# 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 122.10 3.06 13.20 17.11 101.28 62.24 -72.15 -19.06 98.44 0.11 1.45 98.03 0.21 0.37 1.26 0.06 0.00 0.05 0.03 1 E H H 120.30 2.68 10.92 14.75 95.19 57.70 -68.12 -37.17 41.09 1.45 57.47 34.95 1.70 5.77 49.68 6.56 0.00 0.85 0.49 2 L H H 93.53 4.12 9.99 15.79 93.96 54.65 -68.45 -36.88 27.32 1.85 70.83 17.78 3.82 6.70 55.89 14.04 0.02 1.31 0.43 3 A H H 63.81 2.94 11.61 15.91 93.21 55.17 -66.04 -36.89 21.02 2.25 76.73 11.07 3.30 6.78 58.66 17.97 0.04 1.76 0.43 4 N H H 95.30 2.58 12.43 15.92 94.04 53.48 -69.45 -32.51 23.17 2.00 74.83 11.43 3.81 8.18 57.77 16.82 0.05 1.49 0.45 5 F H H 102.27 6.39 11.72 19.64 94.89 57.06 -71.25 -30.24 25.23 3.00 71.77 14.13 4.58 7.86 57.40 13.06 0.07 2.19 0.70 6 R H H 125.65 6.54 13.71 21.48 94.33 62.22 -69.43 -28.95 29.77 4.46 65.77 15.73 4.81 9.93 54.09 10.92 0.09 3.58 0.85 7 T H H 83.29 4.40 16.13 21.28 95.08 59.14 -75.67 -20.75 37.47 6.65 55.87 17.70 5.96 13.91 45.25 10.36 0.15 5.52 1.15 8 L C H 75.75 8.89 15.84 25.63 98.05 65.77 -79.91 -15.47 43.16 13.82 43.02 24.84 8.21 10.51 35.75 6.92 0.16 11.68 1.91 9 V C C 48.04 13.89 16.05 30.14 100.68 71.29 -91.40 -0.43 46.70 25.33 27.97 31.15 6.74 7.47 24.20 4.98 0.08 22.58 2.80 10 Y E E 100.84 9.20 20.28 30.09 120.75 100.79 -102.43 138.10 32.87 53.60 13.53 23.81 5.63 3.32 12.40 2.72 0.15 28.53 23.45 11 C C C 15.06 18.85 12.63 31.90 112.19 -121.44 -78.61 130.49 71.23 23.58 5.20 62.56 5.12 2.27 4.69 1.26 0.01 17.33 6.77 12 S C T 64.06 5.21 19.95 25.99 93.40 -143.10 -68.25 -25.97 80.76 5.61 13.63 8.96 18.76 53.21 7.91 5.39 0.22 3.69 1.86 13 L C T 65.44 10.63 16.43 27.64 96.34 49.14 -75.32 -36.00 85.33 1.79 12.87 2.78 13.60 69.54 5.86 6.13 0.05 1.04 1.01 14 C C T 37.68 12.38 13.39 26.52 101.58 29.47 -99.61 -9.88 82.20 5.75 12.05 7.92 15.22 59.31 5.62 5.98 0.11 3.60 2.24 15 S C C 77.03 4.72 16.08 21.82 97.58 -133.42 56.26 8.84 78.22 9.47 12.32 37.82 22.71 18.78 5.47 6.34 0.05 5.27 3.56 16 K C T 123.44 3.78 15.96 20.90 120.39 94.59 -101.03 149.31 73.92 8.47 17.60 20.33 27.06 28.44 6.88 9.19 0.16 5.08 2.88 17 N C C 86.30 6.81 16.27 24.10 111.28 -94.83 -81.94 125.65 73.27 10.36 16.38 36.34 16.01 22.16 6.49 8.98 0.08 5.66 4.28 18 W C C 55.83 18.89 10.65 28.49 104.48 -146.33 -91.76 32.94 66.01 9.11 24.88 42.87 10.19 13.01 9.60 15.10 0.05 5.44 3.75 19 K C T 129.21 4.70 18.12 23.84 109.19 90.60 -77.59 134.64 69.76 5.30 24.94 16.71 16.94 37.20 9.83 14.09 0.10 3.51 1.62 20 N C T 109.51 4.36 18.61 23.69 96.41 10.99 53.21 27.04 68.22 9.51 22.27 18.07 17.21 34.99 7.53 13.13 0.07 7.61 1.38 21 