# 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 108.62 6.79 11.05 19.31 117.72 -168.38 -98.52 132.93 99.80 0.19 0.01 99.78 0.08 0.02 0.00 0.00 0.00 0.11 0.01 1 H C C 130.08 3.81 10.87 16.56 118.27 -156.39 -105.23 131.96 74.21 25.26 0.53 73.96 0.63 0.45 0.20 0.18 0.00 22.98 1.60 2 K C C 132.19 4.32 10.09 16.54 119.90 -158.38 -109.25 136.30 55.57 43.54 0.88 49.33 4.31 1.08 0.32 0.53 0.00 42.37 2.06 3 I E E 83.22 8.79 9.67 19.93 118.04 -149.54 -105.18 130.03 47.02 52.26 0.71 43.74 2.34 0.53 0.30 0.34 0.00 51.12 1.63 4 I E E 100.15 4.79 14.10 20.58 119.38 -159.95 -110.68 130.56 45.15 54.10 0.75 42.17 2.32 0.54 0.36 0.35 0.00 52.49 1.78 5 I C C 83.76 9.58 10.81 21.66 117.76 -158.33 -103.40 130.01 56.69 42.51 0.80 51.29 4.05 0.78 0.39 0.41 0.00 40.94 2.14 6 H C C 108.92 5.84 12.33 19.88 119.23 -156.95 -103.40 132.63 74.85 24.09 1.06 66.00 6.30 1.65 0.39 0.62 0.00 23.20 1.84 7 K C C 136.68 4.72 11.60 17.98 111.37 -141.42 -88.25 126.63 87.13 10.96 1.91 56.39 20.90 9.65 0.49 1.51 0.00 9.63 1.44 8 G C C 43.92 5.05 11.80 18.22 117.58 29.86 -66.92 172.23 93.04 4.27 2.68 49.23 31.52 12.55 0.60 2.12 0.00 2.80 1.17 9 R C C 158.12 3.52 12.77 17.65 109.09 -49.70 -84.79 121.31 89.25 3.12 7.63 55.50 23.60 10.06 1.61 6.23 0.00 1.70 1.31 10 T C C 82.55 6.01 12.59 19.88 102.71 52.23 -79.18 18.82 87.90 3.04 9.06 50.68 19.62 17.23 1.57 8.05 0.00 1.73 1.12 11 Y C C 104.60 10.57 11.12 22.17 105.35 59.60 -93.27 44.65 85.19 5.89 8.91 56.27 15.05 13.35 1.92 7.49 0.00 3.06 2.86 12 K C C 129.28 4.85 13.76 19.99 105.17 103.86 -92.10 77.99 91.16 4.89 3.95 66.87 18.11 5.88 1.21 2.83 0.00 2.75 2.35 13 T C C 53.84 8.20 11.05 20.95 127.43 112.99 -110.99 157.86 87.19 8.30 4.50 53.19 28.30 5.35 1.59 2.78 0.00 3.24 5.56 14 R C T 179.79 2.39 14.18 17.53 94.50 -122.81 -70.62 -19.69 68.74 2.40 28.86 12.57 19.82 36.87 2.06 26.35 0.01 1.36 0.96 15 S C T 64.93 5.51 14.22 20.98 96.06 65.34 -81.20 -11.01 69.55 3.28 27.16 13.26 17.21 39.30 1.68 25.49 0.01 2.21 0.84 16 N C C 52.24 13.76 11.42 25.42 111.65 77.59 -95.85 117.80 57.83 15.86 26.31 33.58 14.81 11.40 2.12 23.17 0.01 13.60 1.32 17 V E E 64.91 7.42 16.62 25.35 119.79 -158.08 -102.01 138.27 39.33 59.99 0.68 33.19 4.96 0.88 0.16 0.47 0.00 59.49 0.85 18 R E E 120.30 10.14 14.19 25.27 119.62 -147.67 -106.01 134.16 5.69 94.29 0.02 5.38 0.25 0.02 0.01 0.01 0.00 94.13 0.20 19 K E E 87.28 7.50 15.57 24.64 127.41 -176.32 -126.61 144.84 1.18 98.82 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.84 0.02 20 V E E 82.11 6.96 14.61 23.15 116.08 -131.20 -96.36 128.37 