# 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 H C C 114.77 6.12 20.09 26.79 116.45 -114.95 -104.17 127.22 99.74 0.26 0.00 99.63 0.14 0.03 0.00 0.00 0.00 0.20 0.01 1 I E E 37.07 19.12 12.74 31.29 118.08 -156.00 -104.42 127.53 46.53 53.42 0.05 45.74 0.51 0.12 0.01 0.03 0.00 52.87 0.71 2 V E E 66.03 7.74 20.62 29.26 118.86 -163.49 -111.17 129.14 12.97 86.99 0.04 11.86 0.84 0.09 0.01 0.02 0.00 86.80 0.37 3 M E E 38.26 19.72 14.46 33.83 122.05 -164.31 -111.59 132.89 4.77 95.21 0.02 4.45 0.25 0.03 0.01 0.01 0.00 95.03 0.23 4 T E E 63.11 7.96 21.89 30.51 125.88 -171.18 -122.47 139.63 8.09 91.87 0.04 7.37 0.53 0.07 0.01 0.02 0.00 91.28 0.72 5 Q E E 59.23 17.00 14.30 30.66 127.43 -167.11 -125.08 142.06 37.36 62.53 0.11 30.00 6.85 0.46 0.02 0.10 0.00 61.60 0.98 6 S C C 58.43 6.74 19.20 26.66 121.31 -133.38 -92.48 150.04 77.15 22.69 0.16 47.33 27.94 1.14 0.02 0.16 0.00 22.74 0.67 7 P C C 72.01 7.88 17.46 26.15 113.58 -27.23 -69.14 147.02 86.96 12.79 0.25 58.77 24.65 2.28 0.02 0.29 0.00 13.57 0.41 8 L C E 67.36 14.32 14.70 28.92 102.30 -157.31 -92.66 -6.42 50.81 48.85 0.34 38.77 10.68 1.25 0.05 0.35 0.00 47.99 0.91 9 S E E 61.30 7.26 20.39 28.76 133.18 28.51 -137.40 148.44 14.44 85.50 0.07 12.68 1.44 0.14 0.01 0.05 0.00 85.23 0.45 10 L E E 33.40 18.89 14.53 33.01 127.95 -172.98 -133.04 138.73 3.18 96.82 0.00 2.88 0.20 0.01 0.00 0.00 0.00 96.79 0.11 11 S E E 69.26 5.01 23.33 29.16 116.43 -133.75 -91.76 134.76 2.94 97.05 0.00 2.73 0.14 0.01 0.00 0.00 0.00 97.01 0.10 12 V E E 14.53 21.71 12.69 34.07 133.34 176.30 -138.16 152.22 14.58 85.40 0.02 13.88 0.68 0.03 0.01 0.01 0.00 83.25 2.15 13 T C C 65.97 4.91 23.58 28.35 121.06 -125.28 -93.86 147.96 87.61 12.36 0.03 86.66 1.46 0.09 0.01 0.02 0.00 10.69 1.08 14 P C T 54.64 15.39 14.10 29.22 109.55 -88.97 -61.21 137.00 99.54 0.26 0.20 0.35 3.54 95.77 0.01 0.15 0.00 0.14 0.04 15 G C T 46.58 4.77 19.12 24.82 96.54 21.83 87.76 -5.42 99.72 0.14 0.14 0.49 3.90 95.37 0.01 0.12 0.00 0.09 0.02 16 Q C S 90.28 5.98 19.01 26.07 122.89 108.06 -94.34 145.03 95.53 4.42 0.05 45.83 50.49 0.23 0.01 0.04 0.00 2.63 0.77 17 P C C 77.48 8.34 18.63 27.75 116.24 -105.09 -68.47 147.54 92.65 7.34 0.01 92.09 0.98 0.05 0.00 0.01 0.00 6.56 0.32 18 A E E 10.25 22.58 14.08 36.40 125.81 -159.32 -118.94 145.59 7.26 92.72 0.02 6.87 0.30 0.02 0.00 0.01 0.00 92.15 0.65 19 S E E 58.13 7.44 25.25 33.39 122.11 -151.96 -116.57 135.88 1.24 98.76 0.00 1.21 0.04 0.00 0.00 0.00 0.00 98.64 0.10 20 I E E 6.79 25.63 15.81 41.96 124.05 -171.03 -122.43 134.67 4.40 95.59 0.01 4.30 0.17 0.01 0.00 0.01 0.00 95.35 0.15 21 S E E 43.67 8.80 26.75 36.01 125.95 -165.43 -117.01 143.30 17.44 82.53 0.04 15.94 0.77 0.06 0.01 0.02 0.00 83.04 0.17 22 C E E 6.84 25.11 16.51 41.67 132.48 -173.59 -137.23 