# 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 124.14 4.06 10.42 16.43 115.98 -158.21 -96.93 136.30 99.92 0.07 0.01 99.85 0.08 0.02 0.00 0.00 0.00 0.03 0.01 1 S C C 80.74 2.86 8.83 13.56 115.65 -143.47 -92.65 142.21 92.16 2.54 5.30 87.67 0.96 4.65 2.43 1.76 0.00 1.32 1.21 2 S C C 85.02 2.54 7.72 12.06 110.97 -140.14 -91.51 117.60 85.00 3.53 11.46 57.07 15.01 13.05 5.92 5.34 0.00 1.91 1.69 3 T C C 102.30 2.34 8.29 12.25 109.04 -147.59 -92.05 103.80 77.37 3.28 19.36 49.75 16.49 11.27 11.55 7.68 0.01 1.79 1.46 4 Q C C 124.93 3.04 8.70 13.48 108.78 -149.68 -87.35 109.75 70.97 2.87 26.16 46.55 13.56 10.83 17.12 9.13 0.01 1.61 1.19 5 D C C 103.12 3.13 9.11 13.89 108.73 61.09 -87.85 105.03 71.34 2.77 25.89 50.69 10.11 10.28 17.81 8.37 0.00 1.59 1.14 6 R C C 160.38 3.08 9.06 13.79 104.42 66.95 -86.79 15.34 67.27 3.34 29.39 44.50 11.87 10.87 20.68 8.85 0.02 1.76 1.47 7 S C C 78.06 3.31 9.25 14.24 107.40 88.88 -88.18 63.87 70.35 2.94 26.71 42.79 14.58 13.15 18.46 8.19 0.02 1.51 1.31 8 Q C C 133.69 2.18 9.80 13.35 108.20 62.09 -90.29 90.18 77.64 2.80 19.56 47.75 15.89 14.13 13.01 6.46 0.01 1.42 1.33 9 L C C 102.36 5.07 8.22 15.07 113.44 86.82 -92.23 126.99 87.68 2.26 10.06 53.78 25.51 8.54 6.58 3.18 0.00 0.91 1.49 10 D C C 86.82 3.45 9.97 15.11 112.71 -138.59 -92.03 123.43 97.49 0.74 1.77 79.84 15.78 1.92 1.06 0.61 0.00 0.30 0.49 11 P C T 98.05 3.88 8.54 14.37 95.17 -140.22 -64.97 -23.95 68.16 0.74 31.10 27.43 8.21 32.60 8.33 22.61 0.00 0.38 0.44 12 E C T 152.88 1.20 10.42 11.84 95.86 60.95 -76.73 -15.47 65.55 0.78 33.67 14.86 10.90 39.84 10.01 23.43 0.02 0.38 0.56 13 E C C 132.55 2.45 9.65 13.36 101.33 56.85 -88.87 3.11 62.10 1.53 36.36 25.43 16.64 20.97 11.14 24.12 0.02 0.69 0.99 14 Q C C 104.78 5.01 8.53 15.38 112.86 94.10 -90.78 125.92 74.47 1.54 23.98 45.27 23.09 6.86 15.94 7.33 0.00 0.61 0.90 15 P C C 96.45 3.30 10.07 15.02 106.57 -127.11 -73.38 119.70 69.46 2.73 27.82 51.64 8.08 9.48 18.18 9.89 0.00 1.62 1.11 16 V C C 105.90 3.56 9.60 14.80 110.93 -132.57 -90.51 123.72 64.54 6.41 29.05 45.05 9.07 10.13 18.89 10.41 0.02 3.92 2.53 17 A C C 74.40 4.30 9.27 15.38 112.67 -123.70 -86.79 135.41 70.36 6.26 23.38 47.73 10.98 11.23 16.14 7.70 0.02 3.98 2.22 18 N C C 112.33 3.30 9.78 14.89 111.87 -146.38 -97.09 121.78 76.95 5.65 17.40 47.86 16.72 12.54 11.62 5.85 0.02 3.51 1.88 19 T C C 92.98 3.93 9.24 14.96 111.50 136.16 -100.16 114.30 77.32 6.65 16.04 50.93 19.11 7.45 11.82 4.55 0.02 4.07 2.06 20 E C C 134.17 2.83 9.85 14.32 112.70 -154.41 -89.86 126.91 72.58 7.16 20.26 52.14 13.85 6.41 15.28 5.51 0.01 4.89 1.92 21 V C C 103.06 4.21 8.68 14.60 110.71 -143.63 -91.62 115.74 68.09 8.13 23.78 50.33 10.01 7.21 16.24 8.14 0.01 5.94 2.13 22 E C C 126.47 3.51 10.12 15.41 114.30 -150.09 -92.91 129.13 70.04 9.32 20.64 54.40 8.63 6.42 13.51 7.63 0.01 7.27 2.12 23 R C C 155.35 3.60 10.53 16.01 115.42 -145.56 -95.58 129.64 70.98 11.35 17.67 56.04 8.14 6.03 11.99 6.26 0.02 8.40 3.12 24 H C C 111.20 6.46 8.22 16.23 114.14 -155.99 -98.47 118.38 82.02 8.21 9.76 67.68 7.93 5.78 6.82 3.29 0.00 5.79 2.70 25 T C C 105.22 2.20 10.77 14.37 110.70 -163.81 -96.10 112.80 90.45 3.39 6.16 52.07 15.65 23.28 3.06 2.71 0.00 2.13 1.11 26 G C C 61.98 1.35 12.29 13.83 101.98 -27.10 81.97 1.89 95.16 1.89 2.95 41.89 27.46 26.21 0.84 1.89 0.00 1.09 0.61 27 V C C 74.48 7.20 7.99 16.83 116.93 120.18 -96.03 135.37 92.72 5.53 1.74 68.70 21.47 2.48 0.87 0.85 0.00 2.58 3.05 28 D C C 88.47 3.27 12.60 17.09 110.83 -132.28 -87.73 122.32 94.89 3.42 1.69 89.29 4.51 1.36 0.81 0.68 0.00 1.85 1.50 29 V C G 87.16 8.01 8.97 18.14 96.73 -152.63 -71.32 -19.50 49.44 1.95 48.61 17.78 7.45 24.42 3.71 44.87 0.00 1.17 0.60 30 E C G 147.05 1.60 12.31 14.52 97.05 67.68 -72.87 -20.40 52.94 1.12 45.94 5.49 7.50 38.82 2.87 44.25 0.01 0.71 0.36 31 D C G 106.27 2.49 12.36 15.77 99.46 47.61 -90.67 -0.26 50.81 1.58 47.61 10.53 9.19 31.50 3.22 44.08 0.00 0.94 0.53 32 V C C 54.17 10.14 8.65 19.94 114.24 88.76 -102.74 115.02 93.68 2.04 4.28 48.59 43.76 1.52 3.33 0.82 0.00 0.63 1.33 33 P C C 74.43 4.12 14.25 19.63 108.81 -125.81 -67.73 145.48 76.50 1.67 21.84 62.47 5.09 9.47 10.58 10.62 0.00 0.85 0.92 34 S C C 55.06 8.58 11.35 21.04 96.80 -119.97 -68.54 -26.52 54.33 2.45 43.22 33.90 7.96 12.90 15.22 27.55 0.01 1.24 1.22 35 A H G 57.71 6.51 11.90 19.86 97.55 71.41 -72.40 -28.60 32.48 1.94 65.58 13.13 6.71 14.36 17.55 46.42 0.03 1.15 0.65 36 E H G 130.37 3.23 13.28 17.61 95.54 63.51 -72.73 -20.99 32.02 2.43 65.55 8.95 6.47 17.59 17.38 47.19 0.07 1.65 0.70 37 W C G 139.08 6.19 11.78 19.28 99.39 50.17 -90.77 1.70 49.79 2.59 47.62 9.03 11.24 29.81 13.05 33.66 0.26 1.31 1.65 38 G C T 43.20 5.47 14.48 21.14 101.45 -100.14 82.14 3.40 87.37 2.43 10.19 18.64 20.07 49.00 3.05 6.71 0.01 1.26 1.27 39 W C C 130.03 7.93 