# 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 V C C 75.42 8.11 13.23 22.70 119.78 -161.37 -106.77 132.01 99.30 0.69 0.01 99.41 0.09 0.02 0.00 0.00 0.00 0.46 0.03 1 I E E 91.41 6.18 12.42 20.21 119.05 -161.95 -108.29 130.29 47.46 52.37 0.17 45.98 0.93 0.18 0.09 0.07 0.00 48.43 4.32 2 V E E 86.95 4.90 9.97 16.86 122.35 -165.38 -115.11 141.54 20.22 79.49 0.30 17.19 1.30 0.18 0.27 0.12 0.00 61.38 19.57 3 T C C 65.86 4.73 9.11 15.79 122.32 -145.46 -95.01 165.12 72.65 27.11 0.24 70.21 1.94 0.35 0.09 0.13 0.00 23.73 3.54 4 R C T 201.08 0.73 9.87 10.76 92.19 -96.88 -64.44 -23.01 96.68 2.13 1.19 2.17 8.82 85.86 0.12 1.02 0.00 1.70 0.30 5 S C T 90.67 0.93 9.65 10.62 94.91 55.85 -86.94 -2.71 98.71 0.28 1.01 1.41 8.10 89.23 0.07 0.93 0.00 0.17 0.07 6 G C S 49.29 2.73 10.49 14.81 99.46 -101.74 88.37 4.41 96.42 2.20 1.38 19.27 71.19 6.01 0.12 1.35 0.00 1.38 0.68 7 A C C 59.82 3.73 10.16 15.91 118.71 135.62 -79.33 148.73 85.94 13.80 0.26 69.83 14.89 1.17 0.07 0.23 0.00 11.21 2.61 8 I E B 108.76 4.76 10.15 16.96 116.00 -127.92 -99.03 130.74 11.59 88.22 0.20 8.69 1.35 0.09 0.19 0.05 0.00 38.27 51.37 9 L C C 88.25 6.25 9.67 17.81 119.84 -147.84 -98.46 141.49 69.79 30.12 0.09 62.40 6.25 0.36 0.02 0.09 0.00 29.26 1.62 10 P C C 95.54 2.68 12.48 16.47 114.78 -102.33 -66.92 151.48 91.08 8.83 0.08 64.90 25.57 0.76 0.02 0.08 0.00 7.96 0.71 11 K C C 157.36 2.14 11.21 15.08 113.63 -97.41 -72.56 138.59 98.63 1.32 0.05 90.65 7.90 0.21 0.01 0.03 0.00 0.80 0.40 12 P C C 73.95 8.47 7.37 16.96 114.88 -107.82 -66.65 149.67 98.22 1.53 0.24 92.97 4.46 0.90 0.05 0.18 0.00 0.99 0.46 13 V C C 114.45 1.79 11.37 14.27 114.57 -115.96 -84.31 135.70 88.20 11.37 0.44 82.67 4.32 0.90 0.15 0.28 0.00 7.27 4.41 14 K C C 153.85 2.65 9.24 14.08 114.60 -129.87 -88.89 129.99 86.81 12.54 0.65 78.33 7.28 0.89 0.27 0.38 0.00 8.90 3.95 15 M C C 104.01 4.29 8.06 14.34 121.46 -167.53 -110.62 143.87 93.97 4.67 1.35 84.83 7.61 1.55 0.58 0.72 0.00 2.93 1.79 16 S C T 97.17 0.82 10.29 11.15 98.99 -114.34 -68.60 -19.98 94.02 1.60 4.38 24.41 28.56 41.61 1.74 2.20 0.00 0.95 0.52 17 F C T 152.88 1.78 9.12 11.93 101.59 54.51 -90.58 13.51 91.65 1.05 7.31 28.62 22.45 41.13 4.15 2.56 0.00 0.44 0.65 18 G C H 35.38 4.07 9.40 15.25 107.92 123.19 -57.00 -71.55 53.60 1.34 45.06 28.51 19.48 6.43 42.62 1.75 0.03 0.37 0.82 19 L H H 117.28 1.66 11.23 13.37 94.10 29.85 -65.30 -37.53 3.71 0.03 96.27 0.97 0.65 1.98 95.85 0.52 0.01 0.01 0.01 20 L H H 108.90 1.35 12.34 13.61 92.42 52.86 -64.86 -40.23 0.72 0.00 99.27 0.16 0.07 0.39 99.05 0.32 0.00 0.00 0.00 21 R H H 124.91 2.80 12.26 16.21 92.37 51.00 -65.67 -39.73 0.28 0.00 99.72 0.06 0.02 0.15 99.47 0.29 0.00 0.00 0.00 22 V H H 78.20 3.22 12.44 17.02 92.19 50.25 -65.18 -41.49 0.18 0.00 99.82 0.02 0.01 0.11 99.69 0.17 0.00 0.00 0.00 23 F H H 126.66 1.77 14.23 15.90 92.21 49.73 -65.50 -40.47 0.23 0.00 99.77 0.02 0.01 0.16 99.60 0.21 0.00 0.00 0.00 24 S H H 63.55 2.09 14.02 16.41 92.35 50.43 -66.10 -39.79 1.40 0.00 98.60 0.03 0.03 1.43 97.95 0.57 0.00 0.00 0.00 25 I H H 93.51 2.99 13.78 17.63 94.09 48.15 -68.03 -39.38 9.93 0.00 90.07 0.07 0.16 11.00 87.98 0.78 0.01 0.00 0.00 26 V H H 80.53 2.85 14.33 17.84 93.25 49.35 -66.69 -40.15 7.54 0.01 92.45 0.13 0.36 7.26 