# 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 R C C 144.80 5.49 13.17 20.13 112.84 -155.32 -90.75 125.04 99.92 0.04 0.04 99.81 0.08 0.07 0.02 0.00 0.00 0.02 0.01 1 D C C 98.14 5.02 11.44 18.16 106.13 -152.74 -86.69 69.45 86.27 0.91 12.83 78.22 1.53 8.09 4.30 6.88 0.00 0.46 0.52 2 N C C 105.11 4.04 12.75 18.16 104.45 68.21 -91.66 47.66 79.71 1.84 18.45 49.26 12.80 17.63 5.06 13.27 0.00 0.94 1.04 3 I C C 56.63 14.76 9.03 23.11 101.11 123.27 -90.57 9.63 72.76 4.09 23.15 47.32 9.98 14.94 5.07 18.33 0.00 2.13 2.22 4 Q C T 127.06 3.51 14.02 19.35 108.31 121.50 -74.65 116.06 81.34 2.25 16.42 15.17 10.22 56.15 4.64 11.31 0.02 1.25 1.23 5 G C T 55.31 2.55 16.47 19.45 98.00 20.24 82.96 -1.25 88.14 1.18 10.68 13.68 13.79 60.82 2.27 8.22 0.00 0.70 0.51 6 I C C 38.08 17.41 8.69 25.32 116.04 111.71 -91.14 129.41 94.53 3.98 1.49 75.48 17.56 0.95 1.00 0.48 0.00 1.27 3.26 7 T C C 72.51 3.04 19.94 22.45 120.87 -139.08 -85.82 159.02 96.73 1.76 1.51 94.26 2.11 0.42 1.34 0.16 0.00 0.55 1.16 8 K H H 111.69 9.91 13.33 24.05 92.82 -108.03 -58.63 -39.80 3.78 0.02 96.20 1.27 0.73 1.52 96.06 0.41 0.00 0.01 0.01 9 P H H 79.81 2.24 18.50 20.17 91.57 52.62 -63.39 -39.05 2.14 0.01 97.85 0.50 0.21 1.24 97.51 0.53 0.00 0.00 0.00 10 A H H 33.77 6.91 16.84 25.60 91.74 50.75 -64.78 -40.45 0.83 0.01 99.16 0.25 0.08 0.41 98.76 0.50 0.00 0.01 0.00 11 I H H 19.27 17.64 13.74 31.70 91.89 50.21 -64.55 -42.28 0.56 0.01 99.43 0.18 0.07 0.25 99.28 0.21 0.00 0.01 0.00 12 R H H 114.45 6.39 19.00 26.22 91.53 50.79 -63.22 -40.99 0.84 0.02 99.14 0.28 0.09 0.38 99.13 0.11 0.00 0.01 0.00 13 R H H 129.51 2.05 20.57 21.40 91.82 49.86 -64.44 -42.12 1.08 0.03 98.89 0.30 0.13 0.53 98.88 0.13 0.00 0.01 0.00 14 L H H 45.21 9.14 16.24 27.08 92.22 49.72 -64.75 -41.49 1.44 0.05 98.51 0.40 0.20 0.77 98.33 0.27 0.00 0.03 0.01 15 A H H 23.84 12.55 12.60 26.38 92.08 51.56 -63.79 -40.33 2.96 0.06 96.98 0.73 0.27 1.80 96.48 0.67 0.01 0.04 0.01 16 R H H 165.84 1.72 16.08 17.96 92.40 49.71 -66.08 -37.22 7.94 0.09 91.98 0.98 0.66 6.09 91.01 1.15 0.03 0.05 0.03 17 R H H 168.20 1.49 14.20 15.66 94.32 52.19 -72.44 -26.90 22.67 0.13 77.20 1.30 1.91 19.70 75.27 1.60 0.08 0.05 0.08 18 G C T 44.60 5.18 11.62 18.17 98.44 42.10 -88.87 -3.95 66.31 0.13 33.56 2.19 5.53 56.88 33.48 1.74 0.02 0.05 0.11 19 G C T 57.31 1.59 15.07 16.57 98.49 -112.98 79.63 13.43 98.59 0.26 1.15 27.45 11.39 59.94 0.42 0.54 0.00 0.15 0.09 20 V C C 51.91 12.59 7.24 19.91 114.09 147.60 -84.14 131.33 94.72 3.96 1.32 91.02 2.93 1.06 0.47 0.66 0.00 2.63 1.23 21 K C C 166.78 1.02 15.83 16.15 99.75 -172.11 -90.57 -23.24 93.63 5.31 1.06 57.93 31.98 4.02 0.23 0.88 0.00 4.24 0.71 22 R C C 156.65 2.30 16.23 19.22 126.28 20.10 -133.04 142.23 66.30 32.04 1.66 51.07 11.65 3.53 0.48 1.27 0.00 29.32 2.69 23 I C C 58.53 16.28 8.59 23.82 120.03 -165.91 -115.60 129.45 49.96 48.74 1.29 