# 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 81.86 11.28 12.92 24.66 117.85 -156.04 -95.84 137.98 99.94 0.04 0.01 99.86 0.08 0.02 0.01 0.00 0.00 0.02 0.01 1 E C C 109.35 4.45 17.55 22.63 111.60 -126.31 -83.74 129.01 89.63 1.27 9.10 89.54 0.63 1.74 5.25 1.65 0.00 0.43 0.76 2 L H G 50.82 17.80 12.38 29.29 93.97 -129.01 -62.41 -30.87 17.80 0.67 81.52 6.42 2.69 8.86 17.98 63.44 0.00 0.50 0.11 3 L H G 73.59 11.79 15.92 28.09 92.03 63.74 -69.27 -21.91 13.81 0.55 85.64 3.55 1.96 8.07 20.09 65.83 0.00 0.43 0.08 4 D H G 80.34 6.26 20.36 27.15 94.40 63.05 -80.04 -9.44 15.45 0.91 83.64 5.28 2.86 7.59 18.67 64.77 0.00 0.70 0.13 5 V H G 24.32 18.48 16.71 34.96 100.28 71.26 -83.85 -17.35 38.78 18.03 43.19 14.72 11.80 14.76 19.00 22.53 0.79 12.66 3.74 6 I E E 22.41 21.53 14.76 36.02 111.86 85.02 -89.97 118.86 26.32 68.32 5.36 20.15 4.78 1.51 4.84 1.66 0.04 41.44 25.57 7 K C E 104.41 8.37 20.84 29.60 99.73 -177.14 -91.16 -28.21 51.94 46.54 1.52 37.43 13.58 1.57 1.07 0.66 0.01 42.84 2.83 8 R C E 120.28 6.32 22.44 29.51 129.75 6.52 -143.33 138.56 60.24 39.63 0.13 26.61 33.81 0.70 0.04 0.10 0.00 37.85 0.89 9 P C C 42.83 18.36 16.46 33.90 115.05 -107.82 -67.72 147.28 69.47 30.34 0.19 65.95 2.59 0.36 0.06 0.12 0.00 29.17 1.74 10 V C C 39.33 14.81 20.01 34.94 111.73 -134.46 -94.70 120.44 71.95 27.79 0.26 63.65 8.15 0.55 0.15 0.16 0.00 16.76 10.57 11 I C C 53.68 16.91 16.01 32.46 116.85 -158.93 -106.27 122.82 90.77 9.08 0.15 82.74 8.34 0.28 0.08 0.07 0.00 6.07 2.40 12 T C C 45.98 7.79 16.65 25.88 132.13 167.39 -120.63 173.82 96.88 2.61 0.51 82.90 13.89 0.32 0.48 0.09 0.00 1.12 1.19 13 E H H 143.30 2.00 16.63 19.10 90.75 -96.01 -59.19 -37.41 7.78 0.08 92.14 1.42 2.07 4.76 89.86 1.77 0.04 0.03 0.04 14 K H H 118.13 4.24 17.91 22.87 92.04 52.52 -65.42 -39.20 6.50 0.08 93.42 1.13 0.90 4.61 90.74 2.51 0.04 0.05 0.03 15 S H H 10.27 19.37 12.30 31.58 92.26 50.41 -66.09 -39.98 4.25 0.15 95.60 1.71 0.65 2.12 92.25 3.10 0.01 0.11 0.03 16 M H H 79.30 7.22 17.87 26.10 91.95 53.02 -63.72 -41.14 2.82 0.13 97.05 1.29 0.44 1.22 94.97 1.95 0.01 0.09 0.02 17 L H H 89.88 2.06 19.92 20.78 92.00 50.78 -64.61 -40.83 4.23 0.28 95.50 1.49 0.62 2.39 93.25 1.98 0.02 0.19 0.06 18 A H H 18.97 11.82 13.66 27.25 92.24 51.09 -65.63 -39.70 6.28 0.36 93.36 2.30 0.86 3.47 90.72 2.28 0.03 0.25 0.08 19 M H H 64.13 14.05 12.64 26.59 92.82 53.34 -65.39 -39.91 8.44 0.21 91.36 2.49 0.99 5.16 87.36 3.76 0.03 0.15 0.06 20 D H H 115.90 1.41 16.39 17.29 92.07 53.42 -67.09 -28.65 17.09 0.19 82.73 2.00 1.51 13.81 79.31 3.11 0.07 0.09 0.10 21 E C T 121.81 2.65 15.17 18.25 95.20 48.20 -89.92 0.80 80.37 0.08 19.54 1.41 4.35 74.22 17.55 2.35 0.00 0.03 0.09 22 K C T 128.06 7.30 15.48 24.08 95.18 -116.27 61.04 34.58 99.30 0.07 0.64 3.96 3.71 91.84 0.25 0.18 0.00 0.04 0.02 23 K C C 75.13 11.29 17.58 29.49 125.01 136.31 -108.71 144.41 75.81 24.11 0.08 68.65 5.87 0.32 0.02 0.06 0.00 24.15 