# 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 E C C 124.91 3.98 20.43 24.82 108.11 -137.88 -87.01 102.84 99.83 0.17 0.00 99.76 0.10 0.02 0.00 0.00 0.00 0.12 0.00 1 I C C 37.02 20.27 10.74 29.93 117.64 -153.62 -99.77 129.13 66.67 33.27 0.06 65.94 0.47 0.12 0.01 0.03 0.00 32.84 0.58 2 V E E 76.23 5.53 21.48 27.77 120.74 -166.48 -116.24 132.33 19.69 80.22 0.08 18.02 1.37 0.17 0.03 0.05 0.00 79.67 0.69 3 L E E 40.10 20.11 13.22 32.67 120.08 -156.98 -106.98 131.36 8.56 91.40 0.04 8.14 0.42 0.06 0.02 0.02 0.00 90.71 0.63 4 T E E 62.97 7.62 21.45 29.66 125.29 -172.40 -123.65 143.02 12.79 87.14 0.08 11.59 0.97 0.13 0.03 0.04 0.00 85.92 1.33 5 Q E E 71.34 14.96 15.38 29.99 125.54 -160.50 -124.11 139.30 42.48 57.39 0.13 33.85 8.16 0.57 0.03 0.12 0.00 55.90 1.36 6 S C C 55.85 9.31 17.55 27.58 121.94 -139.50 -102.79 147.52 84.63 15.29 0.08 62.55 20.67 0.74 0.01 0.08 0.00 15.31 0.64 7 P C C 58.42 9.04 16.84 26.66 115.90 14.86 -72.76 152.72 92.04 7.69 0.27 64.69 23.82 2.88 0.03 0.33 0.00 7.83 0.43 8 S C S 64.40 9.58 16.64 26.88 97.42 -148.87 -85.09 -20.89 80.20 19.62 0.18 27.22 49.53 2.10 0.01 0.20 0.00 20.49 0.46 9 T E E 70.00 6.86 19.92 28.02 132.05 28.03 -137.78 143.09 14.97 84.94 0.09 12.31 2.24 0.20 0.01 0.07 0.00 84.80 0.36 10 L E E 30.49 19.74 14.83 34.02 130.63 -175.55 -135.98 143.36 1.79 98.20 0.00 1.64 0.09 0.00 0.00 0.00 0.00 98.17 0.09 11 S E E 64.13 6.64 23.35 31.24 125.15 -160.73 -119.54 140.53 1.82 98.18 0.00 1.67 0.10 0.01 0.00 0.00 0.00 98.14 0.08 12 A E E 11.82 19.47 14.68 34.37 138.60 168.55 -147.69 159.93 13.26 86.72 0.02 12.13 0.60 0.04 0.00 0.01 0.00 86.91 0.31 13 S E E 54.44 4.91 23.79 28.47 123.80 -115.79 -89.13 159.67 38.62 61.23 0.15 35.18 2.56 0.33 0.06 0.11 0.00 56.81 4.95 14 V C T 61.81 14.84 14.36 29.16 109.33 -81.67 -59.70 135.02 98.64 0.91 0.45 0.43 3.53 95.09 0.02 0.31 0.00 0.52 0.12 15 G C T 44.95 4.42 20.16 25.30 95.72 23.16 88.77 -6.04 99.43 0.27 0.29 0.64 4.28 94.61 0.01 0.24 0.00 0.18 0.04 16 D C C 56.75 9.75 16.85 27.77 120.86 123.45 -77.91 151.30 96.72 3.13 0.15 66.89 29.64 0.50 0.03 0.13 0.00 2.36 0.45 17 R C C 129.80 7.84 19.72 28.79 120.97 -127.61 -102.61 136.65 69.89 30.10 0.01 70.41 0.51 0.03 0.00 0.01 0.00 28.36 0.68 18 V E E 12.14 22.20 14.65 36.79 129.43 -172.88 -129.29 144.31 0.99 99.00 0.00 1.01 0.02 0.00 0.00 0.00 0.00 98.90 0.08 19 T E E 63.23 7.75 25.05 33.28 117.95 -145.72 -108.01 128.45 0.33 99.67 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 20 I E E 4.92 25.62 16.36 42.79 120.39 -166.63 -115.22 129.15 1.41 98.59 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.65 0.01 21 