45.61 2.44 0.55 0.96 0.54 0.00 37.71 12.18 24 S C C 61.91 3.13 16.00 19.59 123.38 -164.58 -99.14 163.62 82.73 15.26 2.01 78.48 2.98 1.10 1.41 0.56 0.00 14.19 1.28 25 G H H 50.11 2.95 14.60 18.26 99.93 -49.96 -19.43 -49.96 34.93 0.59 64.48 5.40 9.36 21.28 56.74 6.45 0.20 0.29 0.28 26 L H H 107.41 2.33 14.79 17.26 93.57 42.82 -68.29 -34.60 22.23 0.34 77.43 4.03 3.61 15.10 69.67 7.12 0.12 0.18 0.16 27 I H H 62.78 7.67 13.79 23.00 93.01 54.02 -65.08 -40.39 12.70 0.39 86.91 4.79 2.14 6.61 79.53 6.50 0.05 0.25 0.13 28 Y H H 76.79 10.74 13.66 25.37 92.27 52.58 -63.70 -41.98 4.38 0.10 95.51 2.18 0.68 1.78 93.56 1.71 0.01 0.06 0.02 29 E H H 117.34 2.39 18.27 20.57 92.14 50.06 -64.86 -40.86 2.42 0.03 97.55 0.80 0.31 1.29 96.53 1.04 0.00 0.02 0.01 30 E H H 108.94 2.70 18.77 21.23 92.52 48.25 -65.97 -41.16 3.30 0.02 96.68 0.59 0.32 2.24 95.80 1.03 0.00 0.01 0.01 31 T H H 34.96 11.70 15.73 28.48 93.06 47.65 -67.31 -40.77 5.25 0.02 94.73 0.78 0.49 3.70 94.30 0.71 0.00 0.01 0.01 32 R H H 96.19 9.78 17.42 27.71 91.77 52.86 -63.13 -41.13 2.32 0.01 97.68 0.40 0.19 1.48 97.66 0.27 0.00 0.00 0.00 33 G H H 34.88 2.77 19.67 22.16 91.81 51.04 -63.48 -41.67 2.34 0.00 97.65 0.30 0.16 1.68 97.57 0.29 0.00 0.00 0.00 34 V H H 69.37 4.52 19.39 24.39 91.90 49.72 -64.70 -42.11 0.64 0.00 99.36 0.11 0.05 0.36 99.35 0.12 0.00 0.00 0.00 35 L H H 43.60 12.10 16.18 29.22 91.99 50.34 -64.21 -41.73 0.18 0.00 99.82 0.03 0.01 0.08 99.83 0.04 0.00 0.00 0.00 36 K H H 103.64 5.92 18.62 25.37 91.82 51.52 -63.70 -41.24 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 37 V H H 81.70 2.29 19.86 21.22 91.81 49.88 -64.30 -42.58 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 38 F H H 90.59 6.18 18.66 25.68 91.96 48.79 -64.57 -42.20 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 39 L H H 47.36 11.95 16.23 28.97 91.97 50.30 -64.85 -41.35 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 40 E H H 97.53 4.32 19.32 24.15 91.80 51.01 -64.00 -41.21 0.20 0.00 99.80 0.01 0.00 0.15 99.82 0.01 0.00 0.00 0.00 41 N H H 82.37 3.00 20.37 22.90 91.98 49.34 -65.74 -40.66 0.93 0.00 99.07 0.02 0.03 0.76 99.16 0.03 0.00 0.00 0.00 42 V H H 43.13 10.23 18.00 29.25 92.12 48.94 -64.90 -42.79 0.83 0.00 99.17 0.06 0.04 0.58 99.28 0.04 0.00 0.00 0.00 43 I H H 57.06 10.81 17.90 29.45 91.69 50.16 -64.01 -42.30 0.40 0.00 99.60 0.08 0.03 0.22 99.61 0.08 0.00 0.00 0.00 44 R H H 136.73 2.37 21.92 23.50 91.51 50.15 -63.92 -41.68 0.40 0.00 99.59 0.06 0.03 0.25 99.57 0.09 0.00 0.00 0.00 45 D H H 68.81 4.51 20.93 25.59 91.94 48.69 -65.18 -41.03 0.77 0.00 99.23 0.10 0.05 0.52 99.20 0.13 0.00 0.00 0.00 46 A H H 18.40 13.64 16.20 31.04 91.91 51.27 -64.14 -41.60 1.15 0.01 98.85 0.18 0.09 0.73 98.81 0.19 0.00 0.00 0.00 47 V H H 60.53 6.80 19.11 26.94 91.84 50.00 -64.25 -41.67 1.89 0.03 98.08 0.38 0.22 1.10 98.02 0.25 0.01 0.01 0.01 48 T H H 