0.83 99.17 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.17 0.02 21 V E E 45.15 10.15 12.01 24.03 126.34 -173.98 -122.81 146.47 1.25 98.74 0.00 1.19 0.04 0.00 0.00 0.00 0.00 98.74 0.02 22 K E E 137.81 2.86 13.57 17.85 114.65 -125.83 -91.46 126.66 6.40 93.59 0.01 6.07 0.25 0.01 0.00 0.00 0.00 93.22 0.44 23 T C C 38.15 10.29 7.35 18.73 123.01 -144.10 -86.43 166.01 96.29 3.66 0.04 96.08 0.60 0.08 0.01 0.02 0.00 2.94 0.27 24 P C T 121.22 1.19 10.07 11.98 91.17 -98.74 -61.59 -24.68 96.67 0.51 2.82 0.89 4.69 90.58 0.06 3.34 0.00 0.34 0.11 25 S C T 89.86 0.99 9.55 10.76 93.81 54.72 -85.78 -0.95 96.54 0.14 3.32 0.46 3.95 91.60 0.07 3.81 0.00 0.08 0.04 26 G C S 52.66 2.17 10.67 14.10 97.47 -101.67 86.76 5.07 96.73 0.72 2.55 14.02 77.25 5.66 0.19 2.16 0.00 0.39 0.32 27 K C C 115.95 3.15 11.34 16.28 117.89 133.26 -84.48 142.60 91.96 7.97 0.08 88.90 3.08 0.21 0.02 0.05 0.00 6.91 0.84 28 L E E 91.43 6.74 11.42 20.02 115.07 -122.21 -88.20 130.98 2.00 97.99 0.00 1.91 0.07 0.00 0.00 0.00 0.00 97.85 0.17 29 V E E 50.48 8.91 13.53 24.55 123.39 -172.54 -121.37 141.40 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 30 A E E 42.60 10.64 13.99 26.16 118.63 -138.38 -103.20 132.05 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 31 R E E 91.09 8.78 16.46 26.65 121.49 -166.26 -115.36 133.56 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 32 R E E 95.20 11.38 13.74 26.09 120.69 -157.25 -109.14 132.45 2.12 97.88 0.00 1.87 0.10 0.00 0.00 0.00 0.00 97.98 0.05 33 Q E E 72.37 8.28 15.73 25.56 121.17 -165.10 -112.91 133.69 12.79 87.18 0.03 12.06 0.64 0.05 0.01 0.02 0.00 86.61 0.61 34 K C E 116.25 8.01 13.46 22.87 114.50 -136.42 -88.88 131.91 52.57 47.29 0.14 46.29 4.89 0.36 0.04 0.11 0.00 46.81 1.50 35 K C C 100.75 7.07 13.62 22.13 122.73 -153.80 -108.64 145.15 84.59 15.20 0.20 73.68 9.83 0.76 0.05 0.18 0.00 13.62 1.87 36 H C C 136.60 3.69 15.48 20.67 113.10 -107.13 -75.97 136.30 90.49 9.25 0.25 86.66 3.67 0.64 0.07 0.18 0.00 6.31 2.47 37 A C C 33.40 15.74 8.87 24.08 116.74 -119.26 -74.76 147.21 94.27 5.45 0.29 86.92 6.39 1.25 0.06 0.25 0.00 3.47 1.67 38 K C C 152.37 2.21 17.52 20.01 105.75 -149.66 -96.31 3.43 92.43 7.36 0.21 72.74 18.86 0.95 0.06 0.18 0.00 3.49 3.71 39 F C C 102.30 7.81 15.71 24.52 121.45 40.57 -111.16 141.44 92.61 7.28 0.11 67.95 24.86 0.45 0.03 0.10 0.00 4.83 1.78 40 H C C 57.69 14.95 14.20 29.32 112.20 -120.56 -84.43 136.04 91.05 8.87 0.08 85.21 5.50 0.31 0.02 0.08 0.00 8.14 0.75 41 R E B 110.93 6.49 21.27 28.76 129.98 -149.71 -128.71 149.61 7.14 92.83 0.03 5.71 