M C E 43.95 15.67 14.30 30.08 115.19 132.29 -100.11 137.59 45.90 45.19 8.90 35.37 7.90 3.59 5.12 3.78 0.01 42.46 1.77 22 A E E 37.70 10.88 20.37 31.73 121.43 -157.89 -109.13 136.53 11.55 83.79 4.66 9.38 1.51 0.90 4.25 1.25 0.01 75.12 7.58 23 I E E 31.59 18.06 14.26 32.25 110.29 -138.21 -92.67 114.01 18.78 75.88 5.34 16.18 1.76 1.07 4.62 1.45 0.01 70.76 4.16 24 K C T 127.62 5.26 17.46 24.06 96.87 -172.03 -74.79 -31.97 66.50 17.07 16.43 16.74 7.36 43.37 4.97 10.29 0.06 15.92 1.30 25 T C T 87.79 4.39 17.05 22.19 98.09 47.77 -76.50 -34.32 83.84 4.32 11.84 4.44 6.97 72.84 2.88 8.36 0.02 3.73 0.76 26 C C T 45.95 11.40 15.06 27.19 99.65 25.58 -100.62 -8.43 89.79 1.01 9.19 2.88 6.05 81.06 1.72 7.24 0.00 0.76 0.29 27 G C C 33.14 7.24 19.41 27.73 96.62 -113.37 82.70 7.35 91.72 7.14 1.13 39.34 23.00 29.92 0.17 1.04 0.00 5.66 0.87 28 H C C 38.98 15.82 17.80 34.04 118.43 140.55 -80.35 143.94 68.51 31.36 0.13 63.76 3.28 0.38 0.03 0.09 0.00 31.40 1.06 29 V E E 33.45 14.91 23.25 38.34 120.47 -151.38 -111.54 132.96 8.99 90.96 0.05 8.05 0.72 0.05 0.03 0.02 0.00 87.82 3.31 30 F E E 13.26 20.19 20.43 40.59 137.20 173.29 -137.91 159.01 8.88 91.07 0.04 8.51 0.52 0.03 0.03 0.02 0.00 85.37 5.52 31 C C C 15.82 14.19 20.03 35.36 118.03 -104.52 -72.33 153.93 73.32 26.56 0.12 73.56 0.97 0.05 0.07 0.03 0.00 24.27 1.06 32 E H H 94.69 9.87 18.75 29.22 91.86 -109.85 -58.06 -39.32 5.53 0.04 94.43 0.60 0.67 4.29 92.47 1.93 0.01 0.02 0.01 33 N H H 98.25 1.98 23.36 23.79 91.64 52.34 -65.12 -38.95 3.96 0.02 96.03 0.34 0.31 3.35 93.47 2.50 0.01 0.01 0.00 34 C H H 19.36 12.81 17.80 31.91 92.53 48.99 -66.06 -40.87 2.97 0.03 97.00 0.62 0.30 1.96 93.96 3.12 0.00 0.02 0.01 35 C H H 10.31 20.64 14.52 35.07 91.76 51.62 -63.63 -42.92 1.15 0.02 98.83 0.43 0.13 0.52 98.48 0.41 0.00 0.01 0.00 36 K H H 117.12 4.00 20.50 25.09 91.41 50.71 -63.14 -41.85 0.58 0.02 99.40 0.14 0.06 0.32 99.30 0.16 0.00 0.01 0.00 37 E H H 106.44 2.25 20.84 21.96 91.99 48.51 -65.27 -41.36 0.55 0.01 99.44 0.10 0.05 0.34 99.34 0.16 0.00 0.01 0.00 38 R H H 58.66 12.11 15.64 28.67 92.31 48.57 -65.92 -40.68 0.95 0.01 99.03 0.17 0.07 0.62 98.91 0.23 0.00 0.00 0.00 39 L H H 44.45 13.83 13.04 27.30 92.50 50.26 -65.40 -39.00 3.19 0.03 96.78 0.51 0.24 2.24 96.54 0.43 0.00 0.01 0.01 40 A H H 79.63 1.85 15.77 17.63 92.05 53.04 -67.95 -29.48 12.92 0.06 87.02 1.05 0.96 10.49 86.74 0.68 0.02 0.02 0.04 41 A H H 71.38 2.56 14.03 17.13 96.37 53.24 -83.05 -13.51 48.37 0.24 51.39 4.13 5.09 37.60 51.38 1.52 0.03 0.08 0.16 42 R C T 146.36 5.78 13.47 20.73 98.83 -114.90 51.03 25.63 68.17 1.12 30.71 