# 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 I C C 102.10 6.58 12.94 21.12 115.64 -159.05 -98.25 125.01 99.01 0.98 0.01 99.18 0.12 0.02 0.00 0.00 0.00 0.61 0.07 1 I C C 98.58 5.73 11.68 19.30 117.66 -162.15 -105.18 129.25 80.21 19.70 0.09 81.54 0.96 0.12 0.04 0.03 0.00 10.55 6.75 2 E C C 124.66 4.53 12.74 19.26 115.29 -134.59 -90.68 129.39 91.93 8.03 0.05 87.76 4.36 0.13 0.02 0.03 0.00 6.90 0.81 3 P C C 52.42 10.74 11.87 23.69 115.84 -112.39 -70.14 153.37 95.06 4.69 0.25 91.65 3.51 0.35 0.11 0.10 0.00 3.33 0.95 4 S C C 47.77 5.07 19.11 24.67 120.34 -116.80 -81.63 160.64 87.93 11.48 0.59 86.66 1.44 0.17 0.46 0.09 0.00 2.46 8.72 5 L H H 50.42 16.35 13.53 29.78 92.34 -109.82 -60.35 -37.62 1.86 0.02 98.13 0.43 0.34 1.03 97.75 0.44 0.00 0.01 0.00 6 R H H 127.02 6.43 17.14 24.72 91.78 54.65 -63.34 -41.21 0.76 0.01 99.23 0.15 0.08 0.46 98.83 0.47 0.00 0.00 0.00 7 Q H H 92.17 2.63 19.40 21.50 91.80 49.14 -65.21 -40.99 0.31 0.01 99.68 0.06 0.04 0.18 99.25 0.45 0.00 0.01 0.00 8 L H H 29.68 11.12 15.45 28.39 92.15 49.30 -64.45 -42.29 0.19 0.01 99.80 0.03 0.02 0.11 99.64 0.19 0.00 0.00 0.00 9 A H H 12.83 15.15 12.38 28.65 91.83 51.66 -63.55 -41.13 0.46 0.01 99.52 0.06 0.03 0.31 99.26 0.32 0.00 0.01 0.00 10 Q H H 118.71 2.53 16.13 19.22 92.31 50.65 -65.74 -39.12 1.39 0.00 98.61 0.09 0.05 1.13 98.14 0.60 0.00 0.00 0.00 11 K H H 143.73 1.75 16.21 17.81 92.25 51.37 -67.71 -33.90 5.50 0.01 94.49 0.13 0.17 5.45 93.72 0.53 0.01 0.00 0.00 12 Y C T 94.28 9.35 12.36 22.90 98.62 38.95 -100.60 3.64 75.02 0.08 24.90 0.70 1.91 70.43 26.00 0.86 0.01 0.02 0.07 13 N C T 113.27 2.84 16.95 20.48 95.90 -117.59 55.46 48.47 97.56 0.06 2.38 4.16 1.82 91.87 1.77 0.33 0.00 0.03 0.03 14 C C C 38.92 15.70 9.83 25.07 102.38 164.00 -86.28 20.65 88.02 1.58 10.40 66.16 5.90 15.58 2.82 7.76 0.00 0.85 0.94 15 D C T 108.71 2.77 19.28 22.54 95.04 117.11 -85.77 -2.98 84.28 1.85 13.87 27.13 25.14 31.84 1.71 12.45 0.00 0.98 0.73 16 K C S 87.71 8.14 19.60 28.54 126.23 73.99 -116.20 148.30 84.14 4.50 11.36 29.35 37.00 17.89 1.17 10.39 0.00 3.40 0.80 17 M C E 39.08 16.55 19.04 35.56 116.19 -117.54 -88.89 128.66 50.09 46.45 3.46 37.52 9.64 3.05 0.62 2.81 0.00 45.13 1.22 18 I E E 26.04 14.56 20.42 35.95 125.68 -167.46 -118.43 139.68 2.66 97.30 0.04 2.42 0.22 0.01 0.06 0.01 0.00 74.99 22.29 19 C E E 10.39 17.44 15.39 34.53 108.53 -114.68 -69.90 126.95 41.46 58.50 0.04 42.89 0.30 0.03 0.01 0.02 0.00 54.23 2.52 20 R C T 115.51 8.87 17.54 27.59 93.25 -150.10 -67.70 -28.44 98.48 0.12 1.40 0.25 1.49 96.92 0.02 1.22 0.00 0.07 0.02 21 K C T 129.56 3.62 17.87 22.37 97.16 47.48 -76.84 -40.68 98.43 0.04 1.53 0.10 1.00 97.63 0.02 1.23 0.00 0.02 0.01 22 C C T 58.49 6.48 15.17 23.19 100.74 21.83 -106.88 -10.61 98.85 0.02 1.12 0.16 1.12 97.75 0.02 0.94 0.00 0.01 0.00 23 Y C T 129.17 7.86 15.68 24.93 93.64 -125.37 66.40 25.73 99.05 0.57 0.38 42.34 5.97 50.85 0.11 0.20 0.00 0.35 0.19 24 A C C 35.13 9.00 16.13 26.93 120.74 146.81 -81.62 151.15 57.06 42.88 0.07 49.11 7.61 0.41 0.02 0.06 0.00 41.07 1.73 25 R E E 130.77 7.09 20.93 28.82 113.86 -107.41 -79.20 