0.21 0.00 0.04 0.00 0.00 14.53 79.50 42 C C C 9.97 20.10 11.88 32.74 110.49 -111.25 -70.88 130.48 86.45 13.52 0.03 87.96 0.52 0.06 0.01 0.01 0.00 9.28 2.16 43 H C T 101.37 6.68 18.51 26.42 92.87 -145.32 -68.93 -27.54 99.85 0.07 0.09 0.30 4.16 95.41 0.00 0.07 0.00 0.04 0.01 44 E C T 96.93 7.65 16.59 25.09 99.79 43.60 -83.99 -41.43 99.86 0.04 0.10 0.06 2.55 97.29 0.00 0.07 0.00 0.02 0.01 45 C C T 57.77 6.71 14.21 22.55 101.95 18.90 -107.68 -12.60 99.81 0.07 0.12 0.38 5.01 94.45 0.00 0.10 0.00 0.04 0.02 46 N C C 112.01 4.12 14.82 20.75 94.41 -126.49 70.84 16.75 99.47 0.43 0.10 83.28 13.10 3.05 0.03 0.08 0.00 0.22 0.25 47 T C C 60.91 6.11 15.05 22.95 120.06 140.21 -82.16 146.80 95.66 4.27 0.07 81.70 14.03 0.32 0.02 0.05 0.00 2.77 1.10 48 K E B 127.33 5.05 18.84 25.05 113.91 -106.31 -74.08 138.32 4.65 95.30 0.05 3.64 0.21 0.01 0.07 0.01 0.00 14.49 81.56 49 L C C 15.04 22.60 9.67 31.54 110.82 -138.43 -93.73 120.28 88.41 11.10 0.49 87.31 1.41 0.38 0.08 0.39 0.00 9.21 1.21 50 L C T 111.35 3.85 20.33 24.81 105.94 -150.19 -73.72 90.28 89.42 7.44 3.14 30.35 21.80 37.70 0.38 3.03 0.00 5.61 1.14 51 S C T 63.35 7.93 18.33 26.29 98.10 31.25 -69.38 -0.21 86.60 9.52 3.88 22.46 23.28 41.62 0.47 3.60 0.00 7.01 1.56 52 I C C 24.70 21.45 10.85 31.41 116.73 96.09 -100.60 127.39 80.28 17.02 2.70 63.39 14.03 2.11 0.90 2.05 0.00 11.52 6.00 53 A C C 55.42 5.79 20.58 26.73 116.20 -124.28 -73.35 148.46 82.57 14.97 2.47 71.88 7.55 2.73 0.74 1.85 0.00 11.83 3.41 54 R C C 135.39 9.10 16.01 26.09 113.01 -107.91 -74.28 134.84 84.73 12.94 2.33 64.69 16.11 3.81 0.80 1.67 0.00 8.61 4.30 55 M C C 45.77 14.86 11.81 27.08 126.40 -168.44 -117.41 148.39 88.54 10.66 0.80 74.31 12.69 0.68 0.47 0.36 0.00 4.44 7.05 56 R C C 124.50 3.18 19.35 22.30 116.46 -108.24 -73.84 147.44 99.33 0.46 0.21 96.92 2.40 0.12 0.15 0.03 0.00 0.18 0.19 57 P H H 64.47 11.31 11.37 23.53 91.50 -112.75 -56.79 -39.22 7.86 0.06 92.09 0.98 0.75 5.38 77.60 15.22 0.02 0.04 0.02 58 A H H 71.61 1.89 16.02 17.72 91.60 54.56 -64.19 -36.67 5.12 0.05 94.83 0.52 0.41 3.63 78.19 17.20 0.01 0.03 0.01 59 E H H 90.19 4.60 15.69 21.37 92.63 49.99 -68.12 -37.69 3.13 0.05 96.82 0.54 0.32 1.94 80.70 16.45 0.00 0.04 0.01 60 F H H 39.34 16.74 10.48 26.89 92.34 53.09 -66.70 -35.96 6.03 0.08 93.89 1.12 0.67 3.82 81.88 12.42 0.01 0.05 0.02 61 S H H 65.23 6.20 14.34 21.96 91.32 61.35 -68.57 -21.14 43.82 0.14 56.04 1.59 1.83 40.50 47.90 7.93 0.07 0.07 0.12 62 R C T 179.82 0.97 16.34 15.95 95.43 53.36 -88.63 -4.57 63.89 0.19 35.92 2.87 3.93 56.32 28.82 7.78 0.03 0.09 0.17 