# 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 P C C 93.68 3.78 11.66 17.09 113.92 -110.09 -69.60 147.48 99.97 0.02 0.00 99.88 0.08 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 154.94 2.24 9.20 13.32 114.07 -120.08 -85.97 135.82 91.87 7.40 0.73 91.13 0.72 0.97 0.29 0.27 0.00 3.69 2.94 2 M C C 133.93 3.32 7.96 13.22 115.14 -140.44 -92.81 134.15 86.18 12.91 0.91 75.73 8.02 1.88 0.34 0.56 0.00 9.49 3.97 3 K C C 148.87 2.22 10.90 14.67 117.73 -146.06 -99.81 137.96 80.46 18.50 1.04 71.23 7.30 1.40 0.56 0.51 0.00 13.00 6.00 4 T C C 75.65 8.52 8.87 18.54 119.00 -136.40 -92.23 143.61 82.91 15.06 2.03 72.94 7.97 1.46 1.48 0.70 0.00 9.79 5.66 5 H C C 99.53 6.40 11.81 19.56 111.24 -109.11 -78.24 141.26 90.66 4.98 4.36 82.04 6.85 1.66 3.93 0.78 0.00 2.94 1.82 6 K H H 151.21 2.05 13.42 16.47 93.66 -126.81 -61.78 -33.16 26.64 0.71 72.65 8.77 5.45 12.74 53.82 18.47 0.07 0.38 0.30 7 G H H 38.40 3.54 13.97 18.77 92.67 56.92 -65.15 -34.93 23.45 0.35 76.20 4.50 3.37 14.16 55.06 22.49 0.07 0.19 0.15 8 A H H 23.95 14.15 10.80 25.51 92.87 54.25 -70.67 -29.63 13.34 0.35 86.31 3.90 2.06 6.59 59.75 27.36 0.03 0.21 0.11 9 K H H 108.12 8.94 14.04 23.94 91.53 66.29 -62.91 -33.40 14.15 0.49 85.37 3.61 2.05 7.57 56.70 29.58 0.05 0.28 0.16 10 K H H 151.11 1.49 18.39 19.10 92.81 56.25 -75.22 -17.35 34.88 0.66 64.46 4.04 3.71 24.62 38.23 28.63 0.09 0.41 0.27 11 R C T 100.87 9.42 15.45 25.64 98.06 52.60 -93.98 -10.21 54.65 2.28 43.07 8.50 9.18 36.09 22.51 21.18 0.13 1.58 0.82 12 V E E 31.96 18.37 10.65 28.51 123.36 74.15 -106.29 138.57 24.89 74.58 0.53 20.84 4.19 0.58 0.30 0.29 0.00 71.40 2.40 13 K E E 110.68 4.00 19.55 24.53 127.44 -171.79 -125.90 147.48 6.11 93.82 0.07 5.81 0.28 0.04 0.04 0.02 0.00 93.56 0.26 14 I E E 90.10 9.38 11.95 22.53 116.21 -127.92 -94.75 129.79 3.29 96.68 0.03 3.24 0.11 0.01 0.04 0.01 0.00 87.90 8.69 15 T C C 48.72 6.88 9.56 18.57 124.02 -138.45 -84.18 171.64 94.52 5.45 0.04 95.01 0.27 0.05 0.01 0.01 0.00 4.14 0.52 16 A C T 105.77 0.44 10.31 10.09 89.81 -94.60 -62.46 -24.38 99.09 0.41 0.50 0.53 4.40 94.24 0.03 0.46 0.00 0.30 0.05 17 S C T 89.90 0.86 11.49 11.81 92.77 56.45 -86.48 -3.57 99.42 0.06 0.51 0.30 3.91 95.22 0.02 0.51 0.00 0.03 0.01 18 G C S 40.19 5.46 11.41 18.73 97.01 -104.24 88.03 5.85 99.51 0.20 0.29 11.15 87.16 1.31 0.02 0.19 0.00 0.09 0.08 19 K C C 97.45 4.88 14.68 21.19 118.80 132.65 -85.41 145.44 94.80 5.17 0.03 92.18 3.18 0.09 0.01 0.02 0.00 3.46 1.07 20 V E E 43.85 13.70 12.54 27.34 116.96 -129.39 -97.50 130.73 0.86 99.14 0.00 0.90 0.02 0.00 0.00 0.00 0.00 97.22 1.85 