# 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 K C C 137.87 3.79 13.15 18.63 114.99 -146.89 -93.86 135.36 99.75 0.23 0.01 99.69 0.12 0.04 0.00 0.00 0.00 0.11 0.03 1 K C C 145.40 3.46 10.50 15.99 112.94 -124.55 -85.11 136.19 89.69 5.35 4.96 73.95 3.33 12.63 2.10 2.23 0.00 3.91 1.85 2 G C C 48.63 4.73 9.95 16.23 114.27 -123.57 -100.02 157.67 88.39 5.57 6.04 49.91 19.42 19.69 2.21 3.51 0.00 3.29 1.97 3 V C C 100.57 4.55 10.31 16.50 112.42 -125.05 -92.00 132.03 78.58 7.97 13.46 47.12 18.78 13.02 6.93 6.46 0.02 4.61 3.06 4 S C C 71.42 5.21 11.22 17.80 112.36 -113.72 -84.75 126.08 73.75 6.68 19.57 41.58 18.66 14.10 10.29 9.02 0.03 3.84 2.48 5 S C C 72.89 4.97 11.54 18.00 106.20 -139.28 -89.81 42.66 68.59 8.33 23.08 43.30 14.43 10.89 12.83 10.39 0.03 5.16 2.97 6 T C C 78.70 6.12 10.88 18.44 107.54 103.61 -90.00 68.92 67.08 9.19 23.73 42.49 13.57 11.01 13.86 10.05 0.04 5.80 3.19 7 K C C 138.47 3.83 12.03 17.35 103.53 94.75 -85.04 11.20 68.16 8.01 23.84 32.30 17.00 20.14 13.61 9.22 0.09 4.70 2.95 8 N C T 102.27 4.84 12.84 18.87 103.13 56.52 -91.23 31.34 80.26 3.81 15.93 26.81 22.31 32.21 8.12 6.85 0.03 2.12 1.56 9 G C C 43.38 6.46 12.53 20.19 103.37 -100.80 79.95 6.80 88.65 3.62 7.73 38.24 26.34 24.88 2.75 4.44 0.00 1.92 1.43 10 R C C 124.46 6.48 12.79 20.73 116.80 127.53 -92.52 139.14 78.50 9.75 11.75 53.36 16.17 8.45 6.55 5.39 0.02 4.94 5.12 11 D C C 85.83 6.76 12.92 20.92 109.83 -129.02 -86.41 117.44 76.92 5.92 17.16 55.06 12.27 9.31 8.73 8.68 0.01 3.50 2.44 12 S C C 65.21 7.26 12.68 21.03 102.11 -161.21 -81.97 0.18 59.54 3.41 37.05 33.16 12.71 14.43 13.09 23.37 0.03 1.91 1.31 13 E C G 124.59 4.53 15.06 20.56 99.88 97.38 -81.08 -8.31 53.58 3.79 42.63 23.70 13.46 18.06 14.14 27.01 0.11 2.08 1.43 14 S C C 51.24 10.30 13.44 24.53 107.12 85.34 -85.76 94.27 56.12 4.56 39.32 31.50 12.72 13.42 11.69 26.49 0.04 2.71 1.44 15 K C C 100.09 10.13 16.57 27.09 111.44 70.53 -94.70 116.65 67.80 11.33 20.86 44.68 15.34 8.59 7.71 12.84 0.02 8.46 2.37 16 R C C 111.19 10.91 19.09 30.08 119.64 103.03 -100.57 135.54 61.59 32.91 5.50 47.69 9.63 3.67 2.82 2.99 0.02 27.33 5.87 17 L C E 45.68 17.43 17.92 34.74 120.96 -143.45 -101.11 140.47 51.73 47.32 0.96 43.43 5.91 1.30 0.39 0.58 0.00 45.64 2.75 18 G E E 16.27 14.11 21.80 35.59 140.31 121.18 -131.78 -171.65 27.43 71.70 0.87 22.21 4.56 1.10 0.35 0.53 0.00 69.38 1.88 19 A E E 26.83 18.94 17.24 35.38 119.47 -81.09 -92.79 141.41 18.04 79.50 2.46 15.33 2.14 0.87 1.54 0.90 0.01 77.61 1.60 20 K E E 111.74 8.39 21.36 