63 Q C C 57.08 13.19 7.84 21.17 117.88 104.37 -77.96 145.49 90.60 1.34 8.06 46.17 40.75 3.60 6.53 1.42 0.00 0.35 1.18 64 K C C 131.98 2.04 16.06 18.06 116.13 -124.70 -86.52 144.95 91.48 2.97 5.55 84.01 4.85 2.28 3.75 1.47 0.00 1.03 2.63 65 V H G 81.05 10.51 9.83 20.92 93.88 -116.74 -60.68 -34.68 37.20 1.53 61.26 11.49 7.16 19.06 14.79 45.92 0.08 0.81 0.68 66 S H G 83.38 2.15 13.93 16.90 92.90 61.23 -69.66 -20.93 39.16 0.69 60.15 6.34 6.15 25.31 13.93 47.43 0.07 0.36 0.40 67 A H G 69.02 4.15 13.75 19.06 95.87 57.30 -84.50 -9.82 35.91 1.13 62.96 10.19 7.35 19.04 13.09 49.13 0.06 0.61 0.52 68 R C C 89.74 13.75 10.80 24.28 108.70 86.00 -85.12 103.64 78.57 2.63 18.80 53.17 19.68 6.06 11.11 7.20 0.01 1.07 1.70 69 K C C 121.81 4.76 18.01 24.00 119.57 147.63 -105.92 135.24 84.22 9.73 6.05 68.65 11.07 2.79 4.11 2.10 0.01 3.80 7.48 70 V C C 45.81 17.07 10.97 27.41 112.73 -144.59 -89.92 126.01 88.08 7.71 4.22 73.45 10.43 3.52 2.38 1.85 0.00 3.94 4.43 71 N C C 108.10 3.77 16.98 22.00 112.45 101.12 -106.54 103.44 90.54 6.94 2.52 70.81 15.74 3.29 1.26 1.24 0.00 3.05 4.61 72 R C C 97.00 9.73 11.59 22.43 120.73 94.44 -93.32 146.75 89.37 5.54 5.09 47.86 34.66 6.54 1.99 2.63 0.01 1.89 4.43 73 P C T 92.05 4.88 14.25 20.38 95.65 -110.31 -63.60 -27.77 92.02 0.58 7.40 4.82 13.03 73.92 1.31 6.22 0.00 0.32 0.39 74 L C T 96.92 6.24 12.40 19.79 100.17 40.89 -94.94 8.49 90.55 1.46 7.99 5.22 12.82 72.19 1.25 6.89 0.00 0.85 0.77 75 G C T 36.60 7.67 12.72 21.49 113.51 -117.79 68.03 -163.52 84.78 4.22 10.99 23.46 25.63 35.40 2.21 8.82 0.01 1.88 2.59 76 S C T 75.19 5.60 14.79 21.17 99.51 4.15 -39.30 2.68 87.21 2.69 10.11 20.26 27.90 39.15 2.60 7.33 0.01 1.27 1.48 77 T C S 71.04 7.24 14.65 22.93 110.31 103.13 -88.30 130.27 81.81 5.82 12.37 19.97 43.15 19.35 5.73 5.61 0.05 2.75 3.41 78 T C S 76.57 6.98 16.86 24.59 100.55 -99.61 -78.10 -21.28 71.74 15.44 12.83 18.59 36.91 15.33 8.96 3.33 0.32 5.43 11.13 79 C C C 39.23 12.07 16.19 28.67 102.14 40.54 -93.55 10.58 79.63 6.70 13.68 56.99 11.65 9.42 12.68 2.10 0.01 2.48 4.67 80 G H H 19.20 13.18 15.85 29.71 94.43 109.97 -61.70 -40.87 8.10 0.07 91.83 3.46 1.64 3.33 90.38 1.11 0.01 0.03 0.03 81 K H H 125.11 3.21 22.50 25.67 92.54 52.55 -65.96 -39.51 2.78 0.02 97.20 0.55 0.37 1.75 96.41 0.89 0.00 0.01 0.01 82 C H H 35.86 7.96 19.76 29.06 92.21 50.17 -65.08 -42.43 1.64 0.02 98.35 0.46 0.20 0.93 97.55 0.85 0.00 0.01 0.00 83 V H H 18.74 16.68 17.28 34.51 91.93 49.91 -64.40 -42.82 0.81 0.01 99.17 0.34 0.11 0.36 98.98 0.20 0.00 0.01 0.00 84 K H H 85.22 10.35 20.34 30.58 91.68 