# 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 121.65 4.84 13.50 19.91 113.93 -140.41 -90.95 128.95 99.90 0.08 0.02 99.80 0.10 0.05 0.01 0.00 0.00 0.03 0.01 1 K C C 106.86 8.49 11.52 21.23 118.82 -148.66 -96.89 137.91 96.13 2.03 1.84 94.23 1.12 1.07 1.35 0.29 0.00 0.65 1.28 2 T C C 61.54 5.68 17.01 23.68 121.62 -145.04 -96.26 154.99 94.06 1.06 4.88 83.94 8.32 1.55 4.35 0.72 0.00 0.40 0.73 3 A H H 34.90 16.39 13.20 29.67 91.82 -110.21 -60.01 -32.32 17.31 0.34 82.34 3.40 2.30 10.39 45.40 38.16 0.03 0.21 0.11 4 Y H H 108.56 11.22 17.30 28.89 91.37 62.69 -69.58 -22.84 13.64 0.32 86.04 2.04 1.58 8.79 48.02 39.25 0.03 0.21 0.08 5 D H H 66.97 8.58 20.06 29.36 93.35 64.32 -75.29 -20.81 13.38 0.62 86.00 3.30 2.18 7.20 46.60 40.14 0.03 0.42 0.13 6 V H H 25.49 19.14 17.58 36.13 99.74 54.61 -88.87 -20.18 31.53 8.43 60.04 8.25 7.86 17.25 41.19 16.32 1.24 5.95 1.93 7 I E E 28.56 20.22 17.70 37.46 113.65 87.67 -93.86 123.50 26.92 59.96 13.12 15.69 7.86 5.00 12.54 2.86 0.40 37.85 17.80 8 L E E 62.07 13.74 20.56 33.96 111.85 -159.79 -97.37 115.97 43.10 52.72 4.18 31.78 8.56 2.40 3.77 1.27 0.05 44.85 7.33 9 A C C 47.47 12.19 21.27 33.32 128.03 2.87 -129.56 141.17 61.68 38.18 0.14 49.42 11.08 0.32 0.06 0.09 0.00 38.01 1.02 10 P C C 44.44 16.79 17.51 33.72 115.23 -105.69 -67.47 147.26 68.82 30.96 0.23 64.06 3.39 0.44 0.09 0.14 0.00 30.30 1.58 11 V C C 52.61 13.35 19.65 33.10 111.57 -133.83 -90.70 122.56 66.99 32.68 0.34 59.86 6.53 0.61 0.20 0.19 0.00 20.62 11.99 12 L C C 58.88 16.22 14.82 30.64 118.83 -156.98 -107.79 126.81 87.65 12.11 0.24 80.17 7.33 0.41 0.14 0.12 0.00 8.56 3.27 13 S C C 40.20 7.21 16.06 24.69 130.99 -159.64 -113.95 175.09 96.14 3.08 0.78 78.99 16.96 0.45 0.77 0.14 0.00 1.43 1.25 14 E H H 148.90 1.60 15.79 17.64 91.07 -96.06 -59.80 -36.91 8.55 0.07 91.37 1.39 2.50 5.17 88.98 1.83 0.05 0.03 0.04 15 K H H 130.49 2.77 17.52 20.76 91.84 51.67 -64.87 -39.71 7.23 0.08 92.69 1.05 1.07 5.34 89.58 2.83 0.05 0.04 0.03 16 A H H 10.84 19.37 11.80 30.92 92.41 50.22 -65.72 -41.13 5.11 0.12 94.77 1.58 0.77 2.98 90.86 3.67 0.02 0.08 0.03 17 Y H H 109.91 7.51 17.67 25.99 92.00 52.00 -63.39 -41.33 3.77 0.09 96.14 1.34 0.61 1.95 93.61 2.40 0.01 0.06 0.02 18 A H H 62.69 1.77 20.22 20.31 92.08 50.50 -64.44 -40.39 7.87 0.15 91.98 1.56 0.96 5.56 89.26 2.46 0.05 0.10 0.05 19 G H H 12.73 11.46 14.08 27.29 92.27 50.89 -65.69 -39.29 11.12 0.20 88.68 2.35 1.31 7.71 85.22 3.17 0.05 0.12 0.07 20 F H H 71.87 14.94 12.50 27.06 92.48 54.08 -64.37 -40.43 7.23 0.14 92.63 1.80 0.88 4.46 83.95 8.74 0.03 0.10 0.04 21 A H H 88.13 1.55 16.28 17.82 90.90 55.77 -65.99 -26.90 16.43 0.17 83.40 1.59 1.29 13.11 74.28 9.48 0.08 0.10 0.07 22 E C T 129.63 2.15 16.02 18.24 93.38 52.49 -86.96 -0.17 71.43 0.07 28.50 0.74 1.98 70.72 19.89 6.58 0.01 0.03 0.06 23 G C T 40.34 7.38 15.74 24.37 95.30 -106.36 81.17 14.46 99.76 0.02 0.22 1.61 2.08 96.18 0.05 0.06 