# 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 114.53 5.15 12.50 19.08 114.19 -140.78 -91.15 135.47 99.91 0.05 0.05 99.79 0.08 0.08 0.02 0.00 0.00 0.02 0.01 1 S C C 65.64 5.85 10.18 17.56 112.16 -127.09 -81.23 138.17 85.40 1.04 13.56 76.37 1.28 7.92 11.77 1.59 0.00 0.45 0.63 2 S C C 61.96 3.60 11.50 16.46 115.27 -148.55 -87.67 148.41 71.01 1.11 27.88 41.06 13.37 16.39 25.09 2.98 0.00 0.41 0.69 3 F H H 135.88 4.15 10.31 16.17 94.17 -118.15 -63.88 -34.78 28.62 0.34 71.05 12.14 7.97 8.88 69.00 1.70 0.02 0.11 0.19 4 Y H H 159.48 1.34 13.19 14.36 92.31 55.68 -65.64 -39.43 5.64 0.04 94.33 2.10 1.00 2.41 93.39 1.06 0.00 0.02 0.01 5 T H H 67.12 3.48 13.21 17.84 92.92 50.31 -66.51 -40.04 2.60 0.04 97.36 1.08 0.32 1.18 96.47 0.93 0.00 0.02 0.01 6 V H H 55.79 8.16 12.35 21.97 92.37 50.10 -65.20 -41.81 1.20 0.02 98.78 0.36 0.14 0.63 98.22 0.64 0.00 0.01 0.00 7 V H H 80.35 3.48 15.57 19.76 92.01 49.31 -64.80 -41.51 0.92 0.01 99.06 0.20 0.09 0.56 98.85 0.28 0.00 0.01 0.00 8 G H H 40.24 1.72 17.04 17.80 91.88 49.94 -64.24 -41.52 1.45 0.01 98.54 0.21 0.10 1.09 98.35 0.24 0.00 0.00 0.00 9 V H H 66.01 5.32 15.34 21.86 92.20 49.36 -65.12 -41.49 1.60 0.00 98.40 0.16 0.08 1.29 98.27 0.20 0.00 0.00 0.00 10 F H H 81.21 9.29 14.42 24.76 92.08 50.38 -64.86 -40.84 0.62 0.00 99.38 0.09 0.04 0.39 99.35 0.13 0.00 0.00 0.00 11 I H H 100.44 2.27 17.96 19.70 91.75 49.91 -64.60 -41.66 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 12 V H H 87.45 1.86 18.63 19.34 91.87 48.65 -64.85 -42.40 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 13 V H H 46.76 9.42 15.12 25.89 91.96 48.51 -64.92 -41.92 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.04 0.00 0.00 0.00 14 S H H 45.45 7.91 16.01 25.16 91.71 50.89 -63.10 -41.59 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 15 A H H 65.47 1.52 19.84 19.37 91.78 49.81 -64.22 -41.50 0.18 0.00 99.82 0.01 0.00 0.13 99.79 0.07 0.00 0.00 0.00 16 M H H 91.69 3.45 18.49 22.15 92.05 49.12 -65.41 -41.22 0.34 0.00 99.66 0.02 0.01 0.26 99.57 0.14 0.00 0.00 0.00 17 S H H 23.51 12.70 13.40 27.31 91.90 51.28 -64.05 -40.86 1.71 0.00 98.29 0.06 0.05 1.55 97.85 0.49 0.00 0.00 0.00 18 V H H 79.98 3.60 17.64 21.67 91.86 50.49 -64.29 -40.71 3.93 0.00 96.06 0.11 0.14 3.70 94.84 1.20 0.00 0.00 0.00 19 L H H 99.22 1.45 18.30 18.08 91.96 50.43 -64.70 -40.65 3.55 0.01 96.44 0.19 0.21 2.89 93.10 3.59 0.01 0.00 0.00 20 F H H 80.66 7.10 14.15 22.90 92.23 51.02 -65.72 -39.58 2.88 0.01 97.12 0.18 0.15 2.23 88.01 9.42 0.00 0.00 0.00 21 W H H 100.82 10.68 12.34 23.83 91.94 52.92 -65.44 -37.44 3.52 0.01 96.47 0.18 0.16 2.86 83.19 13.60 0.00 0.01 0.00 22 I H H 126.86 1.56 15.53 16.80 92.55 51.87 -70.88 -27.70 10.75 0.02 89.23 0.48 0.57 9.18 79.65 10.07 0.02 0.01 0.01 23 M H H 134.50 1.57 14.24 15.63 96.55 52.52 -90.78 -7.00 30.45 0.18 69.37 2.75 4.35 23.68 63.10 5.77 0.12 0.07 0.16 24 A C S 35.90 12.54 7.33 20.16 