30.19 101.90 -161.68 -93.22 -18.79 19.80 76.83 3.37 14.10 4.75 1.91 2.10 1.17 0.01 74.06 1.90 21 R E E 91.65 11.76 17.75 29.69 130.44 24.83 -132.84 142.00 42.51 54.12 3.37 36.75 3.52 1.86 1.88 1.58 0.00 50.71 3.69 22 A C C 43.39 10.81 15.91 27.36 120.69 -145.55 -99.36 154.77 82.71 9.70 7.59 77.60 2.71 2.82 1.60 5.60 0.00 8.55 1.12 23 D C T 102.52 5.68 15.43 22.26 104.95 -55.76 -52.13 112.15 90.87 1.65 7.47 0.88 5.24 85.39 0.78 6.41 0.00 1.09 0.20 24 G C T 52.28 3.62 16.38 20.89 95.12 0.37 84.54 -2.44 92.65 0.81 6.54 1.41 6.41 84.79 0.24 6.41 0.00 0.66 0.08 25 Q C C 83.76 7.43 15.50 24.62 122.23 124.87 -89.04 148.00 86.96 13.00 0.05 78.01 8.18 0.19 0.00 0.06 0.00 13.14 0.42 26 F E E 117.01 7.70 19.98 28.52 115.74 -121.96 -87.60 134.76 6.66 93.34 0.00 6.82 0.15 0.00 0.00 0.00 0.00 91.61 1.42 27 V E E 11.49 22.73 12.65 35.30 125.47 -167.06 -117.75 140.89 1.44 98.56 0.00 1.58 0.01 0.00 0.00 0.00 0.00 96.67 1.73 28 T C C 75.00 4.27 24.26 28.62 124.24 -144.35 -99.39 152.72 57.88 42.11 0.01 58.50 0.46 0.03 0.00 0.01 0.00 40.01 0.99 29 G C T 33.52 13.44 15.74 29.05 109.32 -85.38 -59.20 136.15 99.07 0.77 0.15 0.11 2.15 97.19 0.00 0.09 0.00 0.40 0.05 30 G C T 40.65 6.23 21.12 28.08 96.75 24.15 88.42 -4.88 99.59 0.31 0.10 0.24 2.85 96.59 0.00 0.08 0.00 0.23 0.01 31 S C C 34.27 11.66 19.61 32.13 117.60 126.59 -76.25 145.67 89.10 10.86 0.04 85.38 3.38 0.11 0.01 0.04 0.00 10.52 0.56 32 I E E 50.17 15.81 21.18 36.67 110.60 -118.85 -79.80 123.91 3.67 96.33 0.01 3.70 0.10 0.01 0.00 0.00 0.00 95.15 1.04 33 L E E 9.90 22.75 21.09 43.82 100.85 176.40 -93.59 -33.98 3.30 96.69 0.00 1.87 1.38 0.06 0.00 0.00 0.00 96.66 0.03 34 Y E E 20.26 19.81 23.27 42.73 141.41 1.71 -155.02 149.13 1.63 98.34 0.03 1.22 0.31 0.09 0.01 0.02 0.00 98.27 0.08 35 R E E 85.30 14.41 22.48 36.05 123.37 -157.56 -121.21 131.92 7.16 92.78 0.06 6.08 0.80 0.16 0.01 0.05 0.00 92.65 0.25 36 Q E E 41.49 16.84 16.70 33.42 116.13 -155.03 -102.24 127.23 35.88 63.72 0.40 29.41 4.91 1.16 0.09 0.34 0.00 62.97 1.11 37 R C C 129.26 7.34 17.35 25.81 116.16 -162.83 -99.81 131.30 71.71 27.14 1.15 36.27 20.86 15.61 0.14 1.16 0.00 24.40 1.55 38 G C S 48.26 3.82 17.69 22.00 111.02 16.59 88.85 -93.73 90.97 8.26 0.78 25.35 44.84 20.59 0.06 0.91 0.00 7.54 0.72 39 T C C 63.41 11.34 13.26 25.15 119.45 26.77 -98.06 140.80 87.13 11.82 1.05 60.52 22.30 4.32 0.15 1.09 0.00 10.03 1.59 40 K C C 135.72 4.43 20.17 25.24 107.21 -132.74 -89.74 97.00 77.78 21.50 0.72 56.93 17.94 2.61 0.13 0.75 0.00 18.91 2.73 41 I C C 