# 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 106.58 7.50 14.01 22.68 120.53 -163.79 -105.49 136.34 99.73 0.26 0.01 99.72 0.09 0.03 0.00 0.00 0.00 0.14 0.02 1 A C C 71.84 5.72 11.07 18.55 115.94 -140.49 -92.14 138.65 91.79 6.09 2.12 87.54 1.18 3.73 0.66 0.95 0.00 4.25 1.68 2 S C C 81.41 3.99 11.09 16.93 110.78 -136.17 -89.36 119.56 90.09 5.57 4.35 54.80 17.51 17.79 0.86 3.71 0.00 3.79 1.54 3 G C C 49.08 4.36 12.93 18.78 114.88 6.48 95.84 -10.13 90.91 3.42 5.68 44.00 26.61 20.26 0.83 5.22 0.00 2.03 1.04 4 S C C 71.20 5.79 14.51 21.58 112.89 -56.86 -88.50 127.12 89.92 4.21 5.87 50.28 26.91 12.64 0.95 5.37 0.00 2.70 1.14 5 S C C 54.25 12.55 13.57 26.13 108.87 -159.19 -89.70 108.03 87.21 8.99 3.80 64.17 16.17 6.65 0.72 3.38 0.00 7.69 1.22 6 K C C 111.02 7.26 20.82 28.79 119.79 118.43 -102.11 138.83 69.00 28.97 2.03 52.81 12.66 2.99 0.56 1.54 0.00 27.75 1.70 7 A E E 14.43 22.94 12.96 35.21 118.72 -131.42 -90.21 138.25 39.23 60.31 0.46 35.94 2.38 0.37 0.15 0.24 0.00 60.14 0.78 8 V E E 65.90 7.16 24.72 32.39 121.50 -159.82 -118.39 132.07 12.85 86.96 0.19 12.21 0.68 0.12 0.11 0.08 0.00 86.01 0.79 9 I E E 42.67 19.63 13.23 32.37 110.75 -133.68 -86.20 119.92 9.55 90.29 0.16 9.53 0.30 0.07 0.11 0.05 0.00 89.01 0.93 10 K E E 112.67 5.22 19.62 25.92 100.12 176.62 -89.94 -33.85 19.19 80.44 0.38 13.15 5.02 1.76 0.10 0.26 0.00 79.27 0.43 11 N E E 91.34 4.09 20.57 25.51 133.98 2.58 -151.51 145.04 39.30 60.31 0.39 20.10 16.15 4.37 0.05 0.36 0.00 58.46 0.51 12 A C E 35.02 19.99 10.42 28.44 131.88 -175.84 -140.53 145.43 54.14 45.26 0.60 43.04 7.55 2.92 0.12 0.52 0.00 44.54 1.31 13 D C C 117.37 1.44 20.97 21.11 100.79 -157.21 -102.23 33.54 82.47 17.20 0.32 40.27 37.23 5.14 0.06 0.32 0.00 16.00 0.97 14 M C S 37.83 17.54 8.36 24.94 126.97 106.90 -96.90 156.66 93.68 6.18 0.14 38.76 55.19 0.65 0.05 0.08 0.00 4.27 1.00 15 S C C 61.43 2.29 18.37 19.88 117.69 -100.20 -67.56 158.19 99.06 0.70 0.23 98.40 0.76 0.12 0.16 0.03 0.00 0.33 0.19 16 E H H 137.17 3.82 12.87 18.83 91.23 -107.14 -58.12 -38.37 2.30 0.00 97.69 0.44 0.39 1.23 97.38 0.56 0.00 0.00 0.00 17 E H H 137.55 1.28 18.10 18.31 91.52 52.87 -64.32 -39.96 1.52 0.00 98.47 0.23 0.15 0.99 97.89 0.73 0.00 0.00 0.00 18 M H H 45.54 13.02 16.05 29.74 92.16 47.83 -66.54 -40.24 0.82 0.00 99.17 0.21 0.08 0.44 98.55 0.73 0.00 0.00 0.00 19 Q H H 34.85 18.21 15.89 33.63 91.49 52.65 -62.46 -42.64 0.34 0.00 99.66 0.09 0.03 0.14 99.64 0.09 0.00 0.00 0.00 20 A H H 53.24 4.45 23.71 28.13 91.25 50.49 -63.44 -42.05 0.21 0.00 99.79 0.04 0.01 0.10 99.83 0.02 0.00 0.00 0.00 21 D H H 63.79 6.21 25.16 31.68 91.44 49.43 -64.55 -41.04 0.16 0.00 99.84 0.02 0.00 0.08 99.88 0.02 0.00 0.00 0.00 22 A H H 2.33 24.75 19.63 44.52 91.37 50.56 -63.75 -43.39 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 23 V H H 21.44 18.58 23.60 41.37 91.13 49.80 -62.97 -42.88 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 24 D H H 83.65 2.95 28.67 31.39 91.13 50.14 -63.31 -42.08 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 25 C H H 16.78 14.40 24.39 39.35 91.33 49.56 -63.66 -43.12 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 26 A H H 1.09 26.94 20.08 47.49 91.33 50.10 -63.53 -43.16 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 T H H 43.15 12.11 24.83 36.87 91.54 50.50 -63.32 -42.24 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 28 Q H H 90.45 3.11 27.24 29.64 91.38 49.68 -63.78 -42.17 0.27 0.00 99.73 0.02 0.01 0.20 99.71 0.07 0.00 0.00 0.00 29 A H H 6.79 17.47 18.34 36.92 91.33 50.42 -63.50 -42.27 0.76 0.00 99.23 0.05 0.03 0.57 99.04 0.32 0.00 0.00 0.00 30 L H H 19.56 21.00 15.43 36.11 91.40 52.78 -64.65 -35.48 2.82 0.00 97.18 0.18 0.12 2.27 93.21 4.22 0.00 0.00 0.00 31 E H H 132.40 2.75 20.64 23.80 91.59 53.24 -68.47 -29.73 14.65 0.01 85.34 0.31 0.42 14.37 80.55 4.32 0.01 0.00 0.01 32 K H H 129.20 3.25 18.75 22.33 95.54 46.52 -83.23 -26.02 27.90 0.03 72.07 0.76 1.42 25.76 69.25 2.75 0.02 0.01 0.03 33 Y C C 52.50 15.99 10.49 26.25 124.26 48.00 -124.21 138.41 86.24 0.53 13.24 65.10 10.25 9.11 13.69 1.19 0.00 0.15 0.52 34 N C C 119.18 3.65 17.76 22.62 98.52 -167.00 -92.01 -4.63 99.22 0.36 0.42 56.63 38.85 3.75 0.20 0.18 0.00 0.12 0.26 35 I C S 81.02 4.79 19.16 24.84 121.26 82.81 -108.30 140.70 97.78 1.36 0.87 36.28 60.73 0.68 0.72 0.12 0.00 0.24 1.23 36 E H H 72.55 16.94 13.42 29.61 93.04 -133.91 -60.63 -38.94 5.46 0.02 94.52 1.58 1.35 2.60 92.39 2.05 0.00 0.01 0.01 37 K H H 131.61 3.89 19.89 24.99 91.55 55.97 -63.78 -39.38 3.03 0.01 96.96 0.47 0.30 2.01 94.41 2.80 0.00 0.00 0.00 38 D H H 69.64 4.69 22.45 27.16 92.08 48.52 -67.21 -36.89 1.73 0.01 98.26 0.43 0.15 0.97 94.68 3.76 0.00 0.01 0.00 39 I H H 6.48 21.71 17.65 39.81 91.44 52.36 -63.47 -44.08 0.42 0.00 99.58 0.09 0.03 0.22 99.32 0.34 0.00 0.00 0.00 40 A H H 7.53 20.08 20.12 40.36 90.88 50.43 -62.69 -42.64 0.21 0.00 99.79 0.02 0.01 0.13 99.73 0.11 0.00 0.00 0.00 41 A H H 46.81 4.09 25.82 29.83 91.11 51.45 -62.96 -42.09 0.17 0.00 99.83 0.01 0.00 0.13 99.79 0.06 0.00 0.00 0.00 42 Y H H 70.78 8.85 24.55 34.01 91.74 49.77 -64.39 -42.53 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 43 I H H 2.62 25.67 18.41 44.50 91.55 49.51 -63.36 -43.68 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 K H H 70.05 15.78 21.20 35.70 91.60 51.43 -62.02 -42.91 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 45 K H H 119.75 2.33 24.81 25.94 91.74 49.27 -64.39 -41.93 0.19 0.00 99.81 0.01 0.00 0.14 99.81 0.04 0.00 