21 V E E 51.93 8.87 18.62 28.86 124.35 -167.94 -116.00 142.56 2.94 97.05 0.01 2.95 0.09 0.01 0.01 0.00 0.00 96.87 0.08 22 A E E 39.34 13.98 15.05 29.28 124.86 -157.62 -113.77 140.46 19.26 80.61 0.14 17.85 0.94 0.07 0.08 0.05 0.00 80.25 0.76 23 M C C 71.78 10.21 14.23 25.58 122.37 -154.37 -109.11 146.03 63.63 36.05 0.32 60.68 2.29 0.25 0.14 0.16 0.00 34.94 1.53 24 K C C 110.63 5.80 13.99 21.06 114.70 -109.03 -74.02 146.16 91.83 6.60 1.56 86.22 4.35 1.40 0.58 0.87 0.00 4.90 1.69 25 T C T 93.34 4.66 11.28 17.64 110.83 -97.05 -63.87 140.15 84.83 1.08 14.09 10.43 14.09 59.94 5.03 9.19 0.02 0.58 0.72 26 G C T 60.40 1.43 13.19 14.68 96.67 20.98 80.75 -0.70 83.31 0.69 16.00 12.99 12.63 57.33 6.28 9.88 0.02 0.33 0.55 27 K C C 108.19 5.99 9.36 17.01 102.65 113.89 -85.17 -1.04 68.99 1.37 29.64 42.43 15.44 10.73 14.56 15.34 0.01 0.54 0.95 28 R C C 159.71 3.21 11.23 15.89 100.63 85.60 -76.48 -16.76 55.89 1.54 42.57 26.72 12.08 16.95 19.07 23.56 0.03 0.72 0.87 29 H C G 120.88 4.14 10.96 16.56 96.72 61.69 -74.11 -18.39 49.62 1.35 49.03 14.32 10.64 24.35 20.69 28.43 0.15 0.66 0.78 30 L C G 101.17 4.24 11.70 17.38 97.56 62.12 -76.36 1.83 52.16 1.77 46.07 19.48 10.85 21.73 19.37 26.57 0.13 0.86 1.02 31 N C C 70.79 8.53 9.41 19.21 97.71 92.19 -85.09 2.92 64.07 1.97 33.96 43.77 8.36 11.48 13.62 20.56 0.01 0.89 1.31 32 W C T 178.69 3.04 11.22 16.05 93.27 99.24 -67.74 -23.30 75.57 0.73 23.70 10.57 11.92 52.33 10.12 14.11 0.02 0.35 0.59 33 Q C T 153.07 0.64 12.89 12.33 95.62 52.76 -90.91 0.90 80.38 0.49 19.13 11.68 13.31 55.17 6.32 12.91 0.01 0.25 0.35 34 K C S 77.18 9.46 6.51 16.80 119.80 102.93 -84.67 147.50 97.95 0.71 1.34 46.78 50.40 0.72 0.95 0.26 0.00 0.14 0.75 35 S C C 64.33 1.74 13.05 14.88 118.35 -107.67 -71.30 159.20 99.04 0.37 0.58 97.98 1.00 0.16 0.44 0.04 0.00 0.08 0.29 36 G H H 54.04 2.25 10.26 14.02 92.43 -104.70 -58.32 -38.72 3.98 0.01 96.01 0.80 0.74 2.16 95.40 0.89 0.00 0.00 0.00 37 K H H 147.12 0.88 12.93 12.92 92.11 52.57 -65.40 -38.78 2.28 0.01 97.71 0.34 0.26 1.51 96.96 0.92 0.00 0.01 0.00 38 E H H 87.77 4.06 11.61 17.30 92.70 49.07 -66.41 -40.08 1.26 0.02 98.72 0.31 0.14 0.73 97.79 1.02 0.00 0.01 0.00 39 I H H 69.77 6.73 10.63 19.17 92.28 51.09 -64.23 -41.39 1.33 0.02 98.65 0.33 0.14 0.74 97.99 0.79 0.00 0.01 0.00 40 R H H 154.62 1.55 13.71 15.33 92.41 50.44 -65.63 -37.39 5.61 0.02 94.37 0.54 0.36 4.33 93.22 1.52 0.01 0.01 0.01 41 Q H H 124.48 1.74 13.42 15.40 93.91 50.82 -72.99 -27.72 16.69 0.04 83.27 1.02 0.95 14.28 81.99 1.70 0.02 0.01 0.02 42 K H H 103.94 7.15 10.79 19.19 96.31 59.50 -78.31 -13.38 43.77 0.44 55.79 6.54 5.57 31.06 54.16 2.19 0.05 0.17 0.27 43 G C T 47.11 5.04 12.68 19.01 101.71 88.78 -70.82 1.00 78.97 2.59 18.44 27.05 12.20 39.71 15.99 2.75 0.02 1.32 0.96 44 R C C 145.16 3.21 13.52 18.07 117.94 110.43 -94.73 146.54 88.28 7.99 3.73 54.98 23.50 9.89 2.14 1.66 0.00 6.63 1.20 45 K C C 135.63 5.41 12.29 19.78 116.84 -123.21 -88.83 137.39 77.48 21.40 1.12 68.21 6.30 1.80 0.41 0.62 0.00 21.68 0.99 46 F E E 93.18 8.82 12.79 23.12 128.08 -175.11 -126.90 145.77 25.40 74.25 0.35 22.90 1.91 0.32 0.18 0.18 0.00 71.04 3.45 47 V E E 94.30 5.15 16.33 22.83 117.36 -133.63 -99.31 131.89 17.35 82.55 0.10 16.05 1.04 0.10 0.07 0.05 0.00 78.35 4.34 48 L C C 38.27 16.58 9.04 25.22 118.89 -147.48 -97.33 140.65 56.25 43.66 0.09 53.94 2.27 0.10 0.04 0.05 0.00 41.37 2.22 49 A C C 56.70 3.15 16.55 20.07 120.38 -121.14 -77.64 161.47 95.24 4.66 0.10 94.14 1.41 0.06 0.05 0.02 0.00 4.04 0.27 50 K H H 147.04 2.58 13.52 17.63 91.81 -97.98 -57.46 -39.91 11.74 0.05 88.21 1.21 1.31 7.98 73.43 16.01 0.01 0.03 0.02 51 P H H 92.52 1.30 15.62 15.78 91.91 52.20 -64.94 -37.09 11.26 0.04 88.69 1.01 0.87 8.32 72.00 17.75 0.01 0.03 0.02 52 E H H 64.05 9.05 13.55 24.03 92.66 48.84 -68.92 -34.87 6.54 0.06 93.40 1.60 0.68 3.76 75.43 18.47 0.00 0.04 0.01 53 A H H 25.36 12.79 11.82 25.70 91.83 58.35 -62.49 -41.49 1.29 0.00 98.71 0.39 0.12 0.63 97.51 1.35 0.00 0.00 0.00 54 E H H 117.74 1.74 18.18 18.98 91.82 51.20 -64.78 -40.33 0.56 0.00 99.44 0.07 0.03 0.37 98.44 1.08 0.00 0.00 0.00 55 R H H 129.21 2.49 17.21 19.60 92.02 49.71 -65.69 -40.60 0.44 0.00 99.56 0.04 0.02 0.33 98.36 1.25 0.00 0.00 0.00 56 I H H 38.39 13.79 12.56 27.05 92.52 49.49 -65.84 -40.55 0.56 0.00 99.44 0.04 0.02 0.42 98.18 1.34 0.00 0.00 0.00 57 K H H 107.07 7.64 14.47 23.28 91.50 54.98 -62.95 -36.96 3.64 0.00 96.36 0.13 0.10 3.33 88.43 8.01 0.00 0.00 0.00 58 L H H 125.39 1.26 15.96 16.38 91.81 55.67 -68.94 -25.13 26.20 0.01 73.79 0.24 0.38 27.44 64.47 7.45 0.01 0.00 0.01 59 L H H 96.32 5.04 13.09 19.33 96.11 49.93 -91.65 -9.15 41.49 0.04 58.48 0.89 1.70 39.25 50.41 7.68 0.02 0.01 0.03 60 L C S 53.79 12.60 7.36 20.15 115.78 101.93 -80.20 137.70 96.07 0.92 3.02 42.36 51.20 2.57 1.40 1.29 0.00 0.27 0.89 61 P C T 96.29 2.79 12.03 15.98 99.98 -127.94 -68.03 -10.18 92.74 0.95 6.31 32.62 18.72 41.45 1.03 5.25 0.00 0.48 0.45 62 Y C C 155.50 3.64 8.61 13.98 111.19 61.60 -97.49 105.20 91.40 1.76 6.84 52.79 4.41 34.87 1.47 4.62 0.00 1.05 0.77 63 E C C 138.07 3.27 11.65 16.66 110.88 -153.37 -89.40 118.61 99.85 0.10 0.06 99.71 0.11 0.09 0.02 0.01 0.00 0.04 0.02