# 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 119.51 4.73 12.14 18.54 115.97 -153.10 -92.29 133.80 99.76 0.22 0.02 99.74 0.09 0.03 0.01 0.00 0.00 0.11 0.02 1 R C C 149.82 4.47 9.79 16.27 116.00 -147.16 -94.45 134.09 83.20 14.36 2.44 80.85 1.34 1.49 1.22 0.87 0.00 7.94 6.30 2 R C C 152.15 3.80 10.37 16.06 116.12 -141.77 -96.39 134.09 81.14 14.13 4.73 59.77 12.20 8.28 1.56 3.40 0.00 9.37 5.42 3 N C C 93.40 6.70 9.66 17.82 111.99 -137.98 -92.99 120.68 84.37 10.88 4.75 51.45 19.60 13.25 1.19 3.78 0.00 6.98 3.76 4 H C C 126.44 4.55 12.10 18.00 104.19 177.18 -103.50 24.32 86.44 8.01 5.55 45.20 24.92 16.75 1.45 4.00 0.01 4.41 3.26 5 G C C 40.20 6.20 11.06 18.58 115.24 -129.89 64.06 -153.32 83.08 4.24 12.69 33.10 26.91 23.72 2.92 9.23 0.01 2.07 2.03 6 R C T 163.58 3.09 12.30 16.63 104.61 -36.31 -79.24 54.80 75.19 4.88 19.93 25.97 21.82 28.66 4.29 14.41 0.04 2.45 2.37 7 G C C 46.12 5.00 11.02 17.47 103.91 60.93 -80.16 7.87 74.21 5.14 20.65 32.57 19.91 22.72 4.71 15.12 0.03 2.60 2.34 8 K C C 130.35 4.57 11.24 17.37 104.52 93.96 -85.29 23.37 72.17 7.35 20.49 41.31 16.85 14.35 6.21 13.88 0.03 3.77 3.60 9 K C C 143.11 3.13 11.61 16.21 106.39 88.80 -85.77 41.53 75.21 7.47 17.32 34.33 18.89 23.15 4.85 11.54 0.05 3.83 3.36 10 N C C 100.50 5.05 11.26 17.94 109.09 45.26 -92.68 108.82 82.08 4.77 13.15 35.15 21.89 25.55 2.84 9.97 0.01 2.43 2.17 11 R C T 154.36 4.24 12.20 17.94 106.32 -114.02 -85.53 52.14 84.19 5.59 10.22 29.06 22.54 33.17 1.94 7.89 0.02 2.82 2.56 12 G C T 45.30 6.22 13.38 20.67 108.53 -43.29 80.54 1.30 90.25 4.59 5.17 28.56 27.42 34.41 0.67 4.72 0.00 2.53 1.68 13 S C C 60.08 8.61 12.72 22.30 111.90 -2.51 -87.79 126.94 84.01 11.46 4.53 52.87 19.30 11.24 0.96 3.95 0.00 5.38 6.30 14 A C C 67.89 6.79 14.57 22.46 107.07 -163.96 -92.12 45.30 85.14 11.15 3.71 45.11 27.04 13.43 0.68 3.27 0.00 6.41 4.05 15 G C S 34.28 6.83 18.01 25.42 125.29 -58.93 128.49 -178.78 89.02 10.00 0.98 37.81 43.22 7.92 0.09 1.13 0.00 8.66 1.17 16 S C C 46.68 10.97 17.39 28.79 118.57 -51.09 -79.31 150.98 76.08 23.63 0.30 67.87 6.26 0.62 0.04 0.29 0.00 24.09 0.83 17 I E E 25.59 17.98 16.58 34.89 123.78 -152.50 -117.10 137.58 10.43 89.55 0.02 9.61 0.66 0.03 0.01 0.02 0.00 88.25 1.42 18 Q E E 84.28 8.23 22.64 31.30 118.14 -136.82 -100.14 131.32 2.61 97.39 0.01 2.66 0.08 0.00 0.01 0.00 0.00 86.57 10.68 19 C C C 10.45 20.67 12.00 33.29 109.39 -124.30 -76.17 123.84 69.94 30.03 0.03 71.09 0.53 0.05 0.00 0.02 0.00 26.72 1.59 20 D C T 89.01 6.06 18.69 25.91 93.74 -156.93 -73.11 -25.16 99.47 0.25 0.28 