0.00 0.01 0.01 24 K C C 68.74 12.12 17.37 30.08 124.60 132.52 -102.63 147.60 71.56 28.40 0.03 67.77 3.43 0.13 0.01 0.03 0.00 27.65 0.97 25 Y E E 30.84 18.63 19.57 38.20 116.26 -124.98 -90.76 135.02 18.14 81.85 0.01 18.05 0.31 0.01 0.00 0.00 0.00 81.30 0.32 26 T E E 19.72 17.35 23.66 40.78 127.44 -166.40 -121.51 141.90 4.14 95.86 0.00 4.20 0.05 0.00 0.00 0.00 0.00 95.70 0.06 27 F E E 8.46 23.53 21.42 44.67 128.64 -171.24 -127.39 142.78 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 28 W E E 76.16 12.42 26.68 39.45 116.23 -142.59 -102.75 125.02 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 29 V E E 6.71 23.95 16.51 40.61 130.73 -174.87 -126.13 150.25 2.60 97.40 0.00 2.58 0.05 0.00 0.00 0.00 0.00 97.12 0.25 30 H C C 65.15 8.79 22.59 32.18 111.44 -104.54 -69.54 134.39 92.87 7.12 0.01 93.07 0.31 0.02 0.00 0.01 0.00 6.46 0.14 31 P C T 60.45 14.28 15.34 29.94 90.95 -129.32 -62.36 -24.41 98.78 0.43 0.79 0.44 3.15 95.27 0.01 0.82 0.00 0.27 0.05 32 K C T 151.20 1.66 21.29 22.30 93.33 60.12 -88.29 -1.88 98.99 0.24 0.77 0.47 2.63 95.85 0.01 0.86 0.00 0.16 0.02 33 A C C 9.82 21.23 9.60 30.65 116.67 122.40 -68.51 142.99 99.10 0.76 0.13 76.49 22.50 0.18 0.04 0.08 0.00 0.28 0.43 34 T C C 64.44 3.65 24.24 26.94 125.99 -138.79 -93.39 166.24 93.72 6.14 0.14 93.14 0.56 0.04 0.09 0.01 0.00 0.63 5.52 35 K H H 86.17 15.67 14.72 29.87 91.07 -103.95 -58.37 -38.80 1.08 0.00 98.92 0.13 0.13 0.62 99.03 0.09 0.00 0.00 0.00 36 T H H 84.88 2.56 22.20 24.06 91.73 52.71 -64.14 -40.80 0.42 0.00 99.58 0.03 0.03 0.28 99.58 0.07 0.00 0.00 0.00 37 E H H 66.96 9.37 20.91 30.87 92.02 49.01 -65.40 -40.72 0.10 0.00 99.90 0.01 0.01 0.06 99.87 0.05 0.00 0.00 0.00 38 I H H 1.66 27.12 15.90 43.92 91.05 49.47 -63.60 -43.72 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 39 K H H 73.29 14.79 22.16 35.81 91.25 51.31 -61.77 -42.40 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 40 N H H 88.75 2.84 26.76 28.82 91.78 49.31 -65.07 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 41 A H H 8.90 16.11 21.29 38.20 91.83 50.53 -64.28 -43.24 0.09 0.00 99.91 0.00 0.00 0.05 99.94 0.00 0.00 0.00 0.00 42 V H H 1.66 26.77 17.95 45.29 91.50 48.56 -64.56 -43.06 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 E H H 67.74 11.51 20.04 31.71 91.87 51.18 -63.64 -41.91 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 44 T H H 86.59 2.99 22.75 25.37 92.46 48.45 -66.28 -40.64 0.24 0.00 99.76 0.01 0.01 0.22 99.71 0.05 0.00 0.00 0.00 45 A H H 24.07 16.41 17.57 33.64 94.99 44.65 -73.48 -39.38 1.19 0.00 98.81 0.02 0.04 1.14 98.73 0.07 0.00 0.00 0.00 46 F H H 24.00 19.63 15.05 34.82 101.59 25.68 -106.18 -1.96 15.59 0.04 84.37 0.73 1.59 12.57 84.80 0.25 0.02 0.01 0.03 47 K C T 153.89 2.12 21.59 23.67 94.42 -125.04 57.53 42.21 99.77 0.07 0.17 17.18 9.78 72.86 0.07 0.05 0.00 0.04 0.02 48 V C C 16.31 20.62 11.77 32.31 129.60 135.43 -122.48 151.15 94.47 