13.11 21.95 103.22 89.47 -88.65 1.28 78.90 6.66 14.44 32.91 20.34 26.53 3.78 9.76 0.04 2.94 3.71 40 S C C 44.86 10.75 11.59 23.07 111.16 73.23 -98.33 107.93 79.35 7.35 13.30 43.79 17.22 18.83 4.20 8.54 0.03 3.57 3.83 41 H C C 142.71 3.32 15.76 20.08 100.00 -144.73 -83.26 15.06 85.08 3.49 11.43 42.45 26.86 16.45 4.82 6.00 0.02 1.64 1.77 42 M C S 78.36 8.76 11.74 21.98 119.84 114.08 -94.03 146.45 88.32 2.68 8.99 40.69 42.70 5.15 7.00 1.84 0.01 0.94 1.68 43 P C C 79.67 4.04 15.90 20.79 112.07 -102.02 -69.48 141.73 88.47 1.17 10.36 75.99 7.93 3.51 10.41 1.04 0.00 0.45 0.66 44 I H H 81.08 10.59 12.05 23.50 94.63 -123.89 -62.35 -34.43 20.99 0.27 78.74 9.75 3.84 8.16 76.36 1.63 0.01 0.11 0.13 45 G H H 37.51 4.81 15.47 21.21 93.44 56.45 -63.69 -40.84 12.88 0.15 86.97 4.18 2.02 7.00 85.05 1.60 0.02 0.06 0.07 46 V H H 80.12 3.14 17.10 20.42 92.75 50.20 -66.19 -40.58 3.84 0.05 96.11 1.53 0.52 1.82 94.98 1.10 0.00 0.03 0.02 47 M H H 67.19 9.71 15.12 25.79 92.51 50.65 -65.27 -41.45 1.37 0.03 98.61 0.58 0.15 0.59 98.20 0.46 0.00 0.01 0.00 48 H H H 77.08 10.15 16.36 27.08 92.24 50.21 -64.62 -41.78 0.97 0.03 99.01 0.35 0.10 0.46 98.81 0.26 0.00 0.01 0.00 49 I H H 95.18 2.76 20.12 22.28 92.05 49.20 -64.47 -42.21 0.47 0.00 99.53 0.11 0.04 0.24 99.49 0.11 0.00 0.00 0.00 50 G H H 31.96 4.35 19.51 24.29 91.56 49.93 -64.15 -41.94 0.36 0.00 99.64 0.06 0.02 0.20 99.65 0.07 0.00 0.00 0.00 51 G H H 15.71 12.67 15.97 29.83 91.79 51.28 -63.91 -41.95 0.35 0.00 99.64 0.05 0.02 0.22 99.66 0.05 0.00 0.00 0.00 52 L H H 79.17 6.41 19.65 26.45 91.78 49.58 -64.11 -41.88 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 53 L H H 95.49 2.12 22.06 22.71 91.84 48.99 -64.50 -42.34 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 54 S H H 38.03 7.83 18.71 27.66 91.64 49.95 -64.40 -41.91 0.06 0.00 99.94 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 55 A H H 29.18 11.99 16.80 29.80 91.51 50.99 -62.88 -42.07 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 56 A H H 59.51 3.23 20.75 23.62 91.43 50.82 -63.87 -42.05 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 57 F H H 107.49 3.53 20.28 23.59 91.51 49.89 -64.54 -41.85 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 58 L H H 40.31 13.31 16.03 30.02 91.70 50.63 -64.13 -41.93 0.11 0.00 99.89 0.00 0.00 0.08 99.86 0.05 0.00 0.00 0.00 59 L H H 71.99 8.06 17.70 26.72 91.45 50.85 -63.79 -40.94 0.36 0.00 99.64 0.01 0.01 0.31 99.34 0.32 0.00 0.00 0.00 60 V H H 88.47 2.40 19.05 20.84 91.88 51.10 -65.20 -39.41 1.57 0.00 98.43 0.07 0.07 1.39 97.03 1.43 0.00 0.00 0.00 61 M H H 76.08 8.54 15.51 25.08 92.70 52.73 -69.84 -29.29 7.24 0.03 92.73 0.54 0.50 6.20 89.25 3.46 0.03 0.02 0.01 62 M H H 67.80 12.98 13.20 26.35 94.82 59.87 -73.47 -22.15 21.39 0.23 78.38 2.52 2.20 16.88 74.41 3.63 0.12 0.11 0.13 63 R H H 152.88 3.15 15.79 19.84 103.08 63.13 -87.93 5.89 41.55 1.37 57.08 9.56 9.17 25.15 51.01 3.48 0.25 0.57 0.80 64 G C C 43.76 4.26 14.30 19.66 117.84 70.13 -93.93 -173.35 81.27 2.55 16.18 34.65 21.62 25.38 13.09 2.85 0.02 1.10 1.29 65 N C C 112.21 3.46 14.42 18.86 107.16 -55.44 -90.59 99.55 89.80 3.93 6.27 57.16 18.19 14.62 3.44 2.63 0.00 2.09 1.87 66 H C C 81.95 11.29 9.39 21.24 115.43 135.03 -96.32 129.27 89.17 6.95 3.89 73.18 9.94 5.39 2.12 1.73 0.00 3.45 4.19 67 V C C 110.08 2.75 14.32 18.37 114.36 -164.31 -99.40 129.63 88.52 6.07 5.41 36.50 22.63 30.65 2.51 2.30 0.01 2.98 2.41 68 G C S 41.76 5.34 14.20 20.67 116.79 12.05 80.74 3.54 91.77 1.75 6.48 19.38 39.08 34.32 3.11 2.46 0.01 0.81 0.84 69 H C C 116.45 5.98 13.55 20.62 101.86 -106.11 -70.61 -23.02 62.83 3.00 34.18 32.31 26.51 5.70 30.41 2.43 0.04 0.92 1.68 70 V H H 89.87 3.02 16.52 19.90 93.46 60.43 -65.46 -38.73 12.61 0.22 87.17 4.58 2.33 6.33 82.51 4.00 0.03 0.12 0.09 71 E H H 65.35 8.80 15.49 25.71 92.24 52.06 -66.13 -38.89 8.10 0.16 91.73 3.19 1.05 4.06 87.74 3.79 0.01 0.11 0.05 72 D H H 38.95 13.12 14.65 28.48 92.04 53.04 -63.64 -40.99 2.03 0.02 97.94 0.88 0.26 0.87 96.24 1.72 0.00 0.01 0.00 73 W H H 142.78 3.55 19.99 23.38 91.98 51.10 -64.52 -41.55 0.41 0.00 99.59 0.10 0.04 0.22 99.38 0.26 0.00 0.00 0.00 74 F H H 106.51 3.83 20.64 24.51 91.86 49.32 -64.74 -42.25 0.20 0.00 99.80 0.03 0.01 0.12 99.71 0.12 0.00 0.00 0.00 75 L H H 34.09 14.52 16.96 31.98 91.86 49.77 -64.21 -42.73 0.14 0.00 99.86 0.02 0.01 0.10 99.82 0.06 0.00 0.00 0.00 76 I H H 64.92 10.24 19.37 30.08 91.62 49.29 -63.38 -42.24 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 77 G H H 36.58 2.77 22.08 23.92 91.44 49.98 -63.34 -42.73 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 78 F H H 87.32 6.26 21.54 28.36 91.70 48.07 -64.98 -41.92 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 79 A H H 15.37 15.86 16.67 33.23 91.49 51.03 -63.23 -42.29 