# 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 M C C 106.00 6.83 13.20 21.38 120.87 -164.89 -110.41 137.54 99.81 0.19 0.00 99.83 0.04 0.01 0.00 0.00 0.00 0.12 0.00 1 L E E 85.33 7.95 11.88 21.19 118.32 -149.88 -102.42 131.25 42.84 56.94 0.22 43.24 0.26 0.44 0.05 0.12 0.00 54.70 1.18 2 I E E 101.42 5.62 13.32 20.67 118.07 -158.43 -108.41 127.95 23.88 75.66 0.47 21.47 1.78 0.66 0.13 0.32 0.00 73.74 1.89 3 L E E 58.86 12.02 12.00 25.07 121.42 -167.50 -114.43 135.04 27.29 72.43 0.29 23.37 3.02 1.00 0.05 0.27 0.00 71.64 0.66 4 T E E 83.65 5.17 18.17 24.49 120.10 -165.09 -112.57 132.50 35.19 64.47 0.35 31.25 2.51 0.91 0.07 0.30 0.00 64.10 0.86 5 R C C 73.17 13.60 12.18 26.28 133.36 174.78 -137.94 155.37 53.55 46.35 0.10 51.74 2.10 0.16 0.04 0.07 0.00 43.13 2.76 6 R C C 140.34 2.94 19.26 22.36 120.06 -119.20 -89.35 151.47 80.96 18.98 0.07 80.24 1.68 0.11 0.02 0.04 0.00 14.31 3.60 7 V C T 88.16 8.82 12.09 22.17 110.08 -84.48 -59.60 134.35 99.16 0.70 0.15 0.27 2.13 97.05 0.00 0.10 0.00 0.33 0.12 8 G C T 52.93 2.34 16.96 19.65 95.35 22.69 87.70 -5.43 99.73 0.21 0.06 0.35 2.44 97.01 0.00 0.05 0.00 0.14 0.01 9 E C C 83.66 7.16 14.49 23.39 120.80 122.44 -83.79 147.40 91.34 8.63 0.04 81.11 9.40 0.18 0.00 0.04 0.00 9.01 0.26 10 T E E 68.77 9.52 15.78 26.42 122.54 -143.43 -111.87 139.28 8.14 91.86 0.00 8.37 0.14 0.01 0.00 0.00 0.00 91.14 0.34 11 L E E 37.17 14.88 14.56 30.39 124.73 -168.07 -121.70 137.16 0.40 99.59 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.02 12 M E E 99.15 6.50 18.30 25.89 114.67 -140.50 -98.80 124.34 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.42 0.03 13 V E E 43.35 14.56 11.85 26.58 112.70 -175.26 -114.55 107.95 15.30 84.65 0.05 12.18 1.87 0.28 0.01 0.04 0.00 85.42 0.20 14 G C E 38.31 4.15 16.17 21.04 121.07 -45.90 84.54 -159.02 63.49 35.58 0.92 9.66 24.47 30.18 0.04 1.06 0.00 33.85 0.75 15 D C T 126.71 1.36 14.87 16.26 95.52 -40.42 -74.54 -15.83 99.00 0.40 0.60 1.60 29.92 67.46 0.01 0.67 0.00 0.27 0.07 16 D C T 93.17 5.41 15.30 21.57 100.98 31.72 -102.44 -2.48 98.44 1.20 0.36 1.82 31.77 64.91 0.01 0.40 0.00 0.99 0.09 17 V E E 27.42 16.64 11.72 28.89 122.11 84.32 -115.18 131.39 8.85 91.15 0.01 7.73 0.51 0.03 0.00 0.00 0.00 91.61 0.11 18 T E E 49.49 7.53 21.15 29.92 122.79 -168.43 -119.85 134.22 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 19 V E E 22.57 19.29 15.69 35.25 120.74 -163.64 -115.82 128.93 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 T E E 50.66 7.06 23.22 31.01 119.82 -166.05 -113.56 129.97 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 21 V E E 36.45 17.19 12.39 29.84 110.23 -131.43 -81.28 122.18 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 22 L E E 90.43 4.52 18.06 23.58 101.15 176.12 -100.20 -23.20 2.64 97.35 0.01 1.89 0.39 0.03 0.00 0.00 0.00 97.68 0.01 23 G E E 30.58 3.55 20.06 24.23 142.31 -29.49 172.87 173.07 3.65 96.34 0.01 2.53 0.62 0.06 0.00 0.01 0.00 96.76 0.03 24 V E E 76.74 12.08 9.16 21.64 123.77 -123.00 -125.20 135.10 4.73 95.24 0.03 4.10 0.42 0.06 0.01 0.01 0.00 95.21 0.19 25 K E E 138.84 1.90 12.60 15.60 116.90 -176.25 -127.82 113.53 14.64 85.15 0.22 9.98 3.61 1.32 0.04 0.19 0.00 84.07 0.80 26 G C T 63.25 0.58 13.06 12.26 109.58 -44.67 62.58 -129.91 99.09 0.45 0.46 0.74 11.38 86.98 0.01 0.50 0.00 0.34 0.06 27 N C T 131.81 2.06 11.34 