0.92 24 Y E E 36.06 18.34 19.00 37.13 117.64 -130.19 -95.87 134.76 25.76 74.22 0.03 24.72 0.65 0.05 0.00 0.01 0.00 74.24 0.32 25 T E E 25.43 16.18 22.97 39.04 129.30 -169.37 -125.54 143.83 4.57 95.42 0.00 4.54 0.08 0.00 0.00 0.00 0.00 95.30 0.08 26 F E E 12.14 22.47 20.33 42.47 129.65 -172.34 -130.62 142.42 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 27 E E E 69.57 11.08 26.34 37.75 116.13 -138.97 -100.96 127.82 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 28 V E E 7.29 24.06 15.66 39.85 131.73 -174.32 -130.73 149.46 3.13 96.87 0.00 3.16 0.04 0.00 0.00 0.00 0.00 96.64 0.16 29 D C C 52.72 8.43 22.83 32.01 109.64 -106.89 -72.70 128.91 55.52 44.45 0.03 55.53 0.51 0.04 0.00 0.03 0.00 43.46 0.43 30 T C T 55.89 15.41 15.48 30.92 91.76 -138.13 -65.44 -21.00 98.53 0.72 0.74 0.75 4.72 93.21 0.02 0.72 0.00 0.48 0.08 31 R C T 165.15 2.05 21.45 23.21 93.64 60.48 -87.76 -1.65 99.04 0.33 0.64 0.83 4.02 94.22 0.02 0.66 0.00 0.22 0.04 32 A C C 10.62 21.16 9.85 30.81 116.46 120.84 -69.07 141.97 98.79 0.99 0.22 73.22 25.41 0.28 0.07 0.14 0.00 0.38 0.51 33 N C C 77.16 3.73 24.31 27.14 125.98 -140.71 -97.07 166.29 94.38 5.44 0.18 93.51 0.71 0.05 0.12 0.02 0.00 0.72 4.87 34 K H H 89.53 15.52 14.67 29.60 91.14 -103.24 -58.71 -37.88 1.78 0.00 98.22 0.21 0.23 1.08 98.32 0.15 0.00 0.00 0.00 35 T H H 86.34 2.31 22.48 23.85 91.65 52.96 -64.15 -40.82 0.92 0.00 99.08 0.08 0.07 0.65 99.08 0.12 0.00 0.00 0.00 36 L H H 52.84 9.72 20.57 31.09 92.02 49.32 -65.40 -41.16 0.20 0.00 99.80 0.03 0.01 0.12 99.77 0.07 0.00 0.00 0.00 37 V H H 1.44 27.22 15.56 43.73 91.11 49.75 -63.45 -43.60 0.05 0.00 99.95 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 38 K H H 76.38 14.31 22.14 35.37 91.34 51.31 -61.98 -42.31 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 39 Q H H 102.56 2.54 26.59 28.10 91.72 49.47 -64.54 -41.72 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 40 A H H 9.47 16.30 21.11 38.07 91.67 50.08 -64.19 -42.95 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 41 V H H 1.73 26.88 17.41 44.95 91.68 48.58 -64.37 -43.34 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 42 E H H 79.63 10.79 20.25 31.07 91.87 50.94 -63.49 -41.66 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 43 S H H 72.21 2.89 22.60 25.04 92.49 48.91 -67.21 -39.11 0.28 0.00 99.72 0.01 0.01 0.25 99.66 0.07 0.00 0.00 0.00 44 A H H 24.46 16.58 17.33 33.48 96.52 42.38 -79.17 -37.76 1.42 0.00 98.58 0.02 0.04 1.36 98.49 0.08 0.00 0.00 0.00 45 F H H 25.84 19.74 14.81 34.37 107.08 24.53 -115.24 1.83 14.97 0.05 84.99 0.92 2.20 11.28 85.26 0.26 0.03 0.01 0.04 46 D C T 115.96 2.03 21.68 23.46 94.63 -123.81 56.52 44.79 99.72 0.10 0.18 23.89 12.73 63.16 0.06 0.08 0.00 0.06 0.02 47 V C C 17.76 20.32 11.40 31.60 129.24 135.24 -121.05 149.37 94.90 5.06 0.03 78.98 15.70 0.23 0.01 0.02 0.00 4.71 0.34 48 K C C 125.58 3.10 24.51 27.34 113.30 -127.49 -90.27 127.62 