67 27.94 67.13 26.83 6.04 40.13 18.83 9.09 0.90 4.87 0.01 24.69 1.49 60 F E E 29.13 22.63 12.94 34.65 121.36 114.00 -106.65 136.20 25.22 74.06 0.72 21.40 3.63 0.88 0.27 0.44 0.00 71.88 1.50 61 S E E 55.51 6.24 23.90 31.18 132.57 -176.36 -133.63 153.12 8.85 90.96 0.20 7.76 0.89 0.20 0.08 0.09 0.00 90.31 0.68 62 G E E 23.32 19.12 14.52 32.15 140.31 169.84 -152.69 164.96 9.91 89.93 0.16 8.18 1.33 0.27 0.04 0.10 0.00 89.79 0.30 63 S E E 60.34 5.24 22.24 28.71 133.73 -160.23 -141.69 154.21 10.94 88.81 0.25 8.77 1.72 0.44 0.05 0.18 0.00 88.51 0.34 64 R E E 99.88 16.26 12.65 28.00 126.70 -161.79 -127.92 140.58 18.97 80.64 0.39 13.95 4.51 1.30 0.06 0.34 0.00 79.01 0.84 65 S E E 73.68 3.15 19.05 22.55 114.94 176.07 -123.19 107.07 39.12 59.89 0.99 21.34 11.44 8.17 0.13 0.96 0.01 56.49 1.45 66 G C T 42.69 5.82 17.94 24.44 109.57 -56.51 64.93 -126.89 98.51 0.96 0.54 2.61 35.41 60.55 0.02 0.58 0.00 0.72 0.12 67 T C T 62.34 12.69 15.49 28.38 98.18 -13.09 -100.33 -1.09 98.47 1.09 0.44 2.34 37.95 58.27 0.01 0.45 0.00 0.85 0.11 68 D E E 58.63 8.95 21.12 31.15 121.81 86.78 -105.42 135.07 24.93 75.00 0.07 17.06 7.84 0.72 0.01 0.08 0.00 73.03 1.26 69 F E E 8.60 24.12 15.61 40.21 126.23 -171.02 -124.06 140.10 7.27 92.73 0.00 6.92 0.18 0.01 0.00 0.00 0.00 92.71 0.18 70 T E E 33.59 10.20 26.86 38.15 122.62 -164.19 -118.61 132.96 1.97 98.03 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.20 0.03 71 L E E 3.20 25.94 18.87 45.67 119.42 -162.87 -112.69 128.82 0.30 99.70 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.68 0.00 72 T E E 39.49 10.15 27.14 38.09 120.66 -164.50 -115.57 128.77 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 73 I E E 7.55 24.03 16.35 40.90 116.60 -164.11 -111.46 124.60 2.42 97.57 0.00 2.49 0.03 0.00 0.00 0.00 0.00 97.10 0.38 74 S C C 48.00 7.18 22.65 30.06 120.39 -169.48 -99.29 159.21 92.96 6.97 0.06 49.22 37.86 4.42 0.00 0.11 0.00 8.18 0.22 75 S C S 68.46 4.35 23.81 28.28 98.12 10.58 57.32 58.62 99.04 0.93 0.03 12.30 81.44 5.32 0.00 0.05 0.00 0.81 0.09 76 L C C 19.40 23.64 10.28 33.27 113.98 -147.33 -77.99 131.42 99.14 0.84 0.01 97.40 1.83 0.03 0.00 0.00 0.00 0.29 0.44 77 Q C C 82.25 4.38 23.89 28.07 129.24 -173.42 -124.54 155.53 99.90 0.09 0.01 99.52 0.39 0.00 0.00 0.00 0.00 0.02 0.06 78 P H G 69.86 12.84 14.74 27.80 91.12 -106.50 -58.58 -32.83 3.58 0.02 96.41 0.18 0.22 2.35 0.36 96.88 0.00 0.01 0.00 79 E H G 127.64 3.48 20.91 25.09 89.91 62.62 -69.92 -17.43 2.77 0.02 97.21 0.09 0.15 1.95 0.25 97.54 0.00 0.02 0.00 80 D H G 20.86 19.14 16.21 35.59 94.03 60.10 -88.35 -3.35 3.50 0.04 96.46 0.40 0.33 1.72 0.35 97.17 0.00 0.03 0.00 81 F C C 47.74 18.05 18.79 36.61 115.70 102.40 -79.98 134.54 84.91 14.04 1.05 80.88 4.32 0.28 0.13 0.93 0.00 12.76 0.69 82 A E E 17.88 15.46 22.56 37.77 