# 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 T C C 84.60 4.99 11.82 18.33 117.43 -152.32 -96.10 140.24 99.92 0.06 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 134.66 3.77 9.97 15.50 112.39 -126.08 -92.52 132.02 85.84 6.18 7.99 81.88 1.82 2.45 6.41 1.32 0.00 2.96 3.17 2 K C C 135.80 3.30 9.45 14.53 110.87 -129.35 -80.59 136.69 75.42 8.74 15.85 57.73 10.85 6.12 11.48 4.90 0.01 5.12 3.79 3 R C C 151.76 4.09 9.71 15.46 103.70 -122.89 -75.76 8.38 66.70 8.68 24.61 45.74 11.26 9.34 13.96 10.93 0.03 5.50 3.25 4 R C C 150.20 3.64 11.49 16.62 110.35 55.94 -87.79 118.19 62.83 8.77 28.39 34.94 14.11 14.47 14.68 13.07 0.11 5.44 3.20 5 N C C 83.58 7.30 10.32 19.00 109.15 58.55 -94.40 100.33 68.12 7.35 24.53 35.67 15.05 18.11 11.93 11.75 0.09 4.20 3.20 6 N C C 97.09 5.20 12.63 19.18 102.70 75.28 -94.07 24.02 78.32 4.44 17.24 31.77 19.82 27.86 8.36 7.80 0.04 2.18 2.17 7 G C T 43.14 6.34 12.65 20.09 101.81 -105.42 73.72 1.91 79.02 2.85 18.13 22.15 24.68 33.41 6.65 10.18 0.03 1.42 1.48 8 R C C 140.73 4.34 14.06 19.61 108.06 111.96 -91.25 61.08 66.70 9.21 24.08 30.77 19.42 17.64 9.72 13.06 0.19 4.84 4.37 9 A C C 49.75 9.25 10.34 20.76 114.64 98.79 -86.86 135.51 65.45 11.97 22.59 38.93 13.71 13.05 9.03 13.37 0.08 7.76 4.08 10 K C C 132.10 4.14 12.23 17.94 114.83 -142.97 -96.34 133.09 64.30 16.65 19.05 36.67 15.03 12.79 7.90 11.00 0.16 10.29 6.18 11 K C T 147.88 2.76 10.85 15.17 112.53 -116.99 -89.53 129.16 71.84 12.92 15.23 22.04 21.41 29.63 4.76 9.65 0.22 7.85 4.45 12 G C T 55.16 2.36 11.45 14.66 109.81 10.45 83.52 -107.88 87.12 3.67 9.20 16.93 25.81 43.98 1.27 8.33 0.01 2.45 1.21 13 R C T 176.39 1.87 10.86 13.83 105.55 -2.69 -89.62 49.10 85.49 4.45 10.06 20.05 26.51 38.70 1.24 9.05 0.01 2.45 1.99 14 G C S 46.77 4.43 11.96 17.80 107.23 -78.41 84.46 -2.21 85.64 8.55 5.81 25.53 31.29 28.84 0.61 5.58 0.01 5.84 2.30 15 H C C 104.40 6.62 12.50 20.61 115.59 112.16 -93.02 132.71 78.59 18.38 3.03 44.22 25.03 9.26 0.67 2.67 0.01 10.82 7.33 16 V C C 63.98 10.95 12.80 24.70 115.98 -151.25 -99.01 131.36 79.47 19.91 0.62 64.37 12.73 1.35 0.22 0.43 0.00 10.18 10.71 17 Q C C 97.52 6.30 18.38 25.54 119.65 -140.92 -97.36 140.15 91.10 8.87 0.03 84.19 6.99 0.14 0.01 0.02 0.00 7.70 0.95 18 P C C 54.64 12.48 16.90 29.74 116.10 -103.38 -68.01 148.71 85.43 14.54 0.03 82.25 3.14 0.12 0.00 0.03 0.00 13.66 0.80 19 I E E 28.97 16.78 16.70 34.11 121.81 -148.86 -111.85 136.21 12.44 87.55 0.01 11.76 0.69 0.02 0.00 0.01 0.00 84.91 2.61 20 R E E 111.02 7.86 21.89 30.29 117.13 -134.65 -98.26 131.25 4.57 95.42 0.01 4.56 0.12 0.00 0.01 0.00 0.00 80.34 14.96 21 C C C 11.85 19.77 12.09 32.61 109.35 -120.69 -73.66 125.51 74.43 25.54 0.03 76.08 0.43 0.04 0.01 0.01 0.00 21.86 1.58 22 T C T 71.73 7.37 18.51 27.10 93.56 -152.15 -71.83 -24.19 99.39 0.30 0.31 0.75 8.50 90.07 0.01 0.38 0.00 0.22 0.06 23 N C T 92.03 5.84 17.46 24.10 100.55 43.20 -87.57 -39.43 99.50 0.13 0.37 0.19 4.92 94.38 0.01 0.40 0.00 0.08 0.03 24 C C T 58.16 6.95 15.78 23.90 102.99 17.17 -111.72 -10.51 99.50 0.17 0.33 2.26 11.76 85.36 0.01 0.45 0.00 0.11 0.06 25 A C C 57.89 9.08 15.49 25.64 95.30 -128.88 71.10 13.03 99.03 0.84 0.13 82.93 10.46 5.63 0.02 0.13 0.00 0.48 0.35 26 R C C 106.09 6.17 20.06 27.30 122.23 132.60 -86.44 150.00 86.13 13.85 0.02 81.64 4.96 0.11 0.00 0.02 0.00 12.08 1.18 27 C E E 50.32 13.81 18.25 32.12 115.40 -114.33 -83.43 137.00 2.93 97.07 0.00 2.57 0.35 0.01 0.00 0.00 0.00 81.31 15.76 28 V E E 14.84 18.05 15.45 34.21 129.83 -174.38 -130.41 148.32 23.77 76.22 0.00 22.88 0.69 0.01 0.00 0.00 0.00 75.25 1.17 29 P E C 50.82 5.83 21.17 27.89 113.38 -100.11 -64.03 143.31 49.20 50.78 0.02 50.92 0.50 0.01 0.00 0.01 0.00 46.66 1.90 30 K H G 88.36 15.07 12.40 27.19 91.22 -120.60 -57.96 -35.60 23.64 0.33 76.03 0.84 2.17 19.08 1.15 76.50 0.00 0.23 0.04 31 D H G 119.19 1.35 19.31 19.88 90.21 61.62 -69.50 -16.94 24.76 0.38 74.87 0.47 1.89 21.54 1.51 74.29 0.00 0.24 0.06 32 K H G 103.87 7.27 17.25 25.54 96.79 52.66 -97.13 -0.56 22.02 0.80 77.18 1.91 3.31 15.88 2.73 75.52 0.00 0.56 0.09 33 A C C 14.84 21.31 11.13 31.56 114.95 99.55 -82.71 136.54 64.29 31.64 4.07 52.45 9.65 1.82 1.94 2.19 0.01 28.89 3.06 34 I E E 65.77 10.34 18.36 29.52 120.62 -152.56 -110.72 132.52 12.57 87.28 0.14 11.37 1.19 0.13 0.10 0.07 0.00 84.50 2.63 35 K E E 110.24 9.55 16.33 26.76 116.94 -150.83 -99.49 132.53 11.84 88.06 0.09 10.29 1.04 0.08 0.04 0.04 0.00 88.31 0.21 36 K E E 103.33 7.60 15.71 24.72 126.19 -166.91 -124.54 141.29 11.32 88.45 0.23 9.99 0.87 0.12 0.11 0.08 0.00 88.66 0.17 37 F E E 97.49 9.94 13.11 24.28 121.60 -154.69 -113.98 135.45 6.58 93.29 0.13 6.25 0.27 0.04 0.09 0.04 0.00 93.08 0.24 38 V E E 71.04 6.85 14.82 23.47 119.02 -158.47 -112.23 128.52 7.61 92.29 0.11 7.17 0.32 0.04 0.08 0.03 0.00 92.08 0.29 39 I E E 84.12 8.08 11.98 21.84 115.49 -149.75 -98.62 126.70 20.27 79.49 0.24 18.86 0.95 0.12 0.14 0.08 0.00 79.32 0.51 40 R C E 128.87 5.52 12.31 19.49 115.72 -165.71 -100.82 139.84 49.70 49.20 1.10 38.86 9.41 1.09 0.72 0.43 0.00 48.51 0.99 41 N C C 87.41 4.18 12.26 17.80 117.46 -117.04 -95.74 140.39 73.95 23.76 2.28 61.79 10.17 1.12 2.05 0.58 0.00 22.24 2.05 42 I H H 112.56 3.69 11.58 16.78 94.71 -122.52 -63.63 -36.56 10.59 0.63 88.78 5.27 2.59 3.68 85.63 2.24 0.02 0.45 0.12 43 V H H 99.93 1.77 13.66 15.35 