136.68 4.06 95.91 0.03 3.39 0.29 0.02 0.05 0.01 0.00 68.09 28.15 26 L C C 19.73 22.22 11.33 32.93 118.41 -132.05 -84.50 143.93 76.88 23.08 0.04 75.33 2.15 0.08 0.01 0.03 0.00 20.61 1.78 27 H C C 78.26 7.07 18.96 27.03 114.78 -101.93 -66.59 148.16 99.67 0.27 0.07 98.81 0.90 0.05 0.03 0.01 0.00 0.11 0.08 28 P H G 86.94 6.10 16.11 23.48 91.73 -107.91 -57.57 -34.55 23.83 0.09 76.08 1.31 1.73 20.16 14.54 62.17 0.00 0.06 0.03 29 R H G 146.63 3.83 18.84 23.39 90.62 59.88 -68.92 -19.51 19.93 0.11 79.95 1.20 1.30 16.92 17.97 62.50 0.00 0.07 0.03 30 A H G 12.29 18.67 13.41 32.29 95.11 61.59 -81.38 -10.77 15.43 0.37 84.20 7.30 2.40 5.61 23.72 60.65 0.00 0.26 0.07 31 V H H 51.16 13.30 16.83 30.30 94.29 83.33 -64.96 -37.17 30.26 2.44 67.30 13.56 5.70 11.88 51.55 14.78 0.15 1.48 0.90 32 N H H 90.20 4.01 21.89 25.61 94.09 50.21 -71.93 -11.86 30.34 2.19 67.47 11.31 4.86 14.49 52.42 14.53 0.17 1.50 0.72 33 C H H 21.68 12.69 14.89 29.17 94.80 88.97 -66.62 -35.56 22.36 2.56 75.08 12.21 4.28 7.51 61.48 12.00 0.08 1.71 0.72 34 R H H 75.63 12.92 15.07 28.19 95.95 58.96 -70.90 -35.13 19.06 6.60 74.35 10.33 3.75 7.14 63.68 8.60 0.19 4.87 1.44 35 K H H 116.97 5.93 14.95 22.14 94.76 56.18 -66.65 -36.76 19.88 5.29 74.84 8.64 4.48 9.13 65.80 6.60 0.35 3.65 1.35 36 K H H 150.01 1.62 15.79 17.24 96.94 43.97 -74.76 -36.56 28.36 2.21 69.42 5.05 5.59 18.88 60.82 6.05 1.42 1.27 0.93 37 K H H 131.11 3.31 15.64 19.81 100.44 30.47 -85.86 -32.70 46.43 1.21 52.37 3.86 7.10 34.65 47.07 5.07 0.93 0.61 0.70 38 C C T 45.89 11.31 12.21 24.23 101.25 24.86 -101.69 -10.32 61.06 1.80 37.14 8.62 16.21 36.43 32.96 3.61 0.30 0.78 1.10 39 G C C 47.03 3.26 17.11 20.86 96.84 -116.73 79.29 5.98 93.57 3.94 2.49 51.75 25.75 16.27 0.75 1.70 0.00 2.18 1.59 40 H C C 68.02 10.02 13.66 25.00 116.37 114.34 -106.56 129.37 88.52 7.22 4.26 68.19 13.01 6.63 1.30 3.19 0.00 3.65 4.04 41 T C C 62.29 12.15 14.06 26.59 99.17 -166.78 -90.72 -10.12 79.85 3.44 16.72 45.39 15.17 17.92 1.97 16.33 0.00 1.91 1.31 42 N C T 108.59 4.35 18.42 23.66 94.39 72.18 -77.25 -11.01 80.40 2.30 17.29 20.18 24.12 35.37 1.38 16.89 0.00 1.36 0.71 43 N C C 84.98 6.75 19.21 26.76 99.39 55.84 -99.14 13.20 81.14 3.34 15.52 37.91 18.28 23.57 1.27 15.96 0.00 2.14 0.86 44 L C C 24.37 21.49 11.93 32.81 114.45 125.66 -85.13 130.35 84.90 12.59 2.51 70.93 11.30 1.91 0.80 1.82 0.00 8.57 4.66 45 R C C 113.83 6.63 21.79 29.38 127.03 156.03 -131.67 139.16 79.28 20.49 0.23 72.82 6.09 0.32 0.10 0.15 0.00 16.93 3.60 46 P C C 53.62 13.89 14.00 28.00 114.15 -106.90 -66.57 148.52 75.01 23.95 1.04 70.96 2.79 1.11 0.43 0.62 0.00 17.07 7.02 47 K C C 120.74 6.99 13.22 21.49 109.03 -125.21 -82.49 124.56 90.76 5.56 3.68 60.41 23.20 7.32 0.55 3.20 0.00 3.78 1.55 48 K C C 140.11 3.32 10.97 16.18 115.19 -105.14 -94.35 135.41 89.42 6.13 4.45 53.06 28.52 8.06 0.69 3.95 0.00 3.97 1.75 49 K C C 151.28 2.78 9.95 14.60 110.00 -134.59 -88.95 118.31 91.97 4.79 3.23 85.76 2.81 3.96 0.70 2.09 0.00 3.09 1.59 50 V C C 96.45 5.41 10.37 17.27 108.01 -127.43 -92.44 84.39 99.77 0.21 0.02 99.66 0.13 0.06 0.01 0.00 0.00 0.12 0.02