14.47 96.85 -22.07 -93.50 10.59 99.45 0.20 0.34 0.92 11.14 87.36 0.01 0.40 0.00 0.15 0.02 28 Q E E 97.11 4.66 13.40 19.96 122.32 93.16 -104.08 141.75 9.94 90.01 0.05 6.25 3.53 0.39 0.01 0.04 0.00 89.37 0.43 29 V E E 46.71 13.12 11.35 25.43 124.13 -165.65 -119.93 137.06 1.88 98.11 0.00 1.75 0.05 0.00 0.00 0.00 0.00 98.18 0.02 30 R E E 106.29 6.83 19.06 27.07 120.16 -159.01 -111.94 131.33 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 31 I E E 39.78 16.83 14.86 31.92 122.03 -167.75 -115.00 132.34 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 32 G E E 24.06 9.08 20.48 30.51 127.69 -165.59 -123.03 145.67 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 33 V E E 31.35 17.82 14.57 32.52 129.17 -168.68 -132.00 141.55 0.74 99.26 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.26 0.03 34 N E E 94.36 4.96 22.13 27.80 114.91 -151.74 -105.56 119.97 12.14 87.84 0.02 10.46 1.58 0.13 0.00 0.01 0.00 87.39 0.43 35 A C C 24.93 16.90 10.52 27.00 130.01 167.29 -122.64 155.06 83.86 16.12 0.02 79.48 3.03 0.08 0.00 0.01 0.00 17.03 0.37 36 P C C 57.56 4.92 15.96 22.31 114.73 -100.48 -64.98 151.17 94.26 5.18 0.55 89.37 3.42 1.57 0.12 0.44 0.00 4.08 0.99 37 K C T 159.76 2.58 11.83 16.35 92.25 -109.77 -61.96 -26.16 95.36 0.58 4.06 2.92 18.91 73.74 0.46 3.36 0.00 0.33 0.28 38 E C T 160.17 0.71 14.67 13.89 94.08 58.51 -83.27 -6.68 93.98 1.60 4.42 6.11 15.04 72.89 0.55 3.83 0.00 1.14 0.42 39 V C C 48.54 12.77 8.77 22.07 115.21 90.15 -93.69 127.76 76.94 18.30 4.76 49.31 25.66 3.24 1.70 2.97 0.01 14.12 2.98 40 A C C 68.05 3.88 18.04 22.66 114.64 -139.08 -83.93 134.80 66.37 31.86 1.77 63.38 2.09 0.90 0.83 0.80 0.00 29.53 2.48 41 V C C 45.52 17.52 11.30 28.16 120.00 -163.03 -113.58 132.56 49.12 48.97 1.91 44.23 3.40 0.80 1.51 0.71 0.00 42.84 6.51 42 H C C 95.60 7.03 16.79 24.90 119.79 -159.27 -107.39 132.93 61.28 37.22 1.49 56.37 3.19 0.73 1.11 0.52 0.00 32.87 5.20 43 R C C 103.48 10.17 12.94 23.86 112.67 -152.61 -85.00 130.60 83.45 10.35 6.20 78.14 4.30 0.93 6.26 0.61 0.00 8.16 1.59 44 E H H 121.42 2.74 14.95 18.52 93.78 -111.00 -62.39 -40.50 6.76 0.07 93.16 2.38 1.37 3.09 91.85 1.23 0.00 0.03 0.02 45 E H H 112.38 2.24 15.87 18.03 92.53 52.52 -65.84 -39.01 3.87 0.08 96.04 1.31 0.52 2.07 94.57 1.46 0.01 0.05 0.02 46 I H H 45.95 9.53 12.61 23.81 92.84 49.85 -65.92 -41.76 1.47 0.06 98.48 0.58 0.19 0.70 97.22 1.26 0.00 0.04 0.01 47 Y H H 87.29 6.91 13.40 22.12 92.02 50.56 -64.44 -41.27 0.93 0.03 99.03 0.36 0.10 0.43 98.60 0.48 0.00 0.03 0.00 48 Q H H 98.15 1.75 15.83 17.08 92.04 50.67 -64.32 -40.78 1.29 0.04 98.68 0.46 0.13 0.65 98.37 0.37 0.00 0.03 0.00 49 R H H 117.73 2.73 14.48 17.84 92.42 49.68 -65.68 -40.47 1.82 0.04 98.14 0.57 0.17 0.99 97.81 0.42 0.00 0.03 0.01 50 I H H 63.00 6.38 10.98 19.33 92.75 49.75 -66.02 -40.11 2.89 0.06 97.06 0.92 0.31 1.51 96.58 0.62 0.00 0.03 0.01 51 Q H H 112.99 2.20 11.88 15.01 92.62 51.55 -66.47 -37.31 7.12 0.06 92.82 1.83 0.70 4.22 92.24 0.97 0.01 0.03 0.02 52 K H H 151.18 0.99 11.17 12.04 94.08 52.30 -70.30 -30.51 19.85 0.08 80.07 3.22 1.77 13.81 79.91 1.21 0.01 0.03 0.04 53 E H H 130.30 2.39 9.23 12.97 97.78 55.40 -79.97 -12.34 46.17 0.15 53.69 18.84 1.59 22.93 55.48 1.01 0.00 0.05 0.10 54 K C C 147.25 2.83 11.08 15.43 100.77 81.09 -72.89 21.62 99.81 0.02 0.18 99.29 0.14 0.39 0.16 0.01 0.00 0.01 0.00