51.25 -63.22 -42.17 0.66 0.00 99.33 0.23 0.07 0.33 99.28 0.08 0.00 0.00 0.00 85 E H H 104.05 3.43 22.16 25.37 92.03 49.77 -65.22 -40.94 0.32 0.00 99.68 0.11 0.04 0.14 99.69 0.03 0.00 0.00 0.00 86 K H H 83.34 8.62 20.16 29.16 92.26 49.53 -65.87 -41.22 0.16 0.00 99.84 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 87 I H H 42.50 14.32 18.15 32.54 92.21 48.63 -65.03 -42.54 0.11 0.00 99.89 0.02 0.01 0.06 99.90 0.01 0.00 0.00 0.00 88 I H H 68.19 8.09 19.72 28.26 91.89 48.93 -64.14 -42.44 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 89 E H H 98.74 3.22 20.97 23.99 91.89 49.43 -64.67 -41.86 0.28 0.00 99.72 0.03 0.01 0.19 99.72 0.04 0.00 0.00 0.00 90 A H H 31.10 8.28 17.98 27.62 91.90 50.07 -64.55 -41.67 1.06 0.00 98.94 0.08 0.05 0.83 98.92 0.12 0.00 0.00 0.00 91 F H H 67.09 10.90 17.73 29.07 92.41 48.66 -65.57 -41.77 3.34 0.01 96.65 0.27 0.21 2.61 96.64 0.26 0.00 0.00 0.00 92 L H H 80.07 5.39 18.59 24.38 92.20 49.70 -65.16 -40.93 5.66 0.02 94.31 0.71 0.50 4.06 94.26 0.44 0.01 0.01 0.01 93 N H H 82.75 2.81 19.26 21.71 92.30 49.54 -65.24 -41.25 4.94 0.03 95.04 1.09 0.62 2.97 94.86 0.43 0.00 0.01 0.02 94 D H H 62.69 6.55 17.74 24.81 92.58 49.42 -65.70 -40.38 2.26 0.01 97.73 0.66 0.25 1.14 97.69 0.25 0.00 0.00 0.00 95 E H H 69.41 9.21 16.16 26.20 92.20 51.01 -64.61 -40.77 0.90 0.00 99.10 0.22 0.08 0.47 99.08 0.14 0.00 0.00 0.00 96 E H H 97.08 3.98 17.56 22.03 91.80 51.58 -64.50 -40.37 0.44 0.00 99.56 0.09 0.03 0.23 99.56 0.09 0.00 0.00 0.00 97 R H H 126.56 2.40 18.34 20.33 91.98 50.56 -65.01 -41.16 0.41 0.00 99.59 0.07 0.02 0.23 99.60 0.07 0.00 0.00 0.00 98 I H H 64.81 6.31 15.74 23.04 91.89 49.55 -65.04 -42.30 0.40 0.00 99.59 0.07 0.03 0.23 99.59 0.08 0.00 0.00 0.00 99 V H H 63.52 6.11 14.76 21.66 91.93 49.91 -64.26 -41.89 0.53 0.00 99.46 0.11 0.04 0.29 99.44 0.12 0.00 0.00 0.00 100 R H H 137.07 2.04 15.46 17.61 91.74 50.61 -64.96 -40.68 1.05 0.00 98.94 0.18 0.07 0.65 98.86 0.23 0.00 0.00 0.00 101 E H H 113.56 2.27 14.12 16.85 92.37 50.52 -66.04 -38.90 2.70 0.01 97.29 0.38 0.21 1.88 97.07 0.45 0.00 0.01 0.00 102 K H H 118.06 4.40 11.71 16.83 93.03 51.30 -67.57 -33.87 7.90 0.04 92.07 1.10 0.73 5.57 91.84 0.72 0.01 0.02 0.01 103 A H H 79.20 2.56 10.44 13.94 94.68 53.88 -73.56 -24.02 29.44 0.30 70.25 6.33 3.69 18.93 69.53 1.20 0.03 0.11 0.17 104 T C H 105.78 1.44 9.92 12.12 99.37 59.45 -82.17 -9.43 60.22 0.74 39.04 30.49 1.92 25.14 40.43 1.33 0.00 0.30 0.39 105 A C C 75.21 3.91 10.24 15.77 106.38 98.11 -76.38 89.15 99.87 0.07 0.06 99.72 0.10 0.09 0.04 0.00 0.00 0.04 0.01