T E E 44.39 9.24 26.99 36.95 121.42 -165.53 -113.63 134.37 5.83 94.17 0.00 5.30 0.12 0.00 0.00 0.00 0.00 94.54 0.03 22 C E E 4.44 25.74 16.67 42.87 127.75 -173.62 -126.51 141.76 5.53 94.47 0.00 5.09 0.15 0.00 0.00 0.00 0.00 94.69 0.07 23 R E E 101.94 7.49 27.49 35.82 120.94 -164.74 -118.32 131.96 3.38 96.61 0.01 3.16 0.14 0.01 0.00 0.01 0.00 96.12 0.56 24 A E E 8.76 24.00 14.24 37.98 123.31 -164.23 -110.81 142.46 29.99 69.70 0.31 28.96 1.09 0.17 0.12 0.17 0.00 67.75 1.74 25 S C C 50.13 7.68 20.69 28.79 111.67 -137.22 -89.99 158.83 80.79 18.18 1.04 46.41 30.56 3.76 0.14 1.03 0.00 17.12 0.97 26 Q C S 113.81 5.61 18.42 24.68 102.16 -47.95 -86.29 4.24 91.59 5.74 2.66 19.63 57.87 14.55 0.33 2.23 0.00 4.44 0.95 27 S C C 54.57 8.65 17.38 26.71 118.67 56.34 -102.81 140.75 93.15 3.68 3.16 58.03 21.82 12.93 0.45 3.25 0.00 2.47 1.05 28 I C C 71.03 13.60 16.26 29.59 100.09 -137.85 -85.85 -7.09 91.56 4.15 4.28 36.82 28.39 26.52 0.59 3.94 0.00 2.43 1.30 29 N C C 62.77 12.30 19.31 31.49 107.51 81.75 -90.86 66.40 91.82 4.76 3.42 42.79 24.46 24.57 0.38 3.45 0.00 3.48 0.87 30 N C S 60.77 13.01 21.02 33.66 106.05 74.77 -98.40 5.70 89.08 9.23 1.68 32.02 50.46 6.59 0.16 1.54 0.00 8.43 0.80 31 W E E 59.21 15.33 23.80 38.77 124.25 55.95 -116.68 140.56 37.49 61.85 0.66 29.73 6.24 1.23 0.08 0.60 0.00 61.45 0.67 32 L E E 3.70 25.81 20.88 46.94 127.31 -165.05 -124.30 140.04 3.93 96.05 0.01 3.50 0.27 0.02 0.00 0.01 0.00 96.08 0.11 33 A E E 8.71 19.00 27.48 46.12 131.42 -172.30 -129.49 147.89 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 34 W E E 8.87 24.22 23.12 47.12 123.93 -152.60 -114.09 139.22 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 35 Y E E 23.93 17.40 23.62 40.97 131.78 -173.90 -129.67 149.61 0.57 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.01 36 Q E E 39.57 14.57 21.27 36.18 122.12 -146.38 -112.47 136.71 2.83 97.17 0.00 2.37 0.21 0.01 0.00 0.00 0.00 97.32 0.07 37 E E E 56.41 13.76 15.66 30.04 119.11 -151.44 -103.27 134.33 30.89 69.09 0.02 28.00 1.82 0.09 0.00 0.02 0.00 69.10 0.98 38 K C C 98.67 6.16 15.15 22.69 119.79 -140.78 -93.64 143.80 96.13 3.83 0.04 93.58 2.55 0.22 0.01 0.03 0.00 3.00 0.61 39 P C T 105.55 3.47 11.28 16.76 109.27 -86.75 -58.56 134.33 99.55 0.14 0.32 0.47 4.04 95.07 0.01 0.30 0.00 0.09 0.03 40 G C T 68.94 0.32 12.82 10.64 96.08 17.54 83.24 -2.70 99.58 0.11 0.32 0.59 4.04 94.94 0.01 0.34 0.00 0.07 0.02 41 K C S 111.54 4.16 10.89 17.16 129.09 90.65 -117.18 157.54 91.21 8.38 0.41 32.59 56.99 1.79 0.09 0.33 0.00 3.09 5.12 42 A C C 73.46 2.89 16.32 19.78 115.98 -97.17 -69.55 149.13 96.49 3.47 0.03 85.49 11.04 