0.52 6.78 92.17 0.01 0.30 0.00 0.18 0.05 21 K C T 125.74 4.55 17.74 23.17 100.14 42.78 -84.33 -38.85 99.63 0.08 0.30 0.08 2.78 96.83 0.00 0.25 0.00 0.04 0.02 22 C C T 57.17 7.70 15.85 24.74 102.77 18.14 -109.42 -14.88 99.76 0.06 0.18 0.32 3.26 96.19 0.00 0.18 0.00 0.03 0.01 23 G C C 33.74 8.55 16.17 25.97 95.30 -121.89 80.29 7.09 99.20 0.67 0.13 86.06 7.21 5.90 0.02 0.12 0.00 0.42 0.26 24 S C C 42.37 8.20 19.58 28.96 121.15 137.81 -77.58 152.20 89.19 10.79 0.01 86.47 3.33 0.06 0.00 0.01 0.00 9.37 0.75 25 V E E 51.86 14.67 19.08 33.66 119.49 -120.38 -92.86 135.47 1.32 98.68 0.00 1.24 0.09 0.00 0.00 0.00 0.00 83.25 15.41 26 T E E 13.33 17.53 16.76 35.07 132.83 -176.78 -134.39 151.50 20.61 79.39 0.00 19.97 0.39 0.00 0.00 0.00 0.00 79.27 0.36 27 P E E 47.01 6.64 21.25 28.97 113.24 -95.85 -64.23 143.62 39.68 60.30 0.02 40.24 0.70 0.02 0.01 0.02 0.00 57.50 1.53 28 K H G 86.55 15.31 12.78 27.79 91.59 -119.20 -58.02 -35.15 34.46 0.58 64.96 0.93 2.89 29.56 0.79 65.36 0.00 0.40 0.08 29 D H G 119.15 1.36 19.62 20.21 90.52 60.74 -69.31 -17.07 34.27 0.55 65.18 0.58 2.31 30.58 0.88 65.22 0.00 0.35 0.08 30 K H G 104.74 7.28 17.61 25.83 97.09 51.86 -98.14 0.63 29.57 1.46 68.98 2.83 4.38 22.21 1.58 67.78 0.00 1.05 0.16 31 A C C 15.93 20.93 11.33 31.44 115.54 102.58 -81.08 137.93 67.75 29.24 3.00 55.54 9.94 1.64 1.19 1.86 0.00 27.00 2.83 32 I E E 64.46 10.98 17.55 29.33 118.34 -148.83 -105.64 131.07 15.72 84.10 0.18 14.13 1.49 0.15 0.12 0.09 0.00 80.99 3.03 33 K E E 115.48 8.18 16.76 26.06 116.54 -155.05 -97.39 133.31 13.46 86.44 0.11 11.45 1.39 0.12 0.03 0.06 0.00 86.70 0.24 34 R E E 122.19 7.27 15.16 23.77 123.96 -161.76 -118.59 138.83 11.05 88.80 0.16 9.86 0.74 0.10 0.05 0.07 0.00 89.01 0.17 35 F E E 98.31 9.86 12.36 23.46 123.18 -159.19 -116.74 138.36 5.77 94.17 0.06 5.51 0.21 0.02 0.03 0.02 0.00 94.01 0.20 36 R E E 136.24 4.77 14.63 21.13 119.52 -155.57 -112.02 130.53 4.26 95.68 0.06 3.91 0.23 0.03 0.03 0.02 0.00 95.57 0.20 37 I E E 85.73 8.26 10.99 20.95 116.46 -150.74 -101.40 130.19 12.46 87.40 0.14 11.72 0.55 0.08 0.06 0.05 0.00 87.13 0.40 38 Q E E 103.24 4.74 11.92 18.42 117.50 -165.31 -102.41 138.72 48.27 50.95 0.77 39.23 7.62 0.85 0.32 0.41 0.00 50.60 0.98 39 S C C 58.92 4.61 11.01 17.23 117.78 -131.30 -99.39 145.96 77.13 19.52 3.35 61.47 13.28 1.60 2.78 0.95 0.00 18.02 1.89 40 L H H 119.92 2.12 11.46 14.59 94.07 -120.10 -63.55 -34.78 12.75 0.72 86.52 6.00 3.09 4.67 82.60 2.94 0.03 0.48 0.18 41 I H H 114.63 1.50 12.67 14.16 93.52 53.63 -67.66 -38.63 8.17 0.61 91.22 3.75 