138.65 160.54 -146.82 173.94 14.92 85.03 0.05 13.10 1.74 0.11 0.01 0.03 0.00 84.17 0.84 83 T E E 41.16 12.74 24.92 37.90 120.14 -90.58 -103.31 136.70 1.97 98.02 0.01 1.73 0.15 0.01 0.00 0.00 0.00 98.05 0.06 84 Y E E 10.54 24.32 19.14 43.43 126.20 -167.35 -118.22 141.50 0.81 99.19 0.00 0.71 0.05 0.00 0.00 0.00 0.00 99.21 0.03 85 Y E E 40.35 14.66 26.56 41.34 130.92 -169.76 -127.00 147.38 2.08 97.90 0.02 1.78 0.13 0.02 0.00 0.01 0.00 97.98 0.08 86 C E E 4.97 24.19 20.01 44.32 124.26 -160.30 -117.65 136.99 8.69 91.11 0.21 7.09 1.20 0.24 0.06 0.10 0.00 91.08 0.23 87 Q E E 48.10 12.79 24.80 37.64 125.49 -168.42 -121.84 138.18 8.33 91.38 0.28 7.14 0.87 0.24 0.09 0.15 0.00 91.12 0.40 88 Q E E 44.82 17.09 17.40 34.06 122.44 -157.17 -111.00 137.66 14.61 84.94 0.46 12.09 2.16 0.60 0.15 0.29 0.00 83.87 0.84 89 S E E 46.07 9.57 16.66 27.21 121.33 -165.37 -115.96 144.65 35.99 63.56 0.45 27.40 7.31 1.83 0.09 0.38 0.00 61.82 1.16 90 S C C 63.93 7.43 12.39 21.06 111.70 -161.96 -109.07 85.20 71.81 27.22 0.97 40.43 22.14 9.55 0.14 0.92 0.00 25.31 1.51 91 S C S 90.36 1.71 13.96 16.06 104.86 -18.31 -88.79 1.72 94.51 3.94 1.55 24.36 44.82 25.50 0.18 1.45 0.00 3.05 0.63 92 S C S 77.08 3.13 13.50 17.77 118.57 11.15 -107.37 139.93 93.80 4.52 1.68 26.08 47.28 20.66 0.21 1.53 0.00 3.50 0.73 93 L C C 88.48 7.84 14.42 23.42 116.64 -91.02 -84.78 139.38 73.04 26.10 0.86 51.01 16.48 4.55 0.16 0.75 0.00 25.93 1.12 94 I E E 51.53 15.17 14.14 29.63 118.96 -146.99 -102.33 132.19 43.94 55.79 0.27 39.20 2.90 0.56 0.07 0.17 0.00 56.39 0.72 95 T E E 58.90 10.10 20.88 31.41 125.13 -165.28 -118.21 138.58 13.76 86.08 0.16 12.33 1.08 0.20 0.07 0.08 0.00 84.02 2.21 96 F E E 45.56 19.24 15.80 34.28 116.93 -151.47 -100.99 129.66 20.05 79.67 0.28 17.04 2.43 0.61 0.11 0.17 0.00 77.23 2.40 97 G C C 23.22 11.86 18.47 30.52 122.13 -137.97 -81.26 -169.27 68.55 30.73 0.72 41.23 19.53 7.23 0.09 0.68 0.00 30.39 0.86 98 Q C S 122.76 4.50 21.13 26.02 102.60 -51.19 -78.45 20.81 72.69 26.37 0.95 27.04 32.78 13.10 0.08 0.96 0.00 25.09 0.95 99 G C C 19.57 16.36 16.09 31.48 124.19 -120.14 95.19 173.80 64.27 35.27 0.47 39.30 18.51 5.25 0.04 0.52 0.00 35.80 0.58 100 T E E 38.55 15.15 18.00 33.22 124.51 -96.75 -114.36 140.88 22.18 77.75 0.07 19.87 1.34 0.14 0.02 0.05 0.00 78.18 0.40 101 K E E 113.33 7.58 21.00 29.62 117.91 -140.84 -102.91 131.20 3.20 96.77 0.03 2.84 0.24 0.03 0.01 0.01 0.00 96.62 0.25 102 V E E 25.63 19.69 12.84 32.24 121.07 -165.81 -114.35 131.84 4.78 95.19 0.03 4.54 0.17 0.02 0.01 0.01 0.00 95.02 0.22 103 E E E 114.11 4.20 20.16 25.22 116.44 -152.55 -103.57 129.28 16.41 83.54 0.04 16.59 0.28 0.05 0.02 0.02 0.00 82.26 0.79 104 I C C 44.14 18.79 13.20 31.09 113.02 -153.05 -94.43 125.23 98.86 1.13 0.00 98.99 0.05 0.01 0.00 0.00 0.00 0.93 0.01