# 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 A C C 43.76 11.05 17.32 28.74 117.13 -133.19 -86.43 139.07 99.90 0.10 0.00 99.84 0.08 0.01 0.00 0.00 0.00 0.07 0.00 1 K E E 98.40 9.34 19.67 29.26 123.49 -146.76 -111.23 139.15 31.29 68.69 0.02 30.74 0.47 0.05 0.00 0.01 0.00 68.23 0.48 2 L E E 13.38 22.11 15.03 37.00 124.05 -160.91 -114.69 137.38 3.31 96.68 0.01 3.07 0.12 0.01 0.00 0.00 0.00 96.73 0.06 3 Q E E 59.76 9.66 26.13 36.30 120.71 -155.43 -109.76 133.28 0.66 99.33 0.01 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 4 I E E 3.39 26.31 17.66 45.01 120.35 -160.38 -112.14 128.23 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 5 T E E 33.98 10.12 26.65 37.61 122.93 -169.12 -118.28 135.47 0.35 99.65 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.01 6 L E E 19.22 21.80 16.21 37.96 111.71 -126.89 -79.10 127.08 6.32 93.64 0.04 6.10 0.26 0.02 0.02 0.01 0.00 93.43 0.16 7 T C C 58.14 8.94 21.11 30.49 102.50 -172.92 -95.19 -25.71 62.25 34.95 2.81 37.64 22.15 2.86 0.72 1.68 0.00 34.03 0.92 8 R C S 118.17 6.44 19.98 26.90 128.04 9.97 -129.41 152.66 78.12 13.23 8.65 22.04 49.13 8.16 2.05 5.30 0.05 11.72 1.55 9 S C C 62.53 8.31 17.95 26.70 112.12 -86.08 -78.44 138.73 85.79 5.29 8.92 70.22 10.34 5.02 1.87 7.30 0.00 4.24 1.01 10 V C C 37.52 17.18 12.56 29.28 99.32 63.69 -93.08 1.63 80.67 6.68 12.65 65.54 7.78 6.62 3.13 9.89 0.00 3.69 3.34 11 I C T 100.26 7.78 14.27 23.52 112.03 119.91 -69.93 130.65 89.79 4.26 5.96 18.16 15.23 56.39 1.30 4.48 0.01 2.46 1.95 12 G C T 64.64 0.84 17.13 16.36 95.61 16.88 81.36 0.13 96.39 0.73 2.88 13.31 21.06 61.90 0.41 2.61 0.00 0.44 0.28 13 R C S 65.95 15.32 8.04 22.72 121.72 125.00 -86.55 148.61 99.23 0.64 0.13 38.13 60.92 0.28 0.06 0.04 0.00 0.17 0.40 14 P C C 71.36 3.15 16.59 20.23 115.22 -101.68 -64.33 151.75 99.43 0.32 0.25 97.93 1.40 0.17 0.18 0.03 0.00 0.08 0.21 15 E H H 135.37 3.33 13.33 18.57 91.37 -109.74 -57.09 -38.89 2.85 0.01 97.15 0.50 0.41 1.65 96.49 0.95 0.00 0.00 0.00 16 T H H 86.09 2.63 17.56 20.43 91.63 53.62 -63.93 -39.41 2.37 0.01 97.62 0.31 0.19 1.65 96.56 1.28 0.00 0.00 0.00 17 Q H H 34.16 15.64 14.98 30.82 92.19 49.07 -66.48 -39.83 1.25 0.02 98.73 0.39 0.12 0.65 97.79 1.02 0.00 0.01 0.00 18 R H H 76.09 14.41 16.44 30.64 91.55 52.48 -62.39 -42.15 0.31 0.00 99.69 0.10 0.03 0.11 99.68 0.07 0.00 0.00 0.00 19 K H H 118.22 2.16 24.01 24.69 91.83 50.15 -64.40 -41.35 0.19 0.00 99.81 0.05 0.01 0.08 99.83 0.03 0.00 0.00 0.00 20 T H H 27.81 11.74 20.54 33.24 91.92 50.07 -64.12 -43.07 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.03 0.00 0.00 0.00 21 V H H 2.74 25.73 15.50 41.66 91.30 49.72 -63.24 -43.26 0.19 0.00 99.81 0.02 0.01 0.10 99.77 0.10 0.00 0.00 0.00 22 E H H 108.37 6.92 21.56 29.36 91.50 50.41 -62.96 -40.82 0.50 0.00 99.49 0.04 0.02 0.38 99.27 0.29 0.00 0.00 0.00 23 A H H 66.18 4.07 21.75 26.17 90.69 54.65 -64.66 -30.36 4.72 0.00 95.28 0.06 0.09 4.84 94.60 0.41 0.00 0.00 0.00 24 L C T 22.26 19.19 15.72 35.14 92.13 52.70 -83.48 -8.27 66.16 0.02 33.82 0.22 0.90 65.17 32.88 0.79 0.00 0.01 0.02 25 G C T 36.44 4.89 24.22 30.17 97.60 -110.77 85.48 16.85 99.66 0.01 0.33 2.00 1.16 96.62 0.18 0.04 0.00 0.00 0.00 26 L C C 10.80 24.13 9.35 32.75 110.47 154.83 -79.79 120.88 99.11 0.45 0.44 98.08 0.79 0.41 0.18 0.10 0.00 0.14 0.31 27 K C C 147.37 2.17 20.40 22.76 101.06 170.11 -102.11 -17.07 99.33 0.34 0.33 83.58 14.18 1.55 0.11 0.18 0.00 0.13 0.28 28 K C S 117.10 2.42 21.11 23.20 131.63 42.87 -129.48 158.53 91.47 7.70 0.82 16.28 