28.11 21.02 11.86 32.18 119.39 92.73 -105.28 131.65 56.14 43.51 0.35 46.91 7.99 0.69 0.15 0.23 0.00 27.80 16.21 42 Y C C 120.96 5.90 22.23 28.63 117.47 -155.61 -107.38 128.72 86.14 13.79 0.08 81.80 4.28 0.32 0.02 0.06 0.00 11.70 1.81 43 P C C 62.66 14.25 14.28 28.25 112.13 -111.43 -65.08 140.70 89.78 8.58 1.64 37.21 21.12 31.71 0.22 1.64 0.00 6.57 1.52 44 G C T 33.66 7.16 17.78 26.06 132.54 63.03 125.03 -171.45 91.63 6.08 2.30 22.24 33.48 36.12 0.24 2.39 0.00 3.54 1.98 45 E C T 143.11 2.40 19.93 22.36 99.37 -52.30 -72.51 -20.40 94.46 3.48 2.05 3.23 30.30 61.38 0.11 1.93 0.00 2.28 0.76 46 N C T 52.42 14.48 16.90 31.14 97.77 40.34 -95.15 2.96 92.54 6.78 0.69 7.59 24.07 60.65 0.03 0.82 0.00 6.43 0.40 47 V E E 17.67 22.05 13.82 35.44 125.36 84.85 -112.99 139.99 12.97 87.01 0.02 11.08 1.40 0.08 0.00 0.01 0.00 86.92 0.50 48 G E E 22.98 7.77 23.67 32.15 141.87 165.88 -153.48 176.02 0.76 99.24 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.25 0.04 49 R E E 125.34 10.27 16.98 28.09 121.78 -103.41 -108.17 138.53 1.46 98.54 0.00 1.45 0.04 0.00 0.00 0.00 0.00 98.15 0.35 50 G C C 21.33 12.14 11.74 24.65 125.62 -146.35 -90.12 174.27 83.39 16.55 0.06 81.57 1.09 0.17 0.01 0.05 0.00 16.61 0.50 51 G C T 63.52 0.97 15.67 15.75 94.51 -87.39 -62.83 -30.27 93.94 2.13 3.93 1.78 15.54 75.89 0.07 4.81 0.00 1.55 0.36 52 D C T 101.65 3.10 15.83 19.55 95.82 47.56 -90.49 8.62 96.28 0.19 3.53 0.77 11.45 83.07 0.04 4.51 0.00 0.11 0.05 53 D C S 61.49 11.91 15.62 27.99 94.13 -104.97 71.67 21.30 95.02 1.51 3.47 10.56 56.95 26.43 0.10 4.54 0.00 1.15 0.27 54 T C C 22.90 13.26 19.88 34.43 121.92 135.48 -92.12 145.80 53.89 46.09 0.02 52.94 1.05 0.08 0.00 0.02 0.00 45.20 0.72 55 L E E 4.23 24.79 19.27 45.01 115.77 -127.57 -91.18 131.48 0.25 99.75 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.72 0.03 56 F E E 46.62 12.40 26.94 39.89 126.99 -169.48 -121.64 142.49 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.01 57 A E E 5.14 23.91 14.78 39.38 112.59 -117.44 -77.37 133.23 6.92 93.08 0.00 7.16 0.08 0.00 0.00 0.00 0.00 92.46 0.30 58 K C S 105.12 6.11 23.49 30.35 95.52 -160.97 -88.30 -16.73 92.92 7.00 0.09 20.14 67.19 5.19 0.00 0.11 0.00 7.12 0.24 59 I C S 62.80 7.36 21.48 29.77 135.36 33.87 -135.45 158.99 92.84 7.04 0.12 2.48 83.49 7.17 0.00 0.12 0.00 6.40 0.35 60 D C C 82.44 7.14 21.80 29.43 112.86 -94.72 -67.49 139.19 92.98 6.91 0.12 47.96 39.74 4.76 0.00 0.17 0.00 7.10 0.26 61 G E E 10.28 10.84 20.99 33.91 143.23 90.17 165.18 -172.62 18.96 81.03 0.01 16.04 