91.85 0.39 0.01 0.00 0.00 27 I H H 93.20 2.13 14.89 17.08 92.30 50.80 -64.67 -42.16 2.28 0.01 97.71 0.69 0.34 1.07 97.23 0.67 0.00 0.00 0.00 28 P H H 71.38 2.67 14.67 18.00 91.79 50.32 -64.23 -40.62 0.84 0.00 99.16 0.25 0.05 0.45 98.54 0.69 0.00 0.00 0.00 29 F H H 119.02 2.64 14.59 17.91 92.15 49.86 -65.03 -40.49 0.26 0.00 99.74 0.05 0.02 0.15 99.02 0.75 0.00 0.00 0.00 30 L H H 100.00 2.22 15.39 17.64 92.16 49.65 -65.27 -40.89 0.27 0.01 99.72 0.04 0.02 0.17 99.49 0.27 0.00 0.01 0.00 31 Y H H 136.55 1.93 15.93 17.52 92.37 48.84 -65.62 -41.32 0.54 0.03 99.42 0.08 0.05 0.39 99.33 0.12 0.00 0.02 0.01 32 V H H 80.60 2.66 15.83 18.78 92.22 49.36 -64.70 -41.96 0.32 0.00 99.67 0.06 0.03 0.19 99.67 0.04 0.00 0.00 0.00 33 G H H 34.26 3.61 15.15 19.85 91.94 50.62 -63.37 -41.60 0.36 0.00 99.64 0.07 0.02 0.21 99.65 0.05 0.00 0.00 0.00 34 T H H 70.57 2.89 16.27 19.35 92.14 50.08 -65.13 -40.97 0.33 0.00 99.67 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 35 L H H 89.88 2.48 16.82 19.20 92.30 50.29 -64.93 -41.49 0.46 0.00 99.54 0.05 0.03 0.32 99.53 0.07 0.00 0.00 0.00 36 I H H 88.53 2.81 16.29 19.43 92.17 49.43 -64.45 -41.76 0.85 0.01 99.14 0.16 0.08 0.57 99.07 0.12 0.00 0.00 0.00 37 S H H 55.96 3.61 15.20 19.75 91.90 51.13 -63.98 -40.79 1.59 0.01 98.40 0.36 0.15 1.01 98.24 0.23 0.00 0.01 0.01 38 K H H 123.40 2.38 16.23 18.74 92.25 50.34 -65.14 -40.35 1.21 0.01 98.78 0.17 0.10 0.88 98.64 0.20 0.00 0.00 0.00 39 N H H 93.74 2.19 16.68 18.65 92.44 49.51 -65.45 -40.87 1.21 0.01 98.78 0.16 0.11 0.89 98.54 0.29 0.00 0.00 0.00 40 F H H 112.22 2.54 16.10 18.82 92.35 49.81 -64.90 -41.33 1.12 0.00 98.88 0.14 0.08 0.80 98.63 0.34 0.00 0.00 0.00 41 A H H 48.40 3.68 14.15 19.30 91.79 51.06 -63.53 -40.97 0.94 0.00 99.05 0.11 0.06 0.65 98.68 0.49 0.00 0.00 0.00 42 A H H 57.04 2.38 15.01 17.79 91.85 51.22 -64.30 -40.30 3.13 0.00 96.87 0.18 0.14 2.70 95.90 1.07 0.00 0.00 0.00 43 L H H 93.46 1.95 14.58 16.52 92.39 50.58 -65.38 -39.91 5.34 0.01 94.65 0.40 0.35 4.44 93.22 1.56 0.01 0.00 0.00 44 L H H 83.27 3.22 11.73 16.42 93.13 51.53 -66.75 -39.20 7.11 0.13 92.76 2.04 1.14 4.25 88.74 3.66 0.04 0.07 0.05 45 E H H 117.24 2.36 11.72 15.07 93.62 52.50 -66.48 -38.13 12.14 0.23 87.63 3.35 1.44 7.56 82.25 5.12 0.04 0.12 0.11 46 E H H 139.42 1.18 11.80 12.96 92.90 51.60 -68.40 -31.72 17.47 0.18 82.34 2.43 1.85 13.29 78.05 4.13 0.06 0.09 0.10 47 H C H 128.57 2.11 10.59 13.61 98.76 40.17 -97.16 3.52 53.15 0.39 46.45 6.16 7.84 38.50 44.00 2.99 0.08 0.14 0.28 48 D C T 110.60 2.68 10.17 14.50 98.51 -129.09 42.21 39.73 90.44 1.06 8.50 30.03 13.65 47.21 5.63 2.45 0.00 0.48 0.55 49 I C T 115.81 2.69 10.17 14.34 98.74 141.73 -80.85 -22.58 94.79 1.72 3.48 19.27 35.81 40.13 1.18 1.97 0.00 0.91 0.72 50 F C T 128.23 4.08 9.97 15.70 115.49 36.12 -115.20 117.95 83.92 12.03 4.05 26.80 24.61 33.55 1.19 2.62 0.03 6.16 5.02 51 V C C 90.46 4.52 8.69 15.32 116.38 96.51 -104.98 123.46 93.14 6.66 0.20 64.77 28.38 0.64 0.08 0.12 0.00 4.62 1.39 52 P C C 90.96 3.83 8.96 14.83 112.94 -118.69 -67.83 148.06 97.24 2.66 0.09 96.91 0.39 0.25 0.03 0.03 0.00 1.90 0.49 53 E C C 154.55 1.65 11.46 14.32 107.68 -112.24 -76.72 129.91 99.95 0.04 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.02 0.00