0.20 0.01 0.03 0.00 2.83 0.41 43 P C C 43.26 18.13 10.78 28.11 115.03 -101.43 -65.72 144.71 91.75 8.22 0.04 89.62 2.03 0.14 0.00 0.02 0.00 7.93 0.25 44 K E E 106.10 6.07 21.16 28.18 123.70 -155.81 -117.98 137.68 9.81 90.12 0.07 8.50 1.17 0.11 0.02 0.04 0.00 89.46 0.69 45 L E E 68.02 15.38 16.90 31.91 110.89 -115.75 -76.62 126.94 1.11 98.88 0.01 0.99 0.05 0.00 0.00 0.00 0.00 98.90 0.05 46 L E E 32.32 16.32 20.23 36.64 101.29 176.67 -95.19 -33.86 2.13 97.85 0.02 1.41 0.56 0.03 0.00 0.01 0.00 97.97 0.02 47 I E E 22.71 18.64 20.25 38.77 134.81 6.41 -146.83 141.26 0.94 99.05 0.01 0.73 0.10 0.01 0.00 0.00 0.00 99.12 0.03 48 N E E 47.97 16.94 19.99 35.92 128.08 -174.67 -132.78 138.74 9.02 90.84 0.14 7.55 0.98 0.18 0.04 0.07 0.00 90.96 0.22 49 K E E 82.29 11.25 22.33 33.25 114.69 -153.11 -111.27 115.33 38.39 55.90 5.72 25.78 10.53 4.23 2.60 2.87 0.03 52.61 1.36 50 A C C 32.63 16.27 15.89 31.58 103.13 -139.68 -75.95 -13.08 49.42 13.33 37.24 24.33 13.36 13.81 13.22 22.64 0.18 10.50 1.94 51 S C G 64.96 6.92 18.64 25.91 101.24 62.01 -81.24 -12.48 52.19 5.69 42.12 21.48 13.44 18.66 15.65 25.35 0.14 3.62 1.67 52 S C C 55.47 8.87 17.56 26.86 102.23 52.31 -90.19 1.31 51.33 6.36 42.32 27.13 11.35 13.95 16.92 24.75 0.08 3.79 2.03 53 L C C 50.17 17.03 11.88 27.83 106.12 93.79 -84.79 63.26 59.59 7.32 33.09 36.44 12.18 10.93 20.38 12.99 0.08 4.30 2.71 54 E C C 123.91 4.98 16.12 22.28 106.07 70.55 -82.18 32.50 64.17 8.04 27.79 34.12 13.07 17.63 16.75 10.47 0.11 4.88 2.97 55 S C T 73.96 5.36 15.33 21.78 105.54 55.17 -88.37 46.59 79.41 3.21 17.38 19.73 18.64 41.61 9.00 7.70 0.04 1.80 1.47 56 G C T 48.14 5.48 16.67 23.10 102.99 -61.62 86.17 1.96 93.87 2.42 3.71 26.86 28.27 39.15 0.85 2.64 0.00 1.40 0.81 57 V C C 39.35 16.46 11.69 28.04 117.10 118.58 -96.55 131.96 89.89 9.21 0.90 57.55 30.69 2.10 0.35 0.57 0.00 4.38 4.36 58 P C C 62.42 8.45 17.34 26.81 110.26 -108.36 -66.53 146.68 88.90 6.02 5.07 61.21 14.50 12.81 1.09 4.46 0.00 4.16 1.78 59 S C C 65.77 9.94 16.30 26.58 100.60 -112.35 -72.32 -3.41 84.96 6.30 8.74 45.21 19.12 20.78 1.18 8.11 0.00 4.34 1.26 60 R C C 111.39 9.65 19.50 29.15 101.81 78.40 -92.78 8.76 74.94 17.49 7.57 35.79 26.11 14.05 1.09 6.28 0.01 15.26 1.42 61 F E E 29.96 22.35 13.02 34.48 121.83 109.02 -108.34 136.86 29.38 69.09 1.54 23.49 5.68 1.58 0.54 0.98 0.00 66.14 1.58 62 S E E 56.92 6.16 23.67 31.03 133.40 173.80 -136.17 154.31 10.78 88.97 0.25 9.50 1.14 0.25 0.11 0.11 0.00 88.17 0.72 63 G E E 23.81 18.58 15.00 32.21 139.44 166.45 -156.71 165.90 9.08 90.82 0.11 7.70 1.09 0.21 0.03 0.06 0.00 90.48 0.43 64 S E E 65.27 4.86 21.53 27.98 