116.38 107.84 -77.70 141.39 98.04 0.59 1.37 32.66 63.70 1.69 1.13 0.24 0.00 0.18 0.39 25 P C C 85.90 3.43 12.86 17.52 111.06 -106.80 -66.87 144.57 96.80 0.95 2.25 83.26 7.90 5.77 0.89 1.15 0.00 0.46 0.58 26 K C C 144.90 3.65 10.68 16.24 107.50 -130.43 -84.92 130.36 87.91 1.79 10.31 54.90 17.47 15.45 3.60 6.45 0.00 0.73 1.38 27 N C C 121.20 1.68 13.04 15.16 108.40 51.66 -84.26 71.72 88.92 0.64 10.44 39.90 25.73 23.82 3.77 6.04 0.00 0.26 0.48 28 N C C 92.58 4.63 12.04 18.00 104.01 10.55 -92.64 66.23 87.92 0.52 11.56 66.21 7.92 14.18 6.48 4.61 0.00 0.24 0.37 29 Q H H 89.02 8.04 11.08 20.46 95.16 149.14 -67.71 -32.96 26.17 0.30 73.53 18.97 3.95 3.59 71.80 1.46 0.00 0.09 0.14 30 A H H 67.53 2.71 15.18 18.42 92.59 57.36 -64.11 -40.46 5.21 0.04 94.76 1.98 0.78 2.19 94.15 0.87 0.00 0.01 0.01 31 V H H 81.35 3.25 16.08 19.61 92.34 49.59 -65.35 -41.36 1.99 0.03 97.99 0.72 0.24 0.91 97.39 0.73 0.00 0.02 0.00 32 W H H 85.87 9.99 14.34 25.49 92.16 49.71 -64.84 -41.76 0.72 0.01 99.28 0.24 0.08 0.31 99.01 0.35 0.00 0.00 0.00 33 R H H 101.46 7.79 16.97 25.60 91.92 50.65 -64.18 -41.33 0.55 0.00 99.44 0.14 0.05 0.27 99.38 0.16 0.00 0.00 0.00 34 S H H 57.50 2.75 19.40 21.71 91.76 50.31 -64.53 -41.68 0.50 0.00 99.50 0.11 0.04 0.26 99.49 0.10 0.00 0.00 0.00 35 T H H 53.82 6.52 18.40 25.66 91.95 50.25 -65.01 -41.40 0.40 0.00 99.60 0.07 0.02 0.23 99.62 0.06 0.00 0.00 0.00 36 V H H 38.41 13.05 16.40 30.09 92.09 50.25 -64.42 -41.92 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 37 I H H 87.76 4.54 20.33 24.93 91.79 49.67 -64.56 -41.77 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.03 0.00 0.00 0.00 38 L H H 91.96 2.58 20.96 22.56 91.76 49.42 -64.64 -41.77 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 39 T H H 38.42 10.65 17.07 28.71 91.99 50.15 -64.84 -41.73 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 40 L H H 58.29 9.92 17.81 28.59 91.77 50.97 -63.33 -41.60 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 41 A H H 58.52 2.58 20.52 22.09 91.49 50.66 -63.84 -41.65 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 42 M H H 82.95 4.96 18.93 24.22 91.98 50.02 -65.19 -41.18 0.18 0.00 99.82 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 43 M H H 49.96 11.83 15.73 28.47 91.90 51.53 -64.34 -41.38 0.19 0.00 99.81 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 44 F H H 104.74 5.02 18.52 24.08 91.89 51.14 -64.42 -40.81 0.13 0.00 99.87 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 45 L H H 94.74 2.41 19.26 21.02 91.89 49.96 -65.12 -41.26 0.12 0.00 99.88 0.00 0.00 0.10 99.83 0.06 0.00 0.00 0.00 46 M H H 71.07 8.33 16.68 25.72 92.05 50.70 -64.95 -41.34 0.33 0.00 99.67 0.01 0.01 0.27 99.56 0.14 0.00 0.00 0.00 47 W H H 104.87 8.17 16.65 25.85 91.91 51.09 -64.43 -40.91 0.54 0.00 99.46 0.02 0.02 0.47 99.24 0.24 0.00 0.00 0.00 48 A H H 56.98 3.04 18.66 21.51 91.75 50.99 -64.01 -41.71 0.49 0.00 99.51 0.02 