0.00 0.00 46 E H H 55.57 8.48 21.00 30.52 92.06 48.16 -65.81 -41.96 0.64 0.00 99.36 0.03 0.02 0.50 99.38 0.08 0.00 0.00 0.00 47 F H H 10.08 20.87 14.20 35.45 92.06 49.26 -64.89 -42.16 1.33 0.00 98.66 0.12 0.11 0.93 98.61 0.23 0.00 0.00 0.00 48 D H H 59.24 9.87 15.50 26.35 91.99 52.63 -64.96 -36.87 1.72 0.00 98.28 0.23 0.10 1.18 97.84 0.64 0.00 0.00 0.00 49 R H H 168.42 1.36 18.01 18.56 92.67 51.48 -68.34 -35.26 3.55 0.00 96.44 0.14 0.17 3.20 95.46 1.02 0.00 0.00 0.00 50 K H H 113.03 5.53 15.85 22.47 98.00 41.00 -83.49 -35.44 6.05 0.01 93.94 0.19 0.41 5.41 93.32 0.66 0.01 0.00 0.00 51 H H H 66.97 12.46 12.15 24.97 105.36 25.29 -109.21 -14.60 18.38 0.12 81.50 2.35 6.27 10.51 80.12 0.58 0.04 0.02 0.11 52 N C C 95.51 3.79 18.04 22.15 114.09 -84.32 61.10 126.29 99.46 0.29 0.25 84.06 12.12 3.27 0.06 0.20 0.00 0.14 0.15 53 P C S 78.94 8.57 14.07 23.50 97.44 -85.37 -68.12 -13.36 99.50 0.22 0.28 8.88 50.68 39.91 0.02 0.32 0.00 0.15 0.05 54 T C T 78.11 5.42 19.44 25.47 99.85 65.42 -92.47 3.08 95.28 4.30 0.42 35.35 20.99 38.94 0.04 0.50 0.00 3.77 0.41 55 W C C 31.25 20.20 13.68 33.72 119.79 117.86 -89.33 141.54 65.89 34.05 0.06 58.59 6.03 0.25 0.01 0.06 0.00 34.30 0.76 56 H E E 66.31 11.06 25.87 37.09 123.14 -159.21 -114.64 136.95 14.38 85.59 0.03 13.14 0.84 0.05 0.01 0.01 0.00 85.58 0.38 57 C E E 8.58 24.11 18.88 42.96 124.12 -161.24 -118.78 135.89 2.95 97.03 0.02 2.65 0.17 0.02 0.00 0.01 0.00 97.04 0.11 58 I E E 29.98 13.88 25.52 39.87 119.87 -165.15 -115.48 128.12 1.58 98.40 0.01 1.51 0.05 0.01 0.01 0.00 0.00 98.21 0.21 59 V E E 22.20 19.53 19.59 38.82 122.06 -164.96 -115.68 132.31 9.56 90.37 0.07 8.59 0.67 0.09 0.03 0.03 0.00 90.16 0.44 60 G C E 19.38 11.91 19.85 32.18 138.33 90.08 141.20 -175.59 58.15 39.40 2.45 26.49 27.55 6.60 0.38 2.00 0.03 35.06 1.89 61 R C S 153.53 5.47 17.61 24.19 97.86 -86.67 -79.08 -21.53 81.56 7.85 10.59 9.17 38.48 35.22 1.03 8.83 0.04 5.48 1.76 62 N C T 111.39 3.00 17.23 20.69 111.53 33.50 -108.29 46.05 82.77 4.13 13.10 15.74 30.14 37.20 1.25 11.79 0.01 2.58 1.28 63 F C T 88.62 14.04 10.75 24.39 115.37 99.38 -99.01 127.39 72.39 11.20 16.42 23.41 19.53 31.16 2.82 12.66 0.11 7.00 3.31 64 G C C 45.95 5.62 15.58 22.57 116.79 -159.40 -125.07 152.03 77.45 13.36 9.19 30.88 18.03 30.23 1.86 6.96 0.04 9.78 2.23 65 S C C 63.46 9.14 12.87 22.96 119.34 -118.10 -114.59 143.83 68.42 18.27 13.30 41.44 16.31 12.06 3.18 9.87 0.05 14.62 2.47 66 Y C C 151.90 4.79 14.90 21.36 120.06 -154.16 -114.08 132.85 58.04 30.94 11.02 36.28 14.03 9.49 4.24 6.91 0.11 24.04 4.90 67 V C C 65.08 12.75 10.85 23.90 119.84 -167.87 -111.89 132.26 62.87 32.56 4.57 48.97 10.08 3.17 2.74 2.22 0.02 27.46 5.33 68 T C C 93.52 4.25 14.90 20.63 113.93 -170.04 -102.40 119.74 