148.51 21.94 77.95 0.11 20.29 1.06 0.11 0.03 0.05 0.00 77.79 0.67 23 K E E 90.61 8.36 26.51 35.49 125.75 -163.30 -124.89 139.85 13.79 85.89 0.32 12.16 1.45 0.31 0.19 0.17 0.00 81.31 4.41 24 S E E 14.70 22.48 15.06 36.74 121.56 -160.10 -108.53 145.10 39.36 57.75 2.89 34.61 3.48 1.21 1.38 1.58 0.00 54.44 3.30 25 S C C 53.43 8.18 21.26 29.83 108.63 -141.89 -90.81 102.45 71.52 16.33 12.15 38.77 25.81 8.19 5.56 5.93 0.04 13.79 1.90 26 Q C C 87.32 10.02 18.53 28.51 106.12 42.67 -87.50 23.45 61.92 8.57 29.51 25.68 24.45 13.54 16.60 11.49 0.22 5.88 2.14 27 I C C 85.91 11.22 17.27 28.40 106.87 83.57 -82.33 54.85 54.70 7.91 37.39 33.50 11.38 10.37 18.85 18.37 0.06 5.56 1.90 28 S C C 48.63 11.07 17.63 28.85 106.73 63.05 -87.34 77.28 53.28 9.07 37.65 33.32 9.75 10.77 16.71 20.88 0.07 6.24 2.26 29 S C C 44.01 12.63 17.59 30.16 102.24 54.80 -85.03 0.34 53.82 12.36 33.82 30.43 11.26 13.55 14.48 18.56 0.18 8.18 3.36 30 W C C 84.70 15.31 15.62 30.25 106.01 76.64 -89.35 36.30 61.22 15.43 23.35 29.25 16.37 17.41 11.34 10.70 0.59 8.55 5.80 31 G C C 34.77 9.42 16.09 25.95 113.63 38.62 -86.21 163.85 83.61 7.47 8.92 45.83 19.03 19.63 2.83 5.57 0.01 4.62 2.48 32 S C T 75.51 5.39 14.65 21.24 101.67 -98.60 -85.48 -5.25 86.36 4.68 8.95 30.16 22.45 34.78 2.01 6.23 0.01 2.59 1.76 33 D C T 99.49 4.23 16.04 21.00 100.01 51.88 -88.70 8.30 90.66 2.22 7.13 18.25 27.69 44.98 1.25 5.65 0.00 1.25 0.93 34 G C S 34.32 9.84 15.26 25.68 100.78 -99.72 82.36 4.34 91.81 4.27 3.92 19.72 46.65 25.68 0.45 3.50 0.00 2.87 1.13 35 K C C 87.72 10.03 19.71 29.97 116.32 117.31 -96.34 133.47 78.02 20.58 1.40 51.27 21.05 5.78 0.28 1.33 0.00 17.58 2.71 36 T C E 19.91 20.07 18.09 37.76 119.32 -150.55 -107.32 134.88 51.67 47.94 0.39 43.77 5.87 0.98 0.08 0.33 0.00 47.55 1.43 37 Y E E 36.56 16.03 25.14 41.02 131.99 -175.86 -130.59 149.81 12.45 87.52 0.04 11.08 1.07 0.07 0.01 0.02 0.00 87.28 0.47 38 L E E 3.84 25.84 21.38 47.68 121.19 -150.26 -111.87 132.43 2.28 97.71 0.00 2.02 0.13 0.01 0.00 0.00 0.00 97.80 0.04 39 Y E E 40.17 16.46 27.32 43.31 125.79 -169.16 -120.62 139.65 0.56 99.44 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.46 0.01 40 W E E 7.99 24.59 21.67 46.36 125.48 -160.40 -115.70 138.65 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 41 Y E E 25.36 16.42 25.14 41.60 131.57 -172.78 -129.24 148.06 0.21 99.79 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 42 L E E 20.54 18.21 21.35 39.64 119.73 -145.92 -107.26 132.77 0.92 99.08 0.00 0.76 0.05 0.00 0.00 0.00 0.00 99.16 0.03 43 Q E E 44.32 14.02 17.61 32.34 121.16 -160.78 -112.02 134.36 16.28 83.71 0.01 14.84 0.84 0.03 0.00 0.01 0.00 83.61 0.66 44 K C C 86.75 8.09 16.06 25.38 119.33 -142.12 -90.42 145.98 96.83 3.14 0.03 95.00 1.95 0.19 0.01 0.02 0.00 2.47 0.37 