135.43 -170.60 -145.57 156.56 14.07 85.82 0.11 12.14 1.62 0.28 0.03 0.07 0.00 85.30 0.56 65 G E E 31.42 10.45 15.57 26.85 138.31 128.33 140.98 165.06 31.35 68.48 0.17 22.39 8.70 1.36 0.03 0.18 0.00 66.47 0.87 66 S C C 77.92 3.11 20.40 24.05 116.01 -102.00 -120.58 119.49 61.45 38.12 0.43 44.16 14.19 3.45 0.08 0.47 0.00 35.18 2.48 67 G C S 34.07 9.75 18.91 28.75 108.93 -48.72 66.26 -128.72 98.25 1.16 0.59 2.70 57.51 38.20 0.02 0.58 0.00 0.86 0.14 68 T C S 51.87 14.94 16.49 31.33 97.79 -10.85 -98.20 0.11 98.23 1.29 0.47 2.40 58.57 37.46 0.01 0.43 0.00 1.01 0.12 69 E E E 77.60 8.99 22.57 32.65 122.84 82.91 -111.70 134.00 33.16 66.69 0.16 22.28 10.73 1.18 0.02 0.19 0.00 63.75 1.85 70 F E E 7.35 24.62 16.25 41.36 128.40 -173.57 -126.78 141.65 12.30 87.70 0.00 11.67 0.35 0.02 0.00 0.00 0.00 87.65 0.31 71 T E E 33.81 10.42 27.05 38.58 121.53 -157.57 -116.86 132.26 3.37 96.63 0.00 2.92 0.13 0.00 0.00 0.00 0.00 96.91 0.04 72 L E E 2.98 26.12 18.87 45.93 119.44 -164.25 -112.63 128.27 0.24 99.76 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 73 T E E 37.43 10.20 27.12 38.21 119.88 -163.88 -114.26 129.46 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 74 I E E 7.54 24.01 16.40 41.01 116.33 -164.60 -112.53 123.27 2.57 97.43 0.00 2.68 0.03 0.00 0.00 0.00 0.00 96.98 0.32 75 T C C 61.44 7.03 23.02 30.28 114.53 -169.19 -106.94 152.91 93.67 6.28 0.05 51.45 38.00 3.09 0.00 0.08 0.00 7.17 0.21 76 S C S 65.63 4.52 24.20 28.79 100.85 11.37 63.22 65.73 99.21 0.77 0.02 9.80 85.94 3.52 0.00 0.03 0.00 0.65 0.07 77 L C C 19.19 23.78 10.60 33.85 113.43 -140.94 -77.29 131.59 99.45 0.54 0.01 98.12 1.40 0.03 0.00 0.00 0.00 0.18 0.26 78 Q C C 79.90 4.79 23.62 28.36 130.56 -172.94 -125.16 156.27 99.90 0.09 0.01 99.53 0.38 0.00 0.00 0.00 0.00 0.02 0.06 79 P H G 74.29 11.60 15.30 27.33 91.09 -105.81 -58.64 -32.47 3.82 0.02 96.17 0.15 0.20 2.48 0.20 96.97 0.00 0.01 0.00 80 D H G 102.63 3.30 21.20 25.10 90.03 62.53 -72.88 -13.02 3.25 0.02 96.73 0.09 0.16 2.21 0.14 97.39 0.00 0.02 0.00 81 D H G 14.27 20.61 15.60 36.65 93.37 63.84 -86.96 -2.19 4.31 0.06 95.63 0.62 0.45 1.75 0.23 96.90 0.00 0.05 0.00 82 F C C 58.34 16.16 19.64 35.77 116.61 107.48 -74.89 137.15 92.04 7.79 0.17 88.35 3.81 0.10 0.02 0.15 0.00 7.26 0.31 83 A E E 16.01 15.08 22.85 38.20 145.57 145.57 -167.89 174.36 6.33 93.67 0.01 5.84 0.37 0.01 0.00 0.00 0.00 93.43 0.35 84 T E E 38.37 12.64 25.13 38.22 119.59 -75.76 -102.15 136.15 0.61 99.39 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 85 Y E E 7.01 25.30 19.31 44.87 124.99 -165.74 -117.44 140.25 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 