73.24 2.09 21.12 21.73 91.75 49.73 -64.29 -42.17 3.10 0.07 96.84 0.79 0.38 1.76 96.60 0.40 0.01 0.03 0.02 49 Y H H 84.60 6.84 17.36 25.41 92.34 48.84 -65.62 -41.24 3.79 0.11 96.10 0.97 0.57 2.27 95.24 0.83 0.02 0.06 0.03 50 T H H 27.71 11.27 12.76 25.71 92.21 50.86 -65.83 -39.96 5.67 0.12 94.21 1.73 0.75 3.10 93.07 1.24 0.01 0.07 0.03 51 E H H 125.16 2.11 16.22 18.43 92.44 51.83 -65.45 -39.26 10.51 0.08 89.41 1.67 1.04 7.39 88.41 1.41 0.02 0.04 0.03 52 H H H 141.51 1.35 14.49 15.31 93.23 49.12 -71.52 -29.55 20.65 0.11 79.24 2.33 2.40 15.58 78.23 1.33 0.04 0.04 0.06 53 A C T 49.53 7.65 9.20 18.27 98.40 57.47 -84.55 -6.18 66.49 0.35 33.17 10.27 12.57 41.15 33.91 1.73 0.02 0.11 0.24 54 K C T 178.67 0.60 14.25 13.57 95.74 -126.42 52.82 27.27 94.08 0.19 5.73 19.14 12.27 62.81 4.26 1.32 0.00 0.08 0.12 55 R C C 116.10 5.63 9.53 17.13 124.98 115.89 -112.37 145.23 94.99 0.74 4.27 69.48 17.27 8.27 2.26 1.86 0.00 0.29 0.57 56 K C S 165.90 1.58 13.46 15.75 97.49 -152.40 -83.56 -15.19 97.56 0.94 1.50 29.88 61.59 6.37 0.55 0.78 0.00 0.56 0.27 57 T C C 89.94 2.66 16.86 20.08 128.65 40.84 -130.62 144.91 79.96 18.10 1.94 45.74 30.84 4.65 0.85 1.22 0.00 13.43 3.27 58 V C C 37.47 17.54 9.35 26.25 117.78 -154.62 -107.52 128.06 74.66 24.69 0.64 69.84 5.01 0.23 0.58 0.16 0.00 17.67 6.49 59 T C C 64.13 3.78 20.47 24.01 124.74 -152.21 -94.21 164.31 87.75 11.82 0.43 88.21 0.85 0.09 0.38 0.05 0.00 9.12 1.30 60 A H H 60.94 8.79 13.77 23.71 91.15 -103.75 -58.71 -38.64 1.74 0.00 98.26 0.25 0.21 1.08 98.13 0.32 0.00 0.00 0.00 61 M H H 116.95 2.23 19.19 20.96 91.48 53.63 -63.54 -39.89 0.52 0.00 99.48 0.05 0.03 0.36 99.32 0.23 0.00 0.00 0.00 62 D H H 41.12 10.44 16.87 28.56 91.89 50.38 -65.24 -40.63 0.14 0.00 99.86 0.02 0.01 0.09 99.71 0.18 0.00 0.00 0.00 63 V H H 23.03 16.30 15.34 32.10 92.02 50.38 -64.48 -42.77 0.05 0.00 99.95 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 64 V H H 65.73 4.69 19.90 25.07 91.50 49.80 -63.11 -42.87 0.07 0.00 99.93 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 65 Y H H 109.62 2.98 20.21 22.88 91.69 49.23 -63.88 -42.00 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 66 A H H 18.17 11.44 14.35 27.77 91.51 50.75 -63.05 -42.09 0.30 0.00 99.70 0.03 0.01 0.20 99.67 0.09 0.00 0.00 0.00 67 L H H 66.71 8.57 14.73 24.59 92.03 50.21 -64.44 -40.04 0.96 0.00 99.04 0.09 0.06 0.67 98.93 0.25 0.00 0.00 0.00 68 K H H 146.65 1.38 15.50 16.55 92.24 50.38 -65.61 -37.24 3.95 0.01 96.05 0.36 0.26 2.92 95.86 0.59 0.00 0.00 0.00 69 R H H 153.23 2.55 12.68 16.17 93.46 51.09 -70.37 -30.78 16.15 0.03 83.82 1.63 1.15 12.44 83.91 0.84 0.01 0.01 0.02 70 Q H H 107.98 5.64 10.40 17.47 96.91 55.18 -79.63 -15.30 43.36 0.14 56.50 17.06 1.51 22.21 58.34 0.74 0.00 0.04 0.10 71 G C C 50.03 3.58 14.17 18.96 106.16 -118.10 65.43 12.39 99.94 0.01 0.05 99.39 0.15 0.41 0.04 0.00 0.00 0.00 0.00