# 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 131.27 3.47 11.95 16.93 108.57 -155.19 -90.30 110.73 99.93 0.06 0.01 99.86 0.08 0.02 0.00 0.00 0.00 0.03 0.01 1 F C C 126.83 5.56 9.69 17.05 116.10 -159.93 -94.54 130.58 95.53 3.54 0.93 94.39 0.62 1.25 0.39 0.28 0.00 2.01 1.06 2 K C C 148.60 2.39 12.62 16.56 117.23 -153.45 -102.94 130.54 91.08 7.58 1.34 80.62 8.02 2.34 0.64 0.66 0.00 4.34 3.37 3 Y C C 73.33 13.80 7.71 21.20 120.69 -154.20 -100.93 140.30 93.67 5.32 1.00 81.52 11.22 0.95 0.64 0.36 0.00 2.86 2.45 4 T C C 67.64 2.61 15.71 18.50 121.35 -125.81 -82.68 165.39 95.98 3.05 0.97 92.98 3.00 0.38 0.80 0.14 0.00 1.22 1.47 5 R H H 164.66 2.86 12.16 16.85 91.11 -103.75 -58.24 -37.70 2.85 0.01 97.14 0.49 0.55 1.57 97.10 0.29 0.00 0.00 0.00 6 F H H 142.26 1.36 15.29 15.97 91.94 52.35 -64.75 -40.38 1.49 0.00 98.51 0.19 0.15 1.01 98.34 0.31 0.00 0.00 0.00 7 E H H 64.37 8.17 14.53 24.23 91.94 48.79 -65.52 -40.62 0.43 0.00 99.57 0.10 0.04 0.24 99.38 0.24 0.00 0.00 0.00 8 K H H 66.72 13.20 14.80 28.26 91.39 51.96 -62.44 -42.25 0.18 0.00 99.82 0.04 0.01 0.10 99.78 0.07 0.00 0.00 0.00 9 A H H 54.36 4.02 19.10 23.60 91.76 50.85 -63.90 -40.54 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 10 R H H 131.89 2.89 21.58 24.00 91.93 50.20 -65.16 -40.87 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.04 0.00 0.00 0.00 11 I H H 33.67 14.49 18.17 33.18 92.11 49.11 -64.97 -42.88 0.28 0.00 99.72 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 12 I H H 43.53 14.79 19.30 33.96 91.83 50.44 -63.98 -42.17 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 13 G H H 35.01 3.74 22.60 26.17 91.38 50.96 -63.31 -42.15 0.31 0.00 99.69 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 14 A H H 45.80 5.25 22.48 28.02 91.58 49.67 -64.44 -41.41 0.31 0.00 99.69 0.02 0.01 0.21 99.72 0.04 0.00 0.00 0.00 15 R H H 51.94 15.87 18.66 34.28 91.91 50.53 -64.42 -41.69 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 16 A H H 32.16 11.13 18.57 30.60 91.51 52.04 -62.84 -42.13 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 17 L H H 97.03 2.11 22.44 23.00 91.75 49.94 -64.07 -41.46 0.21 0.00 99.79 0.02 0.01 0.13 99.76 0.07 0.00 0.00 0.00 18 Q H H 65.59 7.16 17.49 25.91 92.02 49.96 -65.22 -40.85 0.45 0.00 99.54 0.04 0.03 0.31 99.41 0.21 0.00 0.00 0.00 19 I H H 43.88 13.79 12.83 27.15 91.93 49.39 -64.93 -40.92 0.90 0.00 99.09 0.07 0.06 0.68 98.71 0.48 0.00 0.00 0.00 20 S H H 75.87 3.77 15.10 20.15 90.73 53.99 -66.17 -27.81 6.85 0.01 93.14 0.21 0.28 6.45 92.27 0.77 0.01 0.00 0.01 21 M C T 136.70 1.47 14.06 15.40 93.56 54.74 -85.29 -0.13 75.48 0.03 24.49 0.28 1.05 74.24 23.38 1.02 0.00 0.01 0.03 22 G C T 58.80 1.65 14.25 16.25 98.41 -96.06 86.86 8.64 91.57 0.02 8.41 1.04 1.77 87.66 9.17 0.35 0.00 0.01 0.02 23 A C C 42.81 9.29 8.74 19.57 117.47 152.11 -76.20 146.53 99.61 0.27 0.12 85.09 14.26 0.26 0.06 0.04 0.00 0.08 0.21 24 P C C 101.59 1.87 16.20 17.99 112.10 -100.72 -66.50 145.43 99.19 0.56 0.25 93.89 4.59 0.76 0.06 0.17 0.00 0.27 0.28 25 V C C 79.73 12.12 9.13 21.26 112.53 -120.88 -80.52 129.32 89.75 9.05 1.20 84.90 3.37 0.97 0.39 0.70 0.00 3.51 6.16 26 L C C 117.89 3.05 14.21 18.44 97.59 -166.98 -84.75 -19.32 94.22 4.68 1.11 48.71 42.79 3.07 0.19 0.98 0.00 2.38 1.87 27 I C C 72.12 8.89 10.06 20.51 125.71 47.44 -123.07 141.70 89.17 10.20 0.63 48.34 39.38 1.99 0.15 0.57 0.00 4.38 5.19 28 D C C 124.26 1.11 17.01 17.53 111.24 -120.86 -82.88 123.55 96.99 2.83 0.18 92.86 3.90 0.51 0.03 0.17 0.00 1.78 0.75 29 V C C 53.72 16.03 7.10 21.64 120.56 -158.80 -102.55 137.62 98.67 1.29 0.04 92.07 6.55 0.09 0.02 0.02 0.00 0.50 0.75 30 P C C 75.78 3.23 12.65 17.25 115.75 -106.48 -65.71 150.20 99.73 0.17 0.10 97.49 1.80 0.46 0.02 0.06 0.00 0.07 0.11 31 P C T 127.21 0.84 11.36 12.47 108.65 -94.95 -62.83 137.06 99.62 0.07 0.32 2.72 9.20 87.69 0.03 0.29 0.00 0.04 0.03 32 G C T 68.43 0.34 13.45 11.39 96.17 23.34 80.63 -0.06 99.68 0.08 0.25 5.21 7.62 86.83 0.02 0.25 0.00 0.05 0.02 33 I C C 51.36 11.82 7.43 19.97 118.68 122.75 -88.43 139.29 99.03 0.85 0.12 65.23 33.36 0.23 0.05 0.05 0.00 0.19 0.88 34 T C C 74.42 3.04 20.51 22.93 115.49 -127.56 -81.82 145.81 99.88 0.09 0.03 99.21 0.68 0.02 0.02 0.00 0.00 0.02 0.05 35 P H H 37.50 18.28 13.51 31.39 91.94 -119.17 -58.62 -37.93 0.99 0.00 99.01 0.11 0.07 0.65 98.91 0.26 0.00 0.00 0.00 36 L H H 67.28 11.81 19.22 31.04 91.89 53.49 -63.83 -40.85 0.27 0.00 99.73 0.02 0.01 0.19 99.52 0.26 0.00 0.00 0.00 37 E H H 101.80 3.12 24.33 26.65 91.67 48.85 -65.57 -40.98 0.07 0.00 99.93 0.01 0.00 0.04 99.75 0.20 0.00 0.00 0.00 38 A H H 13.37 13.77 19.40 34.38 91.58 49.62 -64.10 -43.11 0.03 0.00 99.97 0.00 0.00 0.02 99.93 0.05 0.00 0.00 0.00 39 A H H 5.83 20.98 17.34 38.84 91.20 51.02 -62.64 -43.35 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 40 I H H 68.21 7.56 22.76 30.78 91.36 50.44 -63.15 -42.34 0.02 0.00 99.98 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 41 L H H 66.20 4.19 22.66 26.96 91.38 50.14 -63.65 -42.52 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 42 E H H 20.60 14.24 16.21 31.91 91.64 49.81 -64.23 -42.29 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 43 F H H 53.61 14.96 14.54 29.52 92.30 49.27 -64.59 -41.81 0.24 0.00 99.76 0.01 0.01 0.19 99.65 0.14 0.00 0.00 0.00 44 E H H 139.41 1.92 16.85 19.00 91.31 50.81 -65.21 -33.39 2.10 0.00 97.90 0.03 0.04 2.15 97.60 0.19 0.00 0.00 0.00 45 K C T 132.72 2.25 15.16 17.66 92.70 50.83 -85.63 -4.86 62.47 0.01 37.51 0.14 0.58 62.31 36.44 0.53 0.00 0.00 0.01 46 G C T 49.56 5.03 13.77 20.57 93.88 -117.56 74.22 18.78 99.87 0.01 0.12 0.64 1.65 97.65 0.04 0.02 0.00 0.00 0.00 47 V C S 73.80 7.06 16.19 24.40 97.84 126.32 -84.77 -15.20 99.04 0.89 0.07 47.18 51.27 0.68 0.02 0.03 0.00 0.29 0.53 48 I C S 28.89 19.95 10.69 29.88 113.84 75.90 -102.09 116.22 96.98 2.97 0.05 37.44 59.99 0.31 0.01 0.03 0.00 1.44 0.78 49 P C C 76.51 5.12 20.66 26.21 106.24 -153.33 -76.74 96.09 96.38 3.58 0.04 84.57 11.44 0.38 0.01 0.04 0.00 3.22 0.34 50 I C C 60.01 15.55 12.25 27.44 123.29 155.84 -115.59 139.59 66.03 33.86 0.11 53.20 11.73 0.52 0.02 0.11 0.00 33.01 1.41 51 T E E 79.94 5.33 16.95 23.45 120.41 -159.47 -112.51 132.00 26.82 73.12 0.06 25.78 0.90 0.10 0.01 0.04 0.00 72.11 1.06 52 V E E 63.90 12.00 11.47 24.29 118.67 -159.78 -110.53 126.94 20.29 79.69 0.02 20.46 0.35 0.03 0.01 0.01 0.00 78.00 1.14 53 I E E 107.94 4.05 13.71 19.44 118.87 -160.88 -106.70 129.70 30.30 69.67 0.02 29.87 0.56 0.04 0.01 0.01 0.00 68.40 1.11 54 R C C 138.42 6.06 9.44 17.49 118.18 -156.11 -103.88 133.03 70.63 29.36 0.02 68.35 1.32 0.06 0.00 0.01 0.00 29.77 0.48 55 P C C 92.86 3.78 9.46 15.11 113.32 -115.69 -69.59 150.07 86.32 13.55 0.13 85.42 0.63 0.34 0.03 0.06 0.00 12.93 0.58 56 S C C 93.75 1.74 11.66 14.30 106.58 -114.34 -78.34 113.31 99.91 0.08 0.01 99.65 0.20 0.08 0.00 0.00 0.00 0.05 0.01