2.94 0.14 0.00 0.01 0.00 80.28 0.59 62 V E E 41.20 10.20 24.62 36.16 123.12 -65.30 -114.91 137.72 0.73 99.27 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.22 0.07 63 V E E 4.48 25.54 16.28 42.73 117.53 -149.31 -102.53 130.09 0.38 99.62 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 64 K E E 69.46 9.17 26.25 35.79 123.11 -168.87 -119.11 135.83 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 65 F E E 26.16 21.87 15.17 36.63 123.49 -160.21 -113.25 137.24 1.03 98.97 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.03 0.04 66 E E E 83.42 6.29 20.93 27.94 126.73 -173.93 -125.84 142.41 1.75 98.25 0.00 1.51 0.09 0.01 0.00 0.00 0.00 98.34 0.05 67 R E E 117.48 9.66 12.25 22.98 114.04 -127.56 -89.94 126.69 9.97 89.98 0.05 8.62 0.86 0.13 0.01 0.04 0.00 90.05 0.29 68 K E E 113.61 4.98 12.19 18.73 107.08 -176.06 -105.82 12.00 46.92 52.63 0.45 33.54 8.79 3.48 0.05 0.47 0.00 53.13 0.53 69 G C T 45.71 1.95 12.86 15.22 129.35 -46.14 138.07 -168.99 70.04 27.83 2.13 13.07 28.64 30.12 0.13 2.19 0.00 24.56 1.28 70 R C T 194.72 0.85 10.97 11.69 100.54 -34.61 -68.00 -19.03 97.10 0.57 2.34 4.87 27.29 64.58 0.10 2.63 0.00 0.37 0.18 71 D C T 123.38 1.60 11.24 13.59 98.68 -0.18 -92.40 15.25 96.55 1.41 2.05 7.20 31.56 57.59 0.09 2.29 0.00 1.01 0.27 72 K E E 101.51 5.82 12.47 20.10 121.89 97.98 -113.97 137.57 47.00 52.66 0.35 35.66 8.43 2.41 0.05 0.36 0.00 52.15 0.95 73 K E E 74.94 12.55 12.77 26.07 125.31 -169.21 -116.54 141.44 20.41 79.56 0.03 18.81 0.79 0.09 0.00 0.02 0.00 80.09 0.19 74 Q E E 67.06 9.38 20.67 30.88 127.23 -162.94 -120.95 144.26 2.87 97.12 0.00 2.50 0.17 0.01 0.00 0.00 0.00 97.25 0.06 75 V E E 19.12 20.76 16.48 37.20 123.74 -158.96 -119.10 134.33 0.89 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 76 S E E 27.82 10.01 24.64 35.50 129.84 -170.01 -123.91 150.36 1.10 98.89 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.97 0.01 77 V E E 20.34 21.74 16.20 37.81 121.25 -151.06 -115.26 131.36 1.83 98.17 0.00 1.61 0.09 0.00 0.00 0.00 0.00 98.24 0.04 78 Y E E 88.21 8.38 21.75 30.79 124.88 -171.24 -123.89 137.21 4.23 95.76 0.01 3.61 0.37 0.03 0.00 0.01 0.00 95.86 0.11 79 A E E 58.41 9.33 16.27 26.29 113.91 -109.43 -70.10 142.13 13.29 86.69 0.03 12.12 0.62 0.07 0.00 0.02 0.00 86.80 0.37 80 V C C 66.14 11.56 10.89 23.02 113.98 -144.74 -98.73 134.50 73.60 26.15 0.25 72.87 0.57 0.29 0.09 0.11 0.00 24.46 1.60 81 A C C 79.97 3.06 14.85 18.95 114.59 -128.27 -89.11 139.64 99.75 0.25 0.01 99.74 0.06 0.02 0.00 0.00 0.00 0.16 0.01