1.52 3.55 87.05 3.48 0.03 0.49 0.12 42 E H H 92.27 4.53 12.19 18.20 94.52 50.44 -68.70 -38.20 6.23 0.38 93.38 3.36 1.04 2.46 88.69 4.07 0.02 0.30 0.08 43 Q H H 94.89 3.71 13.45 18.39 92.94 54.85 -64.79 -40.73 4.02 0.10 95.88 1.85 0.59 1.73 93.64 2.09 0.01 0.06 0.02 44 A H H 60.34 1.79 15.63 16.92 91.93 51.04 -64.76 -40.89 5.70 0.10 94.20 1.40 0.69 3.64 91.94 2.23 0.02 0.06 0.03 45 S H H 51.30 3.47 14.70 19.22 92.12 50.65 -65.66 -40.01 9.96 0.19 89.86 2.24 1.10 6.92 87.29 2.23 0.04 0.11 0.06 46 F H H 85.74 6.02 13.49 21.10 92.05 51.12 -64.85 -41.05 4.95 0.17 94.89 1.97 0.83 2.38 93.48 1.20 0.01 0.09 0.05 47 D H H 82.55 2.32 15.70 18.20 91.93 51.51 -64.26 -41.18 2.43 0.07 97.50 1.09 0.29 1.09 96.90 0.58 0.00 0.04 0.01 48 D H H 85.62 1.91 15.43 17.11 92.38 50.27 -65.71 -39.66 2.39 0.07 97.54 0.84 0.25 1.31 96.83 0.71 0.00 0.04 0.01 49 L H H 78.18 5.29 12.68 19.50 92.70 51.11 -66.08 -39.43 2.04 0.04 97.93 0.51 0.19 1.23 97.12 0.92 0.00 0.02 0.00 50 K H H 122.48 3.92 13.42 18.73 92.61 53.08 -66.22 -36.21 4.99 0.04 94.96 0.66 0.38 3.70 94.22 1.00 0.01 0.02 0.01 51 Q H H 133.67 1.27 14.08 14.95 93.75 52.30 -71.78 -26.24 19.64 0.10 80.25 1.21 1.25 16.87 79.40 1.14 0.04 0.04 0.05 52 A H H 66.74 3.76 11.21 16.32 99.10 60.15 -82.82 -9.32 48.98 1.07 49.95 10.27 7.87 30.66 48.18 1.99 0.08 0.45 0.51 53 T C C 71.51 6.55 9.27 17.38 113.13 105.24 -92.20 123.02 71.82 13.60 14.58 47.25 12.49 11.18 12.38 3.40 0.06 7.49 5.74 54 I C C 120.38 2.91 11.27 15.43 100.02 -158.78 -83.88 -13.98 72.29 14.34 13.37 35.23 21.48 16.61 8.92 4.55 0.13 8.51 4.57 55 Y C C 134.21 4.58 9.32 15.56 112.18 63.83 -97.23 123.08 71.90 12.50 15.60 33.30 20.98 19.02 8.16 6.98 0.18 7.62 3.76 56 D C C 114.39 2.35 11.43 15.08 100.73 -136.75 -79.62 -0.04 77.13 6.66 16.21 32.00 23.90 22.84 5.67 9.52 0.04 4.30 1.74 57 V C C 99.15 3.32 11.26 15.93 106.43 68.05 -96.79 -5.14 71.68 11.60 16.71 30.61 20.68 22.29 5.20 10.38 0.06 8.58 2.20 58 F C C 109.42 7.94 9.41 18.55 116.76 77.16 -105.57 134.83 67.25 19.93 12.82 43.50 14.70 9.57 4.21 8.70 0.03 15.69 3.59 59 E C C 131.66 3.19 14.33 18.86 116.55 -153.24 -102.70 130.82 67.90 25.62 6.48 50.87 11.39 4.74 2.99 3.89 0.02 19.59 6.52 60 V C C 64.52 12.21 10.32 23.07 117.55 -148.78 -98.34 129.22 81.32 17.26 1.42 64.36 15.91 1.16 0.77 0.73 0.00 13.81 3.27 61 P C C 61.43 7.80 13.23 22.80 113.72 -112.62 -67.63 150.26 86.49 10.29 3.23 71.13 9.79 5.26 0.91 2.18 0.00 9.65 1.08 62 R C S 161.98 3.82 14.97 20.29 105.92 -118.46 -77.16 85.03 75.30 18.28 6.42 30.82 35.93 9.91 2.00 3.76 0.03 