86.21 13.78 0.01 85.73 0.84 0.05 0.00 0.01 0.00 13.13 0.24 49 V E E 21.75 23.17 10.85 33.34 112.42 -141.56 -85.93 123.97 20.17 79.80 0.03 21.15 0.24 0.02 0.01 0.02 0.00 77.63 0.94 50 A E E 59.34 4.63 21.16 26.29 98.12 -172.95 -84.85 -36.27 18.65 81.32 0.03 10.23 8.33 0.21 0.00 0.03 0.00 81.10 0.10 51 N E E 75.85 4.64 23.37 28.77 139.01 -1.69 -154.45 149.61 3.10 96.89 0.01 2.32 0.41 0.03 0.00 0.00 0.00 97.20 0.03 52 V E E 33.39 22.76 11.81 33.35 125.37 -164.13 -131.07 132.09 1.24 98.76 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.83 0.02 53 N E E 68.99 5.80 24.12 30.12 125.21 -173.19 -125.15 139.72 1.33 98.67 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.83 0.01 54 I E E 57.26 18.30 13.95 31.53 122.15 -156.63 -116.91 131.75 1.13 98.87 0.00 1.05 0.02 0.00 0.00 0.00 0.00 98.91 0.02 55 L E E 64.84 8.15 18.64 28.10 125.20 -173.40 -124.35 139.71 0.85 99.15 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.18 0.04 56 N E E 81.07 9.50 15.51 26.16 116.61 -145.75 -101.79 126.57 3.05 96.95 0.00 2.57 0.24 0.01 0.00 0.00 0.00 97.09 0.09 57 V E E 49.96 11.32 13.05 25.81 121.06 -169.17 -114.73 136.79 23.03 76.95 0.03 21.27 1.07 0.07 0.00 0.02 0.00 76.59 0.98 58 R C C 160.29 2.63 16.78 20.35 114.49 -126.15 -86.40 132.74 62.40 37.55 0.05 56.98 2.85 0.22 0.01 0.04 0.00 39.53 0.38 59 P C C 55.58 13.48 8.95 22.35 115.91 -111.20 -69.03 148.74 65.32 34.58 0.10 58.29 4.44 0.51 0.01 0.09 0.00 36.15 0.50 60 K E E 128.16 2.98 14.95 19.10 121.38 -143.38 -109.17 143.28 22.64 77.25 0.11 20.62 1.63 0.22 0.03 0.07 0.00 76.35 1.08 61 F E E 131.76 5.69 9.93 17.65 116.53 -123.93 -91.67 134.28 11.57 88.38 0.05 10.76 0.58 0.09 0.01 0.02 0.00 88.10 0.44 62 K E E 110.80 4.44 10.44 17.03 123.22 -170.79 -120.19 142.60 6.44 93.50 0.06 5.63 0.57 0.13 0.02 0.03 0.00 93.40 0.23 63 R E E 166.89 2.29 8.55 12.93 116.06 -132.86 -96.75 128.81 10.21 89.71 0.07 8.68 0.97 0.20 0.02 0.04 0.00 89.62 0.46 64 M E E 122.97 2.52 7.68 12.15 114.93 -176.64 -124.05 109.24 29.25 70.40 0.34 23.22 4.40 1.50 0.08 0.27 0.00 69.64 0.88 65 G C T 65.90 0.34 10.33 9.27 109.87 -49.64 64.66 -130.17 97.76 1.61 0.64 13.33 23.42 60.92 0.06 0.68 0.00 1.41 0.18 66 K C T 184.93 0.33 9.21 8.41 96.88 -20.16 -88.50 -4.05 97.74 1.55 0.72 12.74 24.30 60.54 0.06 0.79 0.00 1.38 0.18 67 Y E E 144.88 2.76 8.45 13.25 121.48 82.65 -108.02 139.88 25.31 74.45 0.24 18.49 6.60 1.68 0.05 0.21 0.00 71.41 1.57 68 A E E 71.82 4.41 9.24 16.00 123.62 -163.74 -116.02 143.74 14.58 85.36 0.06 12.23 1.48 0.29 0.01 0.04 0.00 85.42 0.51 69 G E E 31.46 4.44 13.87 19.99 138.03 143.21 -167.06 -175.65 10.41 89.54 0.05 8.15 1.77 0.32 0.01 0.03 0.00 89.42 0.29 70 Y E E 134.16 6.39 12.12 20.38 123.19 -92.18 -111.14 142.99 10.89 89.07 0.04 9.80 0.72 0.10 0.02 0.03 0.00 86.66 2.69 71 T C C 52.91 9.52 11.49 22.51 123.91 -161.15 -112.74 149.19 56.35 43.57 0.09 52.19 2.59 0.24 0.02 0.07 0.00 44.01 0.88 72 K C C 135.94 4.11 