74.81 22.64 2.55 59.90 10.70 3.44 1.22 1.44 0.00 20.36 2.95 69 H C C 94.82 9.18 11.98 22.27 121.03 85.02 -115.13 140.47 79.97 17.26 2.77 55.96 18.61 5.60 1.08 1.84 0.00 13.42 3.49 70 E C C 122.27 5.09 14.94 21.48 110.76 -137.68 -88.62 123.06 88.40 9.24 2.37 63.18 19.27 6.04 0.71 1.73 0.00 7.03 2.03 71 T C C 55.21 11.86 12.18 24.53 118.86 -162.87 -101.81 142.58 89.79 5.61 4.60 52.34 26.32 11.43 0.73 4.07 0.00 3.78 1.33 72 K C S 131.37 5.24 17.84 23.96 98.54 -132.89 -78.81 -6.80 90.09 6.56 3.36 27.02 49.89 13.39 0.30 3.17 0.00 5.35 0.87 73 H C C 68.73 12.35 16.72 29.39 112.37 60.57 -108.22 93.39 69.48 27.67 2.86 41.11 20.37 8.09 0.24 2.71 0.00 26.58 0.92 74 F E E 44.26 17.32 17.06 34.16 127.10 83.36 -120.34 141.89 19.63 80.28 0.09 17.23 1.78 0.24 0.02 0.07 0.00 80.26 0.40 75 I E E 25.54 17.05 20.74 38.22 122.21 -161.31 -116.80 132.52 1.73 98.26 0.01 1.64 0.07 0.01 0.00 0.00 0.00 98.23 0.04 76 Y E E 70.35 14.31 22.20 36.41 121.41 -160.62 -111.72 132.00 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 77 F E E 29.87 17.92 19.09 37.29 128.32 -176.04 -127.81 143.52 0.16 99.84 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 78 Y E E 96.02 10.58 20.07 31.36 118.60 -149.73 -110.22 128.49 0.61 99.39 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.37 0.02 79 L E E 40.34 15.54 15.29 31.12 112.05 -176.85 -125.78 101.68 10.23 89.72 0.05 7.82 1.62 0.33 0.01 0.04 0.00 89.99 0.19 80 G C T 45.90 3.50 18.49 22.51 110.38 -57.83 61.54 -128.89 99.13 0.59 0.28 0.80 14.63 83.77 0.01 0.29 0.00 0.44 0.06 81 Q C T 113.48 6.79 17.72 25.45 96.52 -16.70 -92.82 -0.21 99.56 0.24 0.20 0.70 13.24 85.64 0.00 0.21 0.00 0.18 0.03 82 V E E 23.77 17.89 16.91 35.14 122.20 91.03 -105.98 135.36 6.21 93.75 0.03 4.33 1.38 0.19 0.00 0.02 0.00 93.95 0.12 83 A E E 13.61 16.94 22.68 39.99 120.81 -158.14 -111.16 132.31 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 84 I E E 7.05 22.81 23.60 46.24 121.00 -165.26 -117.68 128.47 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 85 L E E 11.46 19.80 27.03 46.47 116.30 -157.79 -104.73 124.74 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 86 L E E 7.00 23.30 24.60 47.47 118.75 -164.48 -110.61 127.02 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 87 F E E 20.29 18.83 23.39 41.83 130.15 -174.48 -125.66 147.09 1.17 98.83 0.00 1.04 0.05 0.00 0.00 0.00 0.00 98.86 0.04 88 K E E 66.74 14.32 20.47 34.51 120.86 -146.58 -104.77 136.29 16.56 83.41 0.03 14.89 1.09 0.12 0.00 0.02 0.00 83.23 0.64 89 S C C 42.91 13.40 15.50 28.84 117.89 -162.25 -107.70 147.51 84.72 15.22 0.06 82.50 0.88 0.46 0.01 0.04 0.00 15.64 0.47 90 G C C 49.38 4.41 18.40 23.41 107.17 -46.41 81.26 -3.00 99.92 0.08 0.01 99.68 0.19 0.07 0.00 0.00 0.00 0.05 0.01