15.98 1.57 63 M E E 87.48 9.25 13.74 23.96 122.75 36.27 -110.80 140.87 45.49 49.01 5.50 29.79 12.24 5.52 1.89 3.28 0.01 45.73 1.53 64 G E E 26.94 11.08 14.76 26.62 132.76 168.87 -140.12 166.93 20.52 76.90 2.58 16.02 4.10 1.50 1.36 1.16 0.00 74.94 0.92 65 Y E E 96.29 10.86 16.95 28.58 126.61 -127.00 -124.50 141.21 9.46 89.15 1.38 7.72 1.35 0.49 0.99 0.41 0.00 88.59 0.46 66 K E E 90.64 11.75 18.41 30.34 121.80 -149.36 -108.81 133.62 7.27 91.57 1.16 5.93 0.92 0.36 0.82 0.32 0.00 91.35 0.30 67 S E E 24.19 15.98 17.71 33.92 125.06 -165.44 -117.01 141.26 9.27 89.25 1.48 7.65 1.05 0.43 1.05 0.43 0.00 89.11 0.29 68 Q E E 53.66 13.86 21.42 35.30 124.35 -158.14 -116.96 136.41 9.00 89.27 1.73 7.43 1.07 0.50 1.30 0.53 0.00 88.61 0.56 69 F E E 36.15 17.97 19.83 37.50 125.78 -165.96 -119.08 140.90 18.85 79.18 1.97 16.33 1.73 0.55 1.61 0.57 0.00 78.06 1.15 70 C C C 23.27 15.39 21.34 36.99 111.21 -129.20 -89.92 122.61 51.13 46.67 2.20 46.96 2.49 0.62 1.60 0.60 0.00 46.24 1.50 71 V H H 36.74 17.16 19.77 36.77 95.05 -155.51 -70.03 -31.65 36.87 8.44 54.68 19.95 8.07 10.05 44.42 8.57 0.25 7.63 1.06 72 S H H 43.61 8.76 21.68 31.10 92.11 61.07 -65.28 -37.58 27.01 5.63 67.37 11.80 5.67 10.83 54.16 11.29 0.27 5.12 0.87 73 C H H 33.97 10.74 19.63 31.36 92.27 52.18 -67.73 -37.71 16.41 4.64 78.95 7.67 3.33 6.35 63.08 14.40 0.14 4.46 0.57 74 A H H 14.22 16.66 15.75 33.02 92.49 53.67 -65.52 -39.88 13.84 6.40 79.76 6.92 2.62 5.23 66.00 12.22 0.12 6.24 0.66 75 C H H 52.78 9.41 16.83 26.99 92.87 51.20 -66.61 -39.54 16.67 9.69 73.64 7.19 3.18 7.53 62.33 9.42 0.34 8.83 1.19 76 H H H 120.96 4.11 17.11 21.89 93.23 50.68 -70.41 -29.32 26.65 6.44 66.91 8.00 4.64 15.19 57.82 7.25 0.62 5.03 1.45 77 A C T 49.28 7.93 13.55 22.84 95.68 51.57 -87.37 -3.58 67.36 1.07 31.58 7.06 8.93 49.38 29.09 4.34 0.11 0.60 0.49 78 K C T 147.42 3.68 16.18 21.22 94.06 -123.53 59.89 30.30 75.25 1.83 22.91 9.76 9.97 53.55 20.86 3.92 0.09 1.21 0.64 79 I C C 69.35 10.10 14.55 25.53 102.77 128.54 -91.64 -4.84 55.67 17.61 26.71 25.17 17.21 14.24 22.19 4.61 0.52 12.19 3.88 80 V C C 54.12 13.80 12.64 26.39 120.56 70.42 -106.61 134.94 54.95 19.98 25.07 28.00 18.98 8.51 20.97 4.50 0.28 15.50 3.26 81 R C C 139.07 5.65 16.85 23.54 114.77 -153.74 -99.49 123.89 59.23 18.83 21.94 40.66 11.36 6.59 18.56 4.26 0.07 15.81 2.69 82 V C C 74.08 10.34 12.82 23.96 113.36 -143.92 -93.75 124.06 68.71 12.85 18.43 53.51 9.00 5.13 16.62 3.00 0.03 10.62 2.10 83 R C C 116.80 7.78 12.44 21.39 117.13 -155.49 -100.04 144.99 79.81 6.18 14.02 58.25 15.63 4.68 