0.02 0.42 99.18 0.36 0.00 0.00 0.00 49 I H H 84.52 3.98 18.27 22.67 92.05 49.35 -65.20 -41.58 0.92 0.00 99.07 0.03 0.04 0.84 98.51 0.57 0.00 0.00 0.00 50 T H H 39.80 10.26 14.95 26.42 92.21 50.71 -64.42 -41.79 2.09 0.00 97.90 0.09 0.11 1.86 97.11 0.83 0.00 0.00 0.00 51 F H H 102.07 4.02 17.36 22.09 91.76 50.02 -64.62 -41.62 2.72 0.00 97.27 0.15 0.17 2.22 95.28 2.17 0.01 0.00 0.00 52 L H H 89.86 2.42 17.25 19.47 91.95 49.91 -64.74 -39.46 1.99 0.00 98.01 0.14 0.11 1.50 93.89 4.36 0.00 0.00 0.00 53 C H H 43.85 7.97 12.20 22.10 92.25 53.32 -66.11 -35.17 3.77 0.00 96.23 0.18 0.16 3.16 88.81 7.68 0.00 0.00 0.00 54 Q H H 102.97 5.57 13.34 20.11 92.74 53.66 -71.26 -29.59 12.94 0.01 87.05 0.39 0.49 11.97 80.48 6.64 0.01 0.00 0.01 55 L H H 119.77 1.71 13.97 15.49 96.01 49.29 -79.54 -23.54 21.22 0.07 78.71 1.06 2.57 17.72 74.94 3.55 0.08 0.02 0.06 56 H C C 102.52 3.80 10.18 15.86 110.92 41.69 -122.57 90.12 97.39 0.78 1.83 50.50 45.00 1.76 1.55 0.29 0.00 0.19 0.71 57 P C T 92.10 4.54 9.07 15.83 100.00 -172.17 -66.08 -13.38 88.04 0.54 11.42 24.31 11.54 52.38 1.70 9.48 0.00 0.29 0.29 58 L C T 138.11 1.15 10.91 12.30 96.36 63.35 -79.43 -10.71 85.83 1.58 12.59 12.25 19.44 54.35 1.91 10.38 0.01 0.89 0.78 59 V C S 98.10 3.49 9.54 14.56 107.15 67.39 -98.73 51.87 79.07 7.42 13.51 29.06 29.48 21.46 2.72 9.81 0.04 3.50 3.93 60 A C C 70.16 4.38 10.58 16.77 116.70 57.95 -104.08 129.24 94.12 3.85 2.03 51.68 40.87 2.08 1.00 0.95 0.00 2.11 1.30 61 P C C 76.28 7.25 9.58 18.47 114.52 -113.81 -68.22 146.33 90.42 3.03 6.55 74.69 9.53 6.09 2.15 4.47 0.00 1.89 1.19 62 R C C 166.04 2.51 11.91 16.04 114.78 -129.12 -92.10 135.13 85.78 5.64 8.58 61.87 15.41 7.92 3.06 5.78 0.00 2.85 3.10 63 R C C 152.11 4.74 9.15 15.67 111.32 -126.67 -85.76 125.88 84.88 4.60 10.52 64.47 11.12 8.40 3.03 8.15 0.00 2.62 2.21 64 S C C 75.82 3.92 10.01 15.66 109.82 -162.90 -94.57 118.06 87.11 1.19 11.70 36.72 21.65 28.33 2.12 9.99 0.00 0.59 0.59 65 D C C 115.22 1.74 11.87 14.40 102.58 44.22 -88.38 42.20 88.40 1.20 10.40 40.18 19.35 28.37 1.83 9.08 0.00 0.60 0.58 66 L C C 86.54 7.39 8.56 17.32 110.04 128.17 -87.33 113.62 90.46 1.92 7.62 64.99 19.67 5.35 2.73 4.95 0.00 0.78 1.55 67 R C C 122.65 4.51 10.40 16.60 116.33 -159.89 -96.31 135.63 94.35 0.58 5.08 78.96 13.73 1.93 3.08 1.63 0.00 0.22 0.46 68 P H G 91.97 3.18 10.32 15.07 95.70 -117.70 -61.31 -34.54 40.48 0.40 59.12 16.63 4.99 17.92 13.26 46.79 0.00 0.22 0.18 69 E H G 138.81 1.69 10.35 12.96 95.04 58.12 -70.23 -24.07 36.21 0.40 63.39 10.81 4.75 19.54 15.78 48.72 0.00 0.21 0.19 70 F H G 126.01 4.33 7.96 13.93 98.54 58.37 -83.94 -9.63 34.33 0.87 64.79 15.67 6.19 12.85 15.91 48.56 0.01 0.45 0.36 71 A C C 75.62 3.48 7.76 13.01 103.38 73.91 -84.13 7.71 64.37 1.09 34.55 50.84 3.18 12.41 12.81 19.58 0.00 0.58 0.61 72 E C C 139.57 2.35 10.59 14.40 107.75 94.20 -87.08 102.95 99.83 0.03 0.14 99.62 0.12 0.16 0.06 0.01 0.00 0.01 0.01