16.65 9.68 41.38 27.93 3.25 0.03 0.47 0.59 43 M C C 96.06 7.15 13.95 22.43 106.28 127.74 -85.69 81.81 81.52 4.90 13.58 56.00 10.76 13.98 9.79 4.48 0.00 2.84 2.15 44 R C C 103.99 10.49 14.84 25.87 115.16 129.72 -102.90 127.09 83.16 10.71 6.13 58.83 16.20 7.77 3.29 3.02 0.00 8.96 1.92 45 K E B 112.78 4.79 19.79 25.47 125.78 -121.99 -113.88 146.17 19.75 79.71 0.54 14.65 1.87 0.23 0.39 0.09 0.00 10.06 72.71 46 C C C 13.25 19.11 10.36 29.85 110.87 -109.87 -69.79 132.56 96.44 3.49 0.08 96.05 0.89 0.17 0.02 0.03 0.00 1.85 0.98 47 P C T 75.29 6.01 16.61 24.15 92.66 -139.24 -66.03 -24.15 99.54 0.14 0.31 1.46 8.39 89.70 0.02 0.28 0.00 0.10 0.03 48 T C T 80.22 5.20 15.25 21.54 101.00 41.68 -88.05 -38.22 99.42 0.20 0.38 0.56 7.24 91.72 0.02 0.30 0.00 0.11 0.05 49 C C T 64.16 5.38 12.80 19.81 104.66 19.89 -108.18 -10.26 98.90 0.53 0.56 4.45 18.56 75.84 0.06 0.54 0.00 0.29 0.27 50 N C C 118.95 3.33 13.75 18.79 94.75 -127.43 68.10 18.40 99.16 0.69 0.15 76.45 18.17 4.52 0.04 0.12 0.00 0.35 0.34 51 K C C 107.95 4.08 14.94 20.68 120.25 136.99 -84.77 147.04 93.74 6.13 0.13 75.79 17.98 0.45 0.04 0.09 0.00 3.81 1.84 52 A E B 67.48 5.35 17.50 23.84 115.11 -104.14 -69.42 145.57 12.21 87.68 0.11 9.64 0.56 0.04 0.09 0.02 0.00 11.50 78.15 53 F C C 29.31 21.15 9.43 29.38 119.71 -131.49 -95.99 142.92 94.89 5.00 0.11 91.98 3.05 0.25 0.03 0.07 0.00 3.57 1.07 54 S C C 49.76 4.07 19.82 23.93 131.75 -162.70 -119.14 171.13 96.11 2.97 0.92 86.14 8.17 1.42 0.24 0.73 0.00 1.16 2.13 55 S C T 79.24 6.03 13.23 20.55 92.72 -91.19 -64.53 -25.05 69.58 1.00 29.42 6.04 10.18 51.21 1.93 29.60 0.00 0.56 0.48 56 N C T 125.53 1.47 15.26 16.51 96.26 55.74 -86.41 2.10 69.23 0.99 29.78 6.39 8.95 51.21 1.96 30.48 0.00 0.62 0.38 57 D C C 60.37 11.27 11.12 23.01 102.43 96.39 -82.26 22.65 67.65 4.61 27.75 43.24 14.79 8.56 2.63 26.77 0.00 2.94 1.08 58 L C C 89.80 8.44 12.36 22.16 117.69 100.90 -96.01 132.60 65.64 29.24 5.12 54.50 7.71 2.68 2.28 3.02 0.03 22.01 7.77 59 L C C 79.02 8.92 11.78 22.18 121.41 -163.87 -109.46 136.83 50.58 47.00 2.41 46.11 3.18 1.17 1.15 1.21 0.00 44.53 2.65 60 T E E 96.25 3.37 13.12 18.29 116.76 -136.28 -99.39 130.80 41.84 56.10 2.06 38.54 2.13 0.90 1.03 0.94 0.00 53.97 2.48 61 V C C 77.78 8.80 8.32 18.39 117.38 -160.71 -106.93 127.86 58.50 38.99 2.51 50.83 4.57 2.05 1.02 1.25 0.00 38.62 1.65 62 H C C 144.31 2.00 10.41 13.98 116.59 -157.68 -105.11 126.20 67.09 31.68 1.23 63.58 1.53 1.43 0.54 0.52 0.00 29.79 2.61 63 L C C 106.87 5.96 10.54 18.04 111.73 -155.71 -94.69 122.18 99.12 0.86 0.02 99.12 0.11 0.03 0.01 0.00 0.00 0.71 0.03