15.68 21.13 111.08 -110.57 -79.92 130.85 74.44 25.47 0.08 60.34 11.18 0.74 0.01 0.09 0.00 27.20 0.44 73 K C C 91.90 10.26 13.71 24.72 118.88 -134.93 -97.27 137.01 71.40 28.52 0.08 60.52 8.13 0.64 0.01 0.09 0.00 30.09 0.51 74 R E E 90.88 11.41 16.27 28.30 126.27 -162.01 -120.30 145.66 15.43 84.55 0.02 14.01 0.95 0.06 0.01 0.01 0.00 84.21 0.75 75 R E E 54.59 14.99 17.44 32.87 125.41 -156.09 -119.20 140.39 2.76 97.24 0.00 2.53 0.12 0.00 0.00 0.00 0.00 97.25 0.10 76 K E E 64.23 12.77 21.95 34.81 125.49 -155.17 -118.37 140.46 1.99 98.01 0.00 1.69 0.12 0.00 0.00 0.00 0.00 98.16 0.03 77 A E E 6.98 21.89 17.78 40.18 123.67 -159.62 -116.44 139.49 1.00 99.00 0.00 0.97 0.01 0.00 0.00 0.00 0.00 99.01 0.01 78 I E E 40.57 11.10 25.28 37.42 117.30 -153.72 -108.74 125.83 0.39 99.61 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 79 V E E 6.05 24.18 18.30 43.07 121.12 -167.70 -115.36 130.74 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.01 80 T E E 45.25 9.54 26.57 36.74 121.61 -162.85 -111.90 135.53 1.96 98.04 0.00 1.92 0.05 0.00 0.00 0.00 0.00 97.94 0.09 81 L E E 12.87 22.72 14.00 36.79 118.66 -140.67 -89.86 139.20 21.74 78.20 0.06 20.93 0.73 0.07 0.02 0.04 0.00 77.16 1.04 82 T C C 46.44 7.88 18.44 27.52 119.07 -125.83 -80.77 159.82 84.36 14.84 0.79 77.34 5.40 0.97 0.20 0.54 0.00 14.62 0.93 83 E C T 134.32 4.26 15.34 21.24 94.84 -103.21 -63.15 -30.56 75.42 1.74 22.84 12.94 17.38 45.82 6.63 15.33 0.03 1.08 0.79 84 D C T 112.28 1.83 16.87 18.58 95.54 54.50 -80.68 -4.39 75.98 1.20 22.82 19.00 12.58 44.43 7.53 15.16 0.01 0.68 0.62 85 S C C 24.14 17.95 9.68 26.66 106.00 94.91 -81.82 78.50 69.15 3.27 27.58 53.73 8.76 6.98 9.66 17.87 0.00 2.01 1.00 86 K C C 123.92 6.30 17.11 24.38 99.89 139.88 -88.02 -14.07 68.46 6.81 24.73 48.58 13.26 7.15 14.97 9.67 0.03 4.78 1.55 87 E C C 113.39 5.57 19.17 25.54 114.56 53.49 -97.73 129.82 57.51 18.17 24.32 46.06 6.38 5.01 15.47 8.67 0.04 15.96 2.40 88 I C C 31.78 20.10 11.68 30.82 116.49 -161.18 -102.30 125.65 62.17 20.46 17.38 54.82 4.25 2.48 13.63 3.81 0.01 18.64 2.35 89 Q C C 101.09 5.64 20.38 26.58 111.68 -151.46 -92.70 118.12 67.00 17.59 15.41 61.02 3.00 2.43 12.20 3.08 0.01 16.51 1.76 90 L C C 56.08 15.85 14.04 29.19 100.76 -163.31 -78.81 -26.88 61.30 11.39 27.31 42.72 9.83 8.83 18.86 8.53 0.07 9.48 1.68 91 F C C 94.58 10.24 13.76 24.56 105.63 52.00 -91.25 21.03 60.75 9.57 29.69 37.14 12.28 12.08 19.31 10.01 0.11 7.21 1.85 92 E C C 119.12 4.59 13.91 19.83 106.66 88.88 -86.60 53.70 64.81 7.27 27.92 41.57 11.77 11.90 17.57 10.21 0.04 5.23 1.71 93 A C C 59.05 8.88 9.51 19.25 108.00 117.07 -86.01 96.88 72.84 5.58 21.58 45.29 14.32 13.64 14.37 7.07 0.02 3.71 1.57 94 A C C 75.06 4.21 9.89 15.89 108.98 -146.95 -87.80 116.21 86.09 3.18 10.73 75.71 2.17 9.03 7.17 2.71 0.00 2.14 1.07 95 E C C 140.85 2.90 12.61 17.06 107.91 -113.37 -83.13 115.46 99.82 0.12 0.06 99.67 0.12 0.10 0.03 0.00 0.00 0.07 0.01