45 P C T 94.75 5.59 11.96 19.42 109.43 -87.86 -58.73 134.69 99.74 0.08 0.18 0.29 3.30 96.18 0.00 0.17 0.00 0.04 0.01 46 G C T 69.56 0.24 13.44 10.61 94.32 18.47 83.12 -3.01 99.77 0.05 0.18 0.38 3.13 96.26 0.00 0.18 0.00 0.03 0.01 47 Q C S 86.33 5.88 9.77 17.77 129.31 97.79 -114.31 157.97 95.29 4.51 0.20 38.00 56.85 0.71 0.04 0.15 0.00 1.57 2.68 48 S C C 82.31 1.61 17.86 18.85 116.99 -97.53 -68.57 150.68 97.98 1.99 0.02 89.10 8.83 0.18 0.00 0.02 0.00 1.60 0.26 49 P C C 45.78 18.12 11.30 28.56 114.90 -98.95 -65.08 144.04 94.36 5.62 0.02 91.68 2.44 0.14 0.00 0.02 0.00 5.55 0.16 50 Q E E 77.06 8.84 21.12 30.68 125.37 -162.19 -121.62 138.29 7.58 92.38 0.04 6.67 0.74 0.07 0.01 0.02 0.00 92.02 0.47 51 L E E 62.12 15.45 19.04 34.06 110.63 -115.80 -74.07 126.87 0.77 99.22 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.24 0.02 52 L E E 16.65 19.89 20.54 40.37 101.38 175.52 -95.63 -34.71 2.34 97.65 0.02 1.63 0.55 0.02 0.00 0.00 0.00 97.77 0.01 53 I E E 14.12 20.30 21.67 41.81 137.43 4.95 -149.44 143.88 0.43 99.56 0.01 0.35 0.03 0.00 0.00 0.00 0.00 99.61 0.01 54 Y E E 51.31 17.97 21.65 38.73 125.84 -170.47 -128.83 132.03 1.42 98.55 0.03 1.21 0.07 0.01 0.01 0.00 0.00 98.67 0.03 55 E E E 50.78 14.34 21.81 36.01 117.43 -165.19 -113.46 122.61 10.64 89.13 0.23 8.65 1.33 0.27 0.09 0.10 0.00 89.27 0.29 56 V E E 41.97 14.97 18.22 33.18 109.32 -171.49 -102.76 43.96 43.39 54.61 2.00 28.28 12.06 4.86 0.56 1.35 0.00 51.83 1.06 57 S C C 47.85 9.00 18.96 28.30 116.43 55.06 -110.08 158.80 74.35 20.96 4.68 27.93 26.91 21.03 0.97 3.37 0.03 17.91 1.85 58 S C S 65.17 8.89 16.87 26.05 105.01 -68.83 -89.71 9.65 82.50 10.38 7.13 22.75 32.62 28.45 1.38 5.06 0.03 7.91 1.80 59 R C C 124.56 7.52 16.89 25.31 115.98 80.26 -106.72 124.54 66.40 27.01 6.59 35.08 17.98 15.70 1.84 4.62 0.07 20.56 4.14 60 F C C 70.84 15.90 12.06 27.45 117.16 -159.24 -100.66 129.04 64.92 29.70 5.38 43.44 12.90 9.31 1.72 3.86 0.02 24.02 4.73 61 S C C 72.30 5.10 17.58 23.98 117.83 -163.41 -103.24 138.04 72.22 23.93 3.85 29.71 17.26 27.23 0.99 2.67 0.02 19.50 2.62 62 G C C 45.90 5.91 17.97 24.69 107.04 21.58 88.65 -2.03 80.77 16.40 2.83 28.07 26.16 27.75 0.47 2.35 0.01 13.28 1.92 63 V C C 36.87 18.21 11.91 29.26 115.23 118.98 -96.29 126.59 81.35 16.50 2.15 60.96 16.16 3.78 0.75 1.58 0.00 12.29 4.48 64 S C C 53.56 9.19 16.61 26.48 109.54 -124.82 -72.11 148.65 77.05 11.22 11.73 45.91 15.03 16.35 2.17 9.91 0.01 8.64 1.98 65 D C C 103.78 5.29 18.18 24.36 96.62 -107.03 -77.03 -6.87 74.68 8.66 16.65 29.52 22.43 24.38 2.14 13.80 0.04 6.35 1.35 66 R C C 93.04 12.10 18.12 30.07 100.87 68.61 -95.31 2.32 67.42 17.57 15.01 31.70 21.79 15.61 2.26 12.01 0.04 15.13 1.45 67 F E E 25.91 22.75 13.61 35.62 121.12 90.45 -110.11 133.93 29.87 66.31 3.82 22.26 