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 A H H 51.61 5.50 21.25 26.97 91.36 50.28 -63.95 -41.41 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 81 V H H 81.98 2.59 22.42 23.92 91.48 49.83 -64.22 -42.58 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 82 I H H 49.96 10.63 18.70 30.22 91.68 49.23 -64.40 -42.49 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.01 0.00 0.00 0.00 83 V H H 50.19 11.17 18.12 29.97 91.60 49.70 -63.27 -42.35 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 84 A H H 59.36 2.89 20.87 22.98 91.51 50.07 -63.61 -42.01 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 85 L H H 79.12 4.21 19.94 24.44 91.78 49.04 -64.65 -42.12 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 86 V H H 38.83 11.47 16.57 29.18 91.82 49.13 -64.57 -41.64 0.67 0.00 99.33 0.03 0.02 0.54 99.32 0.09 0.00 0.00 0.00 87 G H H 30.24 5.72 18.14 24.78 91.66 50.36 -64.15 -41.96 1.85 0.00 98.15 0.12 0.09 1.44 98.14 0.20 0.00 0.00 0.00 88 R H H 125.30 2.56 19.02 21.13 91.95 49.94 -65.09 -41.19 1.35 0.00 98.65 0.15 0.09 0.94 98.49 0.32 0.00 0.00 0.00 89 N H H 57.53 6.81 16.10 24.44 92.45 49.99 -65.77 -39.98 2.05 0.01 97.95 0.30 0.14 1.41 97.60 0.53 0.00 0.00 0.00 90 W H H 100.24 6.69 15.66 23.69 91.99 50.99 -64.49 -41.44 1.72 0.01 98.27 0.26 0.13 1.17 97.69 0.73 0.00 0.01 0.00 91 W H H 128.94 3.06 15.90 19.34 91.96 50.22 -64.76 -41.42 1.90 0.02 98.08 0.35 0.21 1.23 97.21 0.98 0.00 0.01 0.01 92 L H H 81.94 3.40 14.16 18.74 92.46 50.24 -65.90 -39.51 4.54 0.05 95.40 0.85 0.49 3.09 93.76 1.76 0.01 0.03 0.02 93 R H H 125.82 4.34 12.80 18.48 93.10 50.62 -68.41 -35.36 10.46 0.08 89.46 1.47 1.05 7.80 87.24 2.34 0.03 0.04 0.04 94 R H H 141.44 3.29 12.00 16.28 95.30 51.69 -76.50 -28.98 20.10 0.21 79.69 3.21 2.77 14.57 76.60 2.56 0.07 0.09 0.12 95 R H H 153.07 2.37 11.47 14.79 99.76 54.46 -85.26 -6.27 47.67 1.05 51.28 11.65 11.15 27.01 43.88 5.04 0.18 0.42 0.66 96 G C T 48.05 3.14 10.65 15.27 104.44 -118.80 40.21 -11.77 69.16 0.86 29.99 17.34 11.33 40.99 17.51 11.82 0.02 0.41 0.58 97 W C T 168.31 3.65 9.04 14.32 101.87 54.77 -83.77 -0.20 71.18 2.18 26.65 28.84 13.58 30.19 12.51 12.65 0.02 1.07 1.15 98 I C C 111.54 3.90 8.36 14.10 110.12 92.60 -90.21 112.22 79.77 2.82 17.41 63.09 4.87 12.67 9.76 6.50 0.00 1.47 1.64 99 R C C 165.19 2.80 11.26 15.75 109.30 -141.40 -86.51 115.84 99.87 0.07 0.06 99.71 0.11 0.11 0.02 0.00 0.00 0.04 0.01