# 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 106.56 7.02 13.96 22.26 120.76 -166.92 -103.38 134.70 99.88 0.12 0.00 99.85 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 S C C 57.73 7.57 13.25 22.04 117.28 -125.31 -84.87 146.45 94.72 4.92 0.37 92.18 1.02 1.88 0.08 0.20 0.00 3.75 0.89 2 R C C 114.09 9.72 14.63 25.14 110.11 -148.48 -98.98 94.95 82.62 16.89 0.48 56.86 22.63 3.19 0.09 0.48 0.00 14.72 2.02 3 V E B 64.13 8.62 18.38 27.97 124.37 68.40 -116.04 140.24 18.31 81.48 0.21 14.56 1.48 0.05 0.19 0.03 0.00 14.55 69.14 4 C C C 11.55 19.32 11.31 31.27 110.91 -113.87 -70.90 130.77 87.03 12.90 0.07 88.48 0.67 0.09 0.03 0.02 0.00 7.46 3.25 5 Q C T 112.02 4.69 19.06 24.89 92.75 -144.83 -69.16 -26.15 99.67 0.17 0.15 0.40 4.35 94.99 0.01 0.10 0.00 0.10 0.05 6 V C T 65.93 10.14 16.43 27.06 100.75 42.31 -85.41 -41.22 99.82 0.07 0.11 0.07 2.01 97.82 0.00 0.05 0.00 0.03 0.02 7 T C T 57.29 7.92 15.20 24.52 102.17 18.31 -107.22 -13.89 99.81 0.06 0.13 0.23 2.79 96.86 0.01 0.07 0.00 0.03 0.02 8 G C C 44.35 4.75 16.08 22.21 95.59 -121.23 79.76 6.42 98.56 1.33 0.12 78.84 16.54 3.17 0.03 0.09 0.00 0.68 0.65 9 K C C 92.74 7.07 13.96 22.87 119.18 135.47 -80.97 147.53 83.31 16.59 0.10 73.73 8.63 0.19 0.05 0.05 0.00 5.08 12.27 10 R C C 142.55 4.94 16.77 23.32 119.07 -126.85 -96.97 139.66 64.27 35.64 0.08 58.77 5.68 0.14 0.05 0.04 0.00 20.46 14.85 11 P C C 51.17 15.12 11.10 25.96 115.64 -107.64 -68.07 147.85 80.05 19.91 0.04 73.51 5.82 0.21 0.01 0.03 0.00 19.68 0.73 12 V E E 83.25 6.29 16.55 24.10 119.86 -146.16 -111.45 136.85 22.54 77.39 0.07 19.77 2.38 0.18 0.03 0.05 0.00 74.50 3.10 13 T E E 84.10 7.09 12.80 21.80 125.19 -159.41 -120.47 142.40 9.34 90.60 0.05 8.61 0.65 0.08 0.02 0.03 0.00 89.49 1.12 14 G E E 32.81 6.22 13.14 21.14 136.32 160.33 -153.64 173.84 13.35 86.53 0.13 11.59 1.50 0.20 0.04 0.07 0.00 85.83 0.76 15 N E E 105.04 4.11 12.49 18.51 122.35 -96.40 -113.53 141.60 21.95 77.74 0.31 18.60 2.95 0.51 0.10 0.18 0.00 76.65 1.00 16 N E E 86.39 6.95 10.20 18.82 120.37 -162.14 -111.35 139.27 37.13 61.88 0.99 29.18 6.97 1.71 0.31 0.60 0.00 59.98 1.23 17 R E E 158.81 2.63 10.58 15.03 117.14 -148.79 -104.07 130.47 44.59 52.77 2.64 34.93 7.96 2.52 1.31 1.43 0.02 48.90 2.92 18 S C C 53.96 5.69 7.45 14.94 123.19 -165.80 -107.16 160.75 62.75 33.46 3.79 51.14 7.19 3.68 1.51 2.17 0.00 31.74 2.56 19 H C