6.66 2.70 1.59 2.12 0.02 62.46 2.18 68 S E E 54.86 7.23 23.17 31.48 131.99 164.62 -135.18 153.25 13.16 86.48 0.36 11.32 1.62 0.41 0.19 0.18 0.00 85.04 1.25 69 G E E 23.66 17.34 15.96 32.35 140.32 162.58 -155.24 166.73 11.18 88.68 0.15 9.37 1.59 0.35 0.05 0.08 0.00 87.99 0.58 70 S E E 64.55 5.55 20.98 28.28 135.17 -162.34 -143.15 157.14 16.77 83.08 0.14 14.29 2.14 0.39 0.04 0.09 0.00 82.32 0.73 71 G E E 30.99 10.31 15.77 26.86 138.74 137.55 102.40 171.66 35.45 64.34 0.20 25.53 9.60 1.49 0.03 0.21 0.00 61.95 1.19 72 S C C 76.84 3.37 20.76 24.71 118.17 -98.50 -121.79 130.65 58.16 41.17 0.67 39.28 15.80 4.67 0.12 0.73 0.00 35.90 3.50 73 G C S 32.39 10.79 18.62 29.45 109.48 -47.55 65.72 -129.08 98.02 1.06 0.91 2.90 51.31 43.98 0.03 0.92 0.00 0.71 0.16 74 T C S 54.08 14.57 16.54 31.02 97.88 -11.53 -99.35 -1.75 97.81 1.36 0.82 2.91 51.43 43.68 0.03 0.79 0.00 0.97 0.18 75 D E E 63.70 8.43 22.63 32.16 119.03 85.37 -106.05 127.99 45.22 54.37 0.41 28.70 15.85 2.41 0.06 0.48 0.00 49.77 2.74 76 F E E 7.94 24.66 15.77 40.85 128.36 -175.41 -126.57 144.02 25.53 74.45 0.02 23.80 0.89 0.08 0.00 0.02 0.00 74.67 0.55 77 T E E 34.29 10.23 27.23 38.58 122.75 -161.35 -119.44 134.28 7.61 92.39 0.00 6.88 0.23 0.01 0.00 0.00 0.00 92.80 0.09 78 L E E 2.80 26.43 18.71 46.12 119.45 -162.70 -112.23 128.49 0.57 99.43 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 79 K E E 75.23 9.67 27.52 37.70 118.91 -163.45 -114.39 126.41 0.20 99.80 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.02 80 I E E 6.67 24.65 16.41 41.70 117.04 -167.96 -113.95 122.41 4.18 95.82 0.00 4.44 0.04 0.00 0.00 0.00 0.00 94.81 0.72 81 S C S 44.37 7.51 23.40 31.07 127.82 -173.48 -110.34 159.89 92.45 7.52 0.02 44.13 45.46 1.76 0.00 0.04 0.00 8.43 0.17 82 R C S 146.29 3.63 23.90 27.58 95.68 10.89 57.57 53.91 98.52 1.47 0.01 6.86 90.02 1.73 0.00 0.01 0.00 1.28 0.09 83 V C C 11.22 24.71 10.38 34.88 115.15 -157.40 -76.99 134.82 99.15 0.84 0.01 98.48 0.92 0.01 0.00 0.00 0.00 0.37 0.21 84 Q C C 78.86 4.63 24.99 29.32 132.74 -174.07 -125.35 161.42 98.56 1.40 0.04 98.81 0.21 0.01 0.01 0.01 0.00 0.26 0.70 85 A H G 50.58 14.46 15.35 29.61 91.15 -101.86 -58.87 -32.89 2.51 0.02 97.47 0.18 0.18 1.48 0.23 97.91 0.00 0.02 0.00 86 E H G 126.06 3.60 22.14 26.48 89.55 63.08 -70.46 -16.45 2.15 0.03 97.82 0.09 0.14 1.40 0.17 98.18 0.00 0.02 0.00 87 D H G 9.99 22.09 16.55 39.12 92.96 63.79 -83.91 -5.57 3.06 0.04 96.91 0.37 0.28 1.38 0.21 97.72 0.00 0.03 0.00 88 V C C 36.30 17.39 19.71 37.20 115.34 111.35 -70.33 137.62 97.92 2.06 0.03 95.74 2.35 0.06 0.00 0.02 0.00 1.73 0.10 89 G E E 11.60 10.59 24.51 37.24 141.73 77.13 148.51 -168.34 3.91 96.08 0.00 3.37 0.49 0.01 0.00 0.00 0.00 95.80 0.32 90 L E E 37.25 15.51 25.22 40.75 119.29 -40.55 -100.87 134.30 