71.69 2.33 0.25 0.40 0.00 1.03 8.02 29 T C T 73.34 10.19 14.79 25.79 111.87 -87.95 -63.34 138.56 98.73 0.63 0.65 0.66 8.10 90.02 0.03 0.62 0.00 0.34 0.23 30 N C T 100.07 6.18 18.00 25.50 93.26 14.48 68.71 21.27 99.39 0.39 0.22 1.48 7.19 90.67 0.01 0.30 0.00 0.31 0.05 31 S C C 41.01 8.49 18.00 27.90 121.90 132.34 -94.50 147.11 73.27 26.63 0.10 60.42 12.82 0.36 0.02 0.12 0.00 24.13 2.13 32 S E E 43.88 16.00 16.14 31.53 132.11 -161.90 -125.07 152.27 15.49 84.51 0.01 15.39 0.25 0.01 0.00 0.01 0.00 83.75 0.59 33 V E E 33.91 14.73 19.12 34.49 126.82 -162.14 -127.44 139.63 2.09 97.91 0.00 1.93 0.06 0.00 0.00 0.00 0.00 97.97 0.04 34 V E E 67.42 11.89 20.27 32.35 118.09 -150.39 -107.43 126.26 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 35 V E E 33.57 15.36 15.56 31.52 127.83 -174.18 -126.10 143.41 2.65 97.35 0.00 2.59 0.05 0.00 0.00 0.00 0.00 97.23 0.12 36 E C E 116.68 3.59 21.80 25.46 115.05 -106.41 -72.44 143.81 51.83 48.11 0.06 43.51 5.09 0.42 0.00 0.05 0.00 50.62 0.31 37 D C C 57.47 16.78 11.65 27.75 106.89 -109.96 -70.93 116.45 98.22 1.66 0.12 75.98 21.20 1.16 0.02 0.12 0.00 1.29 0.22 38 N C C 63.69 4.78 17.47 23.46 132.34 156.96 -131.77 167.09 99.50 0.20 0.30 87.32 12.00 0.15 0.29 0.03 0.00 0.05 0.16 39 P H H 109.78 1.69 15.47 17.37 91.11 -98.42 -59.96 -35.92 2.15 0.00 97.85 0.12 0.23 1.70 97.56 0.39 0.00 0.00 0.00 40 A H H 64.19 3.29 17.25 21.08 91.84 53.34 -64.65 -40.30 1.17 0.00 98.83 0.08 0.10 0.95 98.48 0.38 0.00 0.00 0.00 41 I H H 12.82 20.76 12.75 33.25 92.41 47.68 -66.00 -41.87 0.29 0.00 99.71 0.04 0.02 0.19 99.51 0.24 0.00 0.00 0.00 42 R H H 97.45 11.60 17.89 29.61 91.40 52.96 -61.98 -41.78 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 43 G H H 35.93 2.20 22.26 23.02 91.33 50.58 -63.06 -41.73 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 44 Q H H 41.56 12.93 19.44 32.85 92.01 50.09 -65.33 -40.79 0.16 0.00 99.84 0.01 0.00 0.11 99.81 0.07 0.00 0.00 0.00 45 I H H 6.78 24.53 14.57 39.07 91.39 51.68 -63.48 -41.73 0.21 0.00 99.79 0.01 0.01 0.16 99.61 0.22 0.00 0.00 0.00 46 N H H 96.70 4.43 21.10 26.32 91.18 53.42 -63.97 -35.18 2.26 0.00 97.74 0.04 0.04 2.42 96.59 0.92 0.00 0.00 0.00 47 K H H 117.60 4.33 20.37 25.10 91.66 52.49 -68.98 -28.27 10.64 0.00 89.36 0.06 0.16 11.77 87.05 0.95 0.00 0.00 0.00 48 V H H 9.13 22.12 12.85 35.37 99.49 42.44 -104.37 7.34 36.84 0.18 62.97 2.22 3.74 30.95 60.26 2.53 0.09 0.05 0.15 49 K H G 106.23 12.06 15.69 28.41 92.02 117.35 -58.33 -33.36 39.60 0.37 60.04 1.53 1.66 36.08 1.72 58.70 0.00 0.24 0.07 50 H H G 138.89 2.43 21.03 23.51 90.30 61.14 -72.59 -15.48 44.24 0.12 55.64 0.33 1.48 41.64 0.66 55.80 0.00 0.07 0.02 51 L H G 38.62 16.27 16.24 32.57 98.33 46.64 -101.01 -8.15 44.67 0.65 54.68 1.10 2.66 38.96 0.58 56.13 0.00 0.53 0.05 52 V E E 9.02 24.30 12.17 36.36 128.04 63.10 -120.74 142.97 6.51 93.43 0.06 5.05 1.47 0.11 0.01 0.04 0.00 92.93 0.39 53 T E E 65.13 5.64 24.94 30.77 120.11 -159.97 -111.91 132.86 1.03 98.96 0.00 0.91 0.05 0.00 0.00 0.00 0.00 99.02 0.02 54 V E E 37.93 20.48 12.33 31.89 122.41 -162.38 -117.52 132.31 1.49 98.51 0.00 1.35 0.06 0.01 0.00 0.00 0.00 98.51 0.07 55 E E E 102.38 4.44 18.06 23.71 124.69 -172.68 -121.12 141.05 7.55 92.42 0.02 6.77 0.46 0.05 0.01 0.01 0.00 92.55 0.15 56 E E E 118.40 7.21 11.42 20.36 114.31 -126.08 -85.94 133.34 24.37 75.57 0.06 23.81 0.45 0.08 0.01 0.03 0.00 75.01 0.61 57 K C C 132.13 4.54 13.81 19.86 115.26 -145.87 -94.05 126.82 99.72 0.28 0.00 99.74 0.04 0.01 0.00 0.00 0.00 0.20 0.01