86 Y E E 33.67 15.87 27.24 43.05 130.73 -170.75 -127.20 147.35 0.94 99.06 0.00 0.82 0.05 0.00 0.00 0.00 0.00 99.11 0.02 87 C E E 2.80 25.39 21.37 47.09 124.64 -159.23 -117.10 139.85 3.78 96.20 0.02 3.33 0.25 0.02 0.00 0.02 0.00 96.31 0.07 88 Q E E 31.30 15.23 25.84 40.92 126.60 -168.30 -121.95 140.70 2.32 97.66 0.02 2.04 0.13 0.02 0.00 0.01 0.00 97.73 0.07 89 Q E E 23.93 18.66 19.66 38.24 123.55 -161.32 -116.02 137.51 3.63 96.33 0.04 3.01 0.39 0.07 0.01 0.03 0.00 96.37 0.13 90 Y E E 77.85 11.40 18.21 30.49 119.62 -157.44 -108.82 130.70 15.16 84.72 0.12 12.17 2.47 0.42 0.02 0.10 0.00 84.28 0.54 91 N C C 60.25 9.10 12.78 23.23 128.45 174.44 -127.31 165.15 56.48 43.14 0.38 43.94 9.06 2.27 0.06 0.36 0.00 43.40 0.90 92 S C S 94.67 1.45 13.54 15.36 96.73 -84.08 -66.76 -20.86 97.51 1.59 0.90 10.38 46.43 40.82 0.06 0.87 0.00 1.20 0.24 93 N C S 122.79 1.81 12.85 15.14 104.48 26.42 -104.24 -1.01 97.29 1.77 0.94 10.67 50.11 36.67 0.06 0.90 0.00 1.32 0.27 94 S C E 59.20 4.56 15.81 21.37 131.37 4.17 -132.58 160.54 57.64 42.06 0.29 40.28 14.46 2.19 0.04 0.31 0.00 41.80 0.90 95 W E E 90.86 15.90 12.40 27.95 122.10 -130.81 -107.01 137.98 23.68 76.27 0.05 21.38 1.19 0.15 0.01 0.03 0.00 76.88 0.36 96 T E E 52.29 9.78 21.19 31.67 127.62 -170.52 -125.35 141.12 4.87 95.12 0.01 4.52 0.24 0.02 0.00 0.01 0.00 94.57 0.63 97 F E E 60.55 18.30 16.83 34.30 120.38 -139.26 -102.70 135.26 11.41 88.54 0.04 10.29 0.85 0.10 0.02 0.02 0.00 87.24 1.48 98 G C C 14.50 15.37 17.14 32.64 122.48 -133.04 -80.17 173.57 67.37 32.53 0.10 54.76 9.47 0.97 0.01 0.10 0.00 34.14 0.55 99 Q C C 120.04 4.64 22.78 27.77 102.07 -81.41 -74.93 25.82 77.84 22.04 0.12 62.72 12.18 1.21 0.02 0.13 0.00 23.28 0.48 100 G C C 16.27 18.24 16.62 33.68 127.81 -123.04 71.99 174.19 67.94 32.00 0.06 60.61 4.70 0.40 0.01 0.06 0.00 33.80 0.43 101 T E E 27.90 16.35 19.31 35.85 127.74 -109.10 -120.15 144.73 9.65 90.35 0.01 9.00 0.34 0.01 0.00 0.00 0.00 90.43 0.22 102 K E E 103.99 8.82 23.32 32.63 119.17 -136.80 -98.80 134.47 0.88 99.12 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.17 0.02 103 V E E 11.21 23.08 14.38 37.42 122.67 -167.80 -117.61 133.31 0.63 99.37 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.38 0.01 104 D E E 73.78 5.64 23.56 29.48 118.00 -155.06 -107.25 128.35 1.36 98.64 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.57 0.06 105 M E E 36.01 20.39 11.22 30.56 114.81 -155.44 -98.39 126.58 15.30 84.67 0.03 15.62 0.19 0.03 0.01 0.01 0.00 83.43 0.72 106 K C C 127.51 4.19 19.68 24.71 115.25 -167.98 -104.04 125.33 99.44 0.56 0.00 99.46 0.05 0.01 0.00 0.00 0.00 0.46 0.01