13.60 1.83 0.01 4.59 1.42 84 S C C 54.02 4.06 13.82 19.03 118.47 -100.99 -79.19 154.19 84.50 2.68 12.82 69.79 10.25 3.20 13.02 1.27 0.00 1.59 0.88 85 S H H 73.05 4.12 11.66 17.45 92.85 -115.08 -61.71 -36.50 16.84 0.46 82.69 7.47 4.32 6.22 77.04 4.50 0.03 0.28 0.15 86 Q H H 121.49 1.48 14.75 15.91 92.28 53.87 -65.63 -39.69 11.34 0.49 88.17 3.93 2.14 5.91 81.43 6.03 0.05 0.38 0.12 87 A H H 39.36 6.41 12.15 20.59 92.21 51.02 -65.91 -38.37 10.15 0.61 89.24 4.45 1.76 4.59 81.26 7.27 0.03 0.50 0.13 88 R H H 98.07 8.14 11.81 21.20 92.32 54.23 -65.93 -36.23 11.83 0.82 87.34 5.69 2.09 4.95 80.51 5.94 0.03 0.61 0.18 89 K H H 125.92 2.71 14.93 18.29 93.11 54.39 -67.37 -33.84 21.43 1.93 76.64 9.36 3.60 9.83 70.63 4.65 0.07 1.36 0.50 90 I H H 98.50 3.66 14.18 18.75 95.99 53.01 -75.07 -27.91 33.48 2.77 63.75 17.34 5.75 11.57 59.30 3.50 0.06 1.64 0.85 91 R C H 117.10 8.54 11.58 20.86 97.72 72.61 -73.75 -24.00 49.60 3.69 46.71 28.42 8.35 13.33 43.45 3.13 0.04 1.91 1.37 92 Y C C 145.04 4.66 13.27 19.10 101.65 59.47 -86.95 -3.94 66.16 3.01 30.83 31.01 16.86 18.05 28.23 3.15 0.03 1.46 1.21 93 G C C 47.62 4.10 13.92 19.03 106.79 -28.70 83.06 7.13 87.36 1.69 10.95 53.97 16.73 16.35 8.68 2.60 0.00 0.86 0.80 94 F C C 109.13 8.29 10.25 19.56 113.75 80.08 -87.50 137.54 92.89 1.65 5.46 67.38 20.09 5.15 4.06 1.50 0.00 0.64 1.17 95 N C C 89.14 4.21 12.62 18.31 111.81 -116.29 -84.71 127.38 94.88 0.44 4.68 83.03 9.40 2.21 4.16 0.74 0.00 0.15 0.31 96 P H H 89.95 5.65 10.41 17.88 96.36 -128.90 -63.07 -28.14 47.87 0.48 51.65 24.14 6.99 17.27 41.22 9.87 0.01 0.23 0.28 97 N H H 113.95 2.18 12.17 15.25 98.05 59.77 -78.22 -11.19 38.65 1.09 60.25 18.70 6.44 14.45 47.83 11.46 0.04 0.61 0.46 98 R H H 127.86 4.98 11.97 18.44 100.22 71.83 -78.46 -20.19 30.84 1.97 67.18 18.79 6.10 7.32 53.37 12.58 0.03 1.21 0.60 99 V H H 71.60 7.86 10.08 19.16 105.52 62.70 -85.93 26.71 33.34 2.53 64.13 22.66 5.77 6.75 54.26 8.25 0.02 1.52 0.77 100 A H H 67.61 4.03 11.06 16.59 105.62 56.60 -75.95 82.55 38.61 2.30 59.09 22.93 7.00 10.46 50.30 7.13 0.04 1.31 0.82 101 S H H 81.52 2.52 10.54 14.31 104.10 52.35 -84.07 20.42 48.01 1.73 50.25 22.64 9.11 17.91 41.76 6.89 0.06 0.90 0.74 102 A C C 75.79 3.79 8.29 13.78 106.37 89.78 -84.37 63.00 60.00 2.45 37.55 30.96 11.80 18.44 30.45 6.00 0.04 1.21 1.10 103 H C C 145.97 2.21 8.30 12.11 108.07 75.52 -90.80 81.08 78.55 2.54 18.91 60.19 2.87 14.99 16.33 2.92 0.00 1.37 1.32 104 N C C 117.10 2.87 10.03 14.52 107.71 92.47 -89.08 90.17 99.92 0.06 0.03 99.79 0.09 0.07 0.01 0.00 0.00 0.03 0.01