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 91 Y E E 6.69 25.21 21.62 46.85 123.67 -164.88 -115.63 138.26 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 92 Y E E 21.19 19.67 27.72 46.50 130.80 -171.41 -127.57 146.61 0.44 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 93 C E E 2.23 25.55 24.14 49.60 124.00 -156.93 -115.59 137.27 1.20 98.80 0.00 1.05 0.04 0.00 0.00 0.00 0.00 98.88 0.02 94 M E E 17.79 19.22 26.27 44.70 128.81 -168.96 -122.21 143.23 1.20 98.80 0.00 1.07 0.05 0.00 0.00 0.00 0.00 98.82 0.06 95 Q E E 28.08 18.97 21.89 40.12 126.97 -166.47 -123.45 140.72 5.66 94.31 0.02 4.77 0.56 0.06 0.00 0.01 0.00 94.33 0.25 96 G E E 16.62 13.81 19.46 33.53 124.28 -156.26 -113.10 148.36 38.70 61.20 0.10 32.44 4.60 0.54 0.02 0.10 0.00 61.54 0.76 97 L C S 73.16 11.35 15.86 27.48 107.04 -163.97 -99.00 -17.62 80.38 18.89 0.73 26.85 40.51 13.28 0.08 0.76 0.00 17.21 1.30 98 H C S 131.22 3.60 17.07 21.22 105.60 13.38 -96.13 -16.31 96.22 2.98 0.81 14.97 59.42 21.91 0.07 0.82 0.00 2.33 0.48 99 L C S 98.17 4.72 14.43 20.58 119.67 9.22 -114.69 138.05 95.44 3.85 0.71 19.00 65.50 11.01 0.06 0.73 0.00 3.08 0.61 100 P C C 77.86 5.63 17.57 24.05 114.78 -62.50 -69.12 148.93 82.78 16.82 0.40 57.70 19.79 3.93 0.05 0.45 0.00 17.37 0.71 101 L E E 50.85 17.79 13.87 31.10 115.11 -114.28 -77.81 137.40 49.63 50.24 0.13 45.02 2.49 0.43 0.02 0.12 0.00 51.43 0.49 102 T E E 47.51 11.30 22.41 34.00 126.65 -170.36 -122.62 144.02 6.70 93.26 0.04 6.02 0.47 0.07 0.01 0.02 0.00 91.66 1.75 103 F E E 52.99 19.60 17.64 36.29 119.57 -142.90 -102.44 134.73 10.43 89.52 0.05 9.05 0.97 0.14 0.02 0.03 0.00 87.66 2.12 104 G C C 16.13 14.83 18.90 33.64 122.99 -141.22 -84.61 -173.27 61.51 38.37 0.12 45.10 13.62 1.50 0.01 0.12 0.00 39.03 0.62 105 Q C C 114.02 5.68 23.47 29.60 101.84 -72.41 -76.12 23.79 74.20 25.68 0.11 58.45 12.81 1.12 0.01 0.12 0.00 27.02 0.47 106 G C C 13.56 19.29 17.43 35.46 128.41 -136.47 80.92 175.45 67.74 32.19 0.07 60.63 4.62 0.35 0.01 0.06 0.00 33.93 0.40 107 T E E 23.22 17.94 19.77 37.64 127.68 -111.31 -122.16 143.97 10.13 89.86 0.01 9.43 0.35 0.02 0.00 0.00 0.00 89.91 0.28 108 R E E 108.37 10.12 24.19 34.47 120.19 -142.37 -104.79 133.58 0.99 99.00 0.00 0.90 0.04 0.00 0.00 0.00 0.00 99.02 0.04 109 L E E 11.94 23.35 15.31 38.78 119.72 -160.51 -110.54 130.81 1.05 98.95 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.91 0.03 110 E E E 87.49 6.56 23.96 30.97 119.37 -161.71 -111.01 129.51 2.40 97.59 0.00 2.40 0.07 0.01 0.00 0.00 0.00 97.37 0.14 111 I E E 29.05 20.24 11.51 31.15 116.34 -155.44 -101.18 126.70 19.05 80.92 0.03 19.34 0.18 0.02 0.01 0.01 0.00 79.71 0.72 112 K C C 127.68 4.17 19.62 24.62 114.85 -154.00 -93.81 131.52 99.46 0.54 0.00 99.53 0.05 0.01 0.00 0.00 0.00 0.40 0.01