5.51 0.02 75.19 19.09 0.21 0.01 0.01 0.00 5.22 0.26 49 K C C 121.09 3.23 24.89 27.93 113.15 -126.09 -90.97 128.23 81.73 18.26 0.01 81.39 0.65 0.03 0.00 0.01 0.00 17.74 0.18 50 V E E 19.06 23.36 11.28 34.23 111.48 -138.25 -84.95 122.41 13.22 86.76 0.01 14.42 0.12 0.01 0.00 0.01 0.00 84.63 0.81 51 V E E 78.00 4.77 21.55 26.84 99.50 177.80 -91.01 -34.56 13.86 86.12 0.02 8.27 5.57 0.14 0.00 0.01 0.00 85.93 0.08 52 K E E 97.31 4.48 23.91 29.13 138.30 -1.15 -154.38 149.50 2.48 97.52 0.00 1.59 0.59 0.04 0.00 0.00 0.00 97.76 0.02 53 V E E 26.96 23.38 12.20 34.58 125.26 -165.35 -131.56 131.14 1.15 98.85 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.92 0.01 54 N E E 66.97 6.03 25.05 31.23 127.08 -174.50 -125.26 142.89 1.76 98.24 0.00 1.46 0.10 0.00 0.00 0.00 0.00 98.43 0.01 55 T E E 40.86 20.03 13.69 32.58 125.38 -159.28 -120.06 137.42 2.13 97.87 0.00 2.03 0.04 0.00 0.00 0.00 0.00 97.89 0.04 56 L E E 64.21 8.21 19.76 29.10 126.06 -170.12 -124.86 140.30 1.26 98.74 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.68 0.10 57 H E E 99.31 10.03 16.05 27.09 116.30 -140.40 -100.07 125.94 3.55 96.44 0.00 3.16 0.20 0.00 0.00 0.00 0.00 96.53 0.11 58 V E E 47.61 11.50 13.16 26.12 122.54 -171.06 -115.91 138.03 20.67 79.31 0.02 19.83 0.60 0.04 0.00 0.01 0.00 78.89 0.63 59 R C E 163.43 2.49 17.52 20.76 112.55 -122.25 -80.82 131.73 52.82 47.11 0.08 46.25 4.24 0.45 0.01 0.07 0.00 48.52 0.46 60 G C C 26.87 13.07 9.82 22.75 125.97 -129.56 -88.30 166.10 56.29 43.62 0.09 45.40 8.74 0.92 0.01 0.09 0.00 44.16 0.67 61 K E E 122.52 3.40 15.62 20.15 122.69 -113.05 -113.98 146.82 19.80 80.14 0.06 18.38 1.19 0.12 0.02 0.04 0.00 79.07 1.19 62 K E E 131.57 5.16 11.37 18.66 114.45 -114.55 -80.98 133.54 11.81 88.16 0.03 11.27 0.41 0.05 0.01 0.01 0.00 87.88 0.37 63 K E E 97.40 5.89 10.31 18.24 125.78 -172.02 -123.98 147.07 6.50 93.46 0.03 5.81 0.53 0.09 0.01 0.01 0.00 93.37 0.19 64 R E E 164.87 2.31 9.06 13.38 115.85 -130.97 -97.35 128.10 7.14 92.83 0.04 6.33 0.47 0.08 0.01 0.02 0.00 92.52 0.58 65 L E E 104.51 3.28 7.72 13.01 114.99 -176.79 -124.07 106.13 25.12 74.72 0.16 21.18 2.56 0.61 0.04 0.12 0.00 74.73 0.77 66 G C T 64.93 0.42 10.48 9.79 109.22 -51.58 63.66 -125.19 98.48 1.15 0.37 10.77 21.04 66.60 0.03 0.41 0.00 1.03 0.13 67 R C T 207.86 0.33 9.31 8.47 96.64 -17.16 -89.28 -2.81 98.70 0.92 0.38 9.83 20.84 67.95 0.03 0.43 0.00 0.82 0.10 68 Y E E 146.72 2.49 8.44 12.90 121.26 82.15 -107.16 138.75 20.28 79.63 0.09 14.92 5.28 0.90 0.02 0.08 0.00 77.69 1.10 69 L E E 117.04 3.32 9.20 14.84 119.18 -150.91 -102.86 137.03 10.24 89.75 0.02 8.69 0.78 0.11 0.00 0.01 0.00 90.16 0.24 70 G E E 31.16 4.72 12.42 18.95 136.69 145.36 -155.42 175.20 7.22 92.76 0.01 5.75 0.97 0.12 0.00 0.01 0.00 93.04 0.12 71 K E E 129.88 4.70 12.38 19.21 121.54 -89.58 -105.91 142.32 5.76 94.23 0.01 5.25 0.32 0.02 0.00 0.00 0.00 92.66 1.73 72 R C C 107.88 8.58 12.39 22.47 