T 170.13 0.76 8.80 9.77 95.89 -108.37 -69.91 -19.88 76.09 9.30 14.60 27.17 19.55 31.01 3.32 10.04 0.03 7.37 1.52 20 A C T 89.33 1.09 8.32 9.84 101.25 54.47 -88.43 4.11 84.52 2.22 13.26 27.31 19.62 38.26 2.84 9.83 0.00 1.44 0.69 21 L C C 132.32 1.85 8.67 11.87 101.56 -101.54 18.37 46.56 80.96 6.66 12.37 33.13 22.57 26.52 2.50 9.20 0.01 4.61 1.45 22 N C C 104.08 2.43 8.98 13.08 116.73 145.47 -91.39 137.02 72.97 23.93 3.10 46.52 11.21 15.25 0.73 2.30 0.00 21.89 2.10 23 A C E 74.19 4.78 8.83 15.53 117.95 -143.87 -98.40 137.76 51.02 47.66 1.31 41.53 6.81 2.31 0.42 0.95 0.00 45.22 2.76 24 T E E 74.78 4.30 11.46 17.58 122.34 -160.78 -113.16 143.89 41.06 58.45 0.49 33.34 6.03 1.19 0.13 0.35 0.00 57.82 1.14 25 K E E 131.61 4.87 11.64 18.61 117.25 -130.25 -92.49 133.15 30.92 68.92 0.15 26.90 2.51 0.36 0.04 0.10 0.00 69.59 0.50 26 R E E 106.19 7.93 12.61 22.24 126.58 -175.20 -123.99 144.21 13.65 86.32 0.03 12.53 0.71 0.06 0.01 0.02 0.00 86.34 0.34 27 R E E 128.72 6.60 15.10 23.39 118.50 -140.58 -104.40 132.43 4.31 95.68 0.01 4.12 0.17 0.01 0.00 0.00 0.00 95.29 0.39 28 F E E 60.72 13.00 13.59 27.58 123.18 -169.06 -115.38 137.79 7.69 92.29 0.02 7.44 0.33 0.02 0.01 0.01 0.00 89.02 3.17 29 L C C 79.28 7.63 18.45 27.11 115.85 -142.61 -101.01 124.98 76.70 23.14 0.15 72.36 2.96 0.27 0.02 0.15 0.00 23.84 0.41 30 P C C 40.91 14.14 15.41 29.77 112.47 -125.10 -69.84 151.14 82.02 16.85 1.13 36.32 24.91 20.06 0.06 1.50 0.00 16.69 0.47 31 N C C 70.18 9.03 18.96 28.49 101.19 -20.69 -71.69 55.56 67.50 31.25 1.25 33.93 15.16 17.58 0.07 1.59 0.00 30.96 0.71 32 L E E 48.41 14.86 14.38 29.65 116.57 132.66 -91.13 131.14 21.94 78.02 0.04 20.18 1.41 0.08 0.01 0.03 0.00 77.56 0.73 33 H E E 69.01 9.95 17.87 28.98 126.11 -170.00 -120.49 142.44 3.88 96.12 0.01 3.47 0.23 0.02 0.00 0.00 0.00 96.16 0.12 34 S E E 54.92 10.09 16.32 27.32 122.78 -146.33 -111.13 138.64 1.80 98.20 0.00 1.55 0.09 0.00 0.00 0.00 0.00 98.33 0.02 35 H E E 50.18 12.01 14.79 28.31 131.75 -175.38 -135.83 149.97 0.82 99.18 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.23 0.01 36 R E E 128.59 6.29 16.96 24.79 118.36 -132.36 -103.55 131.26 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 37 F E E 42.75 13.29 13.30 27.95 130.72 -173.79 -132.16 151.35 0.25 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 38 W E E 125.42 5.02 15.98 22.50 115.09 -128.32 -94.69 128.23 0.45 99.55 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 39 V E E 27.42 11.38 9.54 22.97 111.54 -155.40 -101.25 116.39 4.79 95.20 0.01 4.23 0.29 0.03 0.00 0.01 0.00 95.26 0.18 40 E C T 133.30 2.48 11.78 15.78 94.65 -156.80 -65.45 -33.78 88.03 0.44 11.53 0.56 2.76 83.97 0.20 12.15 0.00 0.27 0.08 41 S C T 94.48 0.73 11.75 11.78 93.91 49.37 -70.24 -33.20 88.03 0.16 11.81 0.44 2.29 84.33 0.20 12.60 0.00 0.08 0.05 42 E C T 110.58 3.10 10.25 14.71 100.10 31.92 -100.94 -1.99 88.79 0.10 11.12 0.62 2.49 83.77 0.18 12.85 0.00 0.05 0.03 43 K C T 161.47 1.86 11.78 15.11 94.72 -130.51 55.46 38.60 99.63 0.12 0.25 3.38 2.41 93.90 0.04 0.16 0.00 0.09 0.01 44 R E E 121.16 3.38 13.20 18.37 130.15 120.70 -127.73 154.04 7.54 92.45 0.01 6.12 0.87 0.08 0.00 0.01 0.00 92.75 0.17 45 F E E 115.29 7.81 12.50 21.86 117.14 -120.38 -91.53 135.32 0.61 99.39 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.01 46 V E E 41.97 11.34 14.14 27.19 125.58 -170.47 -123.23 139.86 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 47 T E E 73.28 8.46 17.50 27.14 118.86 -143.72 -104.86 132.03 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 L E E 25.34 17.02 15.94 33.48 128.98 -175.52 -127.22 145.42 0.58 99.42 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 49 R E E 105.68 9.35 23.19 32.92 117.10 -134.63 -95.16 130.68 0.45 99.55 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 50 V E E 9.19 22.24 16.75 38.90 133.58 177.93 -131.87 153.41 1.12 98.88 0.00 1.07 0.02 0.00 0.00 0.00 0.00 98.86 0.05 51 S E E 20.13 11.76 20.23 33.28 118.65 -106.90 -71.42 156.34 18.58 81.41 0.01 18.87 0.28 0.01 0.00 0.00 0.00 80.47 0.37 52 A H H 48.50 9.66 19.59 30.23 91.73 -112.16 -59.40 -37.20 3.54 0.02 96.44 0.27 0.37 2.86 94.61 1.86 0.01 0.01 0.00 53 K H H 116.14 3.37 24.43 27.73 91.66 54.00 -63.88 -39.81 1.69 0.01 98.30 0.09 0.10 1.48 96.45 1.87 0.00 0.00 0.00 54 G H H 5.17 19.12 17.72 37.31 91.61 50.73 -64.68 -41.42 1.19 0.00 98.81 0.13 0.09 0.88 96.32 2.58 0.00 0.00 0.00 55 M H H 31.80 18.38 18.53 36.35 91.53 51.84 -63.27 -41.86 1.59 0.01 98.39 0.28 0.13 1.02 97.25 1.30 0.00 0.01 0.00 56 R H H 124.43 2.94 24.02 26.15 91.68 50.74 -63.89 -41.21 7.31 0.07 92.61 0.74 0.43 6.02 91.74 0.98 0.02 0.05 0.02 57 V H H 38.04 7.98 19.34 28.97 91.74 49.75 -64.57 -42.35 8.76 0.19 91.05 1.23 0.81 6.69 90.18 0.89 0.03 0.10 0.05 58 I H H 12.86 20.85 13.18 33.96 91.74 50.34 -64.11 -42.29 6.46 0.23 93.30 2.26 1.24 2.90 92.64 0.75 0.02 0.11 0.08 59 D H H 85.02 7.10 17.11 25.20 92.70 49.29 -66.46 -38.44 7.43 0.14 92.43 1.97 0.92 4.42 91.38 1.14 0.05 0.07 0.04 60 K H H 153.23 0.98 18.24 17.44 96.58 41.37 -76.47 -38.10 9.85 0.06 90.08 0.90 1.11 7.62 89.33 0.96 0.04 0.02 0.03 61 K H H 113.98 4.28 15.81 20.94 101.15 25.79 -104.09 -10.98 16.65 0.17 83.19 1.87 4.19 10.91 82.15 0.67 0.06 0.05 0.10 62 G C C 17.96 6.45 18.63 27.03 125.71 -118.94 90.05 167.09 86.66 0.49 12.85 78.31 3.00 3.77 13.72 0.77 0.00 0.17 0.26 63 I H H 32.14 20.43 13.36 33.32 91.76 -85.12 -59.61 -38.44 2.49 0.01 97.50 0.75 0.36 1.08 97.45 0.35 0.00 0.00 0.00 64 D H H 98.23 3.41 20.91 25.13 91.42 54.01 -63.33 -39.14 1.20 0.01 98.79 0.29 0.11 0.67 98.61 0.32 0.00 0.00 0.00 65 T H H 62.70 4.06 21.41 25.47 91.99 49.15 -65.72 -40.88 0.45 0.00 99.54 0.12 0.03 0.23 99.39 0.22 0.00 0.00 0.00 66 V H H 10.95 18.58 16.68 35.84 91.78 50.07 -64.09 -43.72 0.17 0.00 99.83 0.04 0.01 0.08 99.84 0.04 0.00 0.00 0.00 67 L H H 34.46 14.86 18.55 33.68 91.59 49.32 -63.83 -42.32 0.12 0.00 99.88 0.02 0.00 0.06 99.89 0.02 0.00 0.00 0.00 68 A H H 52.39 2.73 21.58 23.58 91.19 50.29 -63.06 -42.00 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 69 E H H 78.24 5.54 19.25 25.69 91.88 49.53 -65.00 -41.09 0.39 0.00 99.61 0.04 0.02 0.24 99.65 0.05 0.00 0.00 0.00 70 L H H 18.58 15.19 12.79 29.15 91.74 50.62 -64.17 -41.66 1.03 0.01 98.96 0.17 0.07 0.63 98.94 0.18 0.00 0.00 0.00 71 R H H 134.15 4.32 15.09 20.78 91.65 50.94 -63.93 -40.12 2.39 0.01 97.60 0.34 0.15 1.64 97.34 0.51 0.00 0.01 0.00 72 A H H 83.38 1.47 13.97 15.48 91.11 53.20 -66.33 -29.14 10.59 0.04 89.37 0.55 0.50 9.34 88.96 0.60 0.01 0.01 0.02 73 R C T 138.08 3.65 11.75 16.87 93.88 49.93 -88.32 -0.14 73.57 0.07 26.36 0.93 1.99 68.37 27.78 0.85 0.00 0.02 0.05 74 G C T 60.89 1.08 13.48 14.35 97.10 -106.90 80.71 11.25 97.55 0.10 2.35 4.44 4.34 89.01 1.75 0.37 0.00 0.05 0.04 75 E C C 86.79 8.05 8.35 17.95 115.74 140.21 -86.58 137.81 97.28 0.90 1.82 85.02 8.58 3.83 0.83 0.81 0.00 0.47 0.45 76 K C C 154.27 2.00 13.50 16.65 113.50 -138.43 -94.12 128.23 96.33 2.13 1.54 90.73 2.57 3.36 0.61 0.62 0.00 1.21 0.90 77 Y C C 106.19 11.78 11.57 23.42 118.50 -153.90 -107.44 139.22 99.87 0.11 0.01 99.82 0.08 0.03 0.00 0.00 0.00 0.06 0.01