124.15 -158.96 -115.64 141.25 55.46 44.52 0.02 53.09 1.37 0.05 0.00 0.01 0.00 44.79 0.67 73 P C C 68.73 6.98 14.95 23.28 114.72 -103.48 -66.71 151.16 78.59 21.33 0.08 66.38 8.57 1.14 0.01 0.09 0.00 23.42 0.40 74 D C C 71.12 9.68 14.86 25.37 106.68 -122.27 -84.09 101.48 79.98 19.93 0.09 54.73 21.88 1.95 0.01 0.12 0.00 20.85 0.47 75 R E E 88.77 11.36 17.12 29.03 129.74 128.39 -125.38 148.90 27.71 72.27 0.02 24.01 2.93 0.12 0.00 0.02 0.00 71.91 0.99 76 K E E 46.72 15.53 17.30 33.17 126.87 -157.49 -118.45 143.55 5.26 94.74 0.00 4.83 0.22 0.01 0.00 0.00 0.00 94.76 0.18 77 K E E 65.75 12.51 22.10 34.70 123.76 -151.34 -112.51 141.25 1.36 98.64 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.64 0.04 78 A E E 7.63 21.82 17.48 39.75 123.54 -158.09 -114.23 138.60 1.10 98.90 0.00 1.10 0.01 0.00 0.00 0.00 0.00 98.87 0.02 79 I E E 46.52 10.80 24.70 36.42 117.70 -154.74 -110.36 125.99 0.41 99.59 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.57 0.02 80 V E E 8.17 23.30 17.89 41.58 121.32 -167.87 -114.56 131.87 0.62 99.38 0.00 0.64 0.00 0.00 0.00 0.00 0.00 99.35 0.01 81 Q E E 70.65 9.10 26.25 35.73 118.44 -158.77 -108.97 130.33 1.77 98.23 0.00 1.78 0.03 0.00 0.00 0.00 0.00 98.10 0.09 82 V E E 10.57 22.74 13.24 36.03 122.27 -161.18 -107.47 139.10 10.29 89.71 0.00 10.37 0.19 0.00 0.00 0.00 0.00 87.81 1.62 83 A C C 43.99 5.93 19.13 26.01 119.00 -118.17 -73.91 156.21 97.17 2.82 0.02 96.55 0.78 0.06 0.00 0.01 0.00 2.43 0.17 84 P C T 103.62 4.05 14.82 20.65 110.31 -83.30 -59.49 137.18 98.57 0.81 0.62 0.94 4.80 93.03 0.03 0.52 0.00 0.52 0.16 85 G C T 62.14 1.05 16.27 16.42 96.31 20.61 85.59 -3.78 98.84 0.57 0.59 1.86 4.36 92.69 0.03 0.57 0.00 0.43 0.07 86 Q C C 66.02 12.55 11.16 24.28 117.47 128.69 -80.95 141.39 92.64 6.76 0.60 87.79 4.68 0.56 0.12 0.46 0.00 5.36 1.03 87 K C C 131.03 4.76 18.34 25.01 123.75 -157.38 -120.95 137.34 68.79 30.43 0.77 67.74 1.30 0.38 0.37 0.35 0.00 21.54 8.32 88 I C C 29.29 20.05 11.71 31.29 118.40 -154.80 -107.75 128.68 71.48 26.47 2.05 68.94 1.86 0.72 1.04 0.83 0.00 24.27 2.35 89 E C C 111.05 5.03 20.00 25.81 111.65 -139.23 -86.10 124.70 74.33 20.24 5.43 69.66 3.06 1.74 2.14 2.59 0.00 18.83 1.97 90 A C C 43.93 14.91 13.82 28.25 102.15 -165.41 -83.72 -23.49 73.40 8.94 17.65 44.13 16.46 13.86 4.60 12.53 0.02 6.90 1.51 91 L C C 79.73 10.50 13.86 24.70 102.18 30.41 -88.82 33.22 70.90 8.71 20.39 40.38 15.14 16.65 4.75 15.04 0.03 5.94 2.05 92 E C C 118.52 5.57 13.23 20.35 106.03 95.97 -87.95 50.15 73.14 6.68 20.17 32.57 19.03 23.20 4.28 14.74 0.04 4.50 1.65 93 G C C 47.04 4.83 12.65 18.75 113.28 -6.29 96.10 6.17 80.25 6.94 12.80 31.57 21.11 29.07 2.62 9.32 0.01 4.80 1.50 94 L C C 105.74 5.78 10.86 18.16 111.31 -58.03 -91.21 115.52 87.29 7.00 5.71 78.61 2.38 7.20 1.90 2.94 0.00 4.89 2.07 95 I C C 90.78 9.39 11.38 21.63 111.78 -146.35 -91.77 116.99 99.60 0.39 0.02 99.57 0.11 0.03 0.01 0.00 0.00 0.24 0.03