93.62 52.80 -65.98 -39.80 6.91 0.60 92.49 3.10 1.27 3.16 88.89 2.92 0.03 0.53 0.09 44 E H H 94.12 4.09 13.48 18.84 93.70 50.52 -67.83 -38.26 5.36 0.70 93.94 2.83 0.91 2.27 89.34 3.86 0.03 0.69 0.08 45 A H H 39.05 6.89 11.61 20.54 93.13 54.83 -65.08 -39.89 5.05 0.45 94.50 2.49 0.78 2.17 90.93 3.14 0.02 0.42 0.06 46 A H H 60.04 2.80 14.98 18.33 92.95 53.01 -66.01 -37.31 10.03 0.82 89.15 3.32 1.21 5.75 85.19 3.60 0.05 0.76 0.12 47 A H H 61.50 3.04 14.09 17.93 94.05 53.89 -69.10 -34.70 17.21 1.70 81.10 4.95 1.85 10.22 77.22 3.82 0.07 1.65 0.22 48 V H H 72.67 6.55 11.89 19.85 98.32 54.54 -77.99 -26.89 22.84 5.24 71.92 10.36 3.44 9.38 67.36 4.05 0.09 4.66 0.66 49 R H H 145.25 3.45 13.66 18.38 96.02 73.66 -70.36 -34.56 33.88 5.22 60.90 15.18 5.41 12.61 57.27 4.23 0.09 4.42 0.78 50 D H H 90.30 2.82 13.42 16.96 99.35 51.35 -81.58 -5.22 44.01 3.54 52.45 23.57 4.73 14.86 49.22 4.16 0.03 2.73 0.70 51 I H H 83.58 6.87 10.12 18.51 96.24 94.25 -68.16 -34.79 26.77 2.19 71.04 15.48 4.84 8.21 61.41 7.91 0.07 1.51 0.56 52 S H H 74.98 3.02 12.36 16.57 94.66 57.02 -68.76 -32.12 26.10 1.63 72.27 10.73 4.22 11.79 60.95 10.56 0.14 1.15 0.46 53 E H H 141.63 1.41 13.10 14.49 95.04 51.58 -78.05 -20.22 29.85 1.15 69.00 7.82 5.53 16.99 57.46 10.82 0.22 0.70 0.45 54 A C H 57.65 5.59 10.19 17.42 103.06 66.00 -85.49 5.51 50.78 1.89 47.34 14.27 14.91 22.96 39.35 6.51 0.20 0.89 0.91 55 S C C 65.50 4.43 11.71 17.56 104.18 -138.70 -76.32 61.53 66.79 6.29 26.92 33.88 12.46 20.99 19.67 7.02 0.10 3.49 2.38 56 V C C 84.94 5.35 11.21 18.10 96.88 118.26 -73.79 -24.05 57.72 9.19 33.09 23.63 14.44 20.99 21.73 10.13 0.50 5.58 2.98 57 F C C 118.52 5.32 10.96 17.73 98.75 58.97 -77.81 -22.39 55.45 10.64 33.91 21.80 14.03 21.05 20.96 11.39 0.76 6.21 3.79 58 D C C 103.18 2.83 12.31 16.27 98.86 57.76 -80.00 -9.64 57.86 5.18 36.96 24.02 13.49 21.19 19.96 16.16 0.23 2.87 2.09 59 A C T 68.93 4.22 11.36 16.86 100.64 60.73 -84.96 -13.12 61.91 3.25 34.83 13.09 15.15 33.75 17.28 17.05 0.26 1.84 1.59 60 Y C T 142.45 4.86 11.35 17.66 107.40 45.08 -98.07 40.19 61.94 10.36 27.70 21.44 16.32 25.89 12.56 13.74 0.46 6.27 3.33 61 V C C 91.92 5.05 11.70 18.39 111.88 110.70 -97.66 110.49 64.94 20.90 14.16 39.20 16.76 9.40 8.45 5.92 0.33 11.74 8.21 62 L C C 80.93 8.45 10.12 19.99 116.20 -158.96 -95.86 130.63 81.08 15.06 3.86 57.13 21.13 2.93 2.45 1.73 0.01 10.33 4.28 63 P C C 79.16 5.38 12.70 19.70 108.37 -115.04 -67.75 146.22 80.70 9.12 10.18 54.41 12.89 13.29 2.57 7.76 0.00 7.40 1.69 64 K C S 139.58 3.92 14.02 19.19 100.59 -111.92 -76.79 0.03 76.01 10.32 13.67 17.71 32.96 27.45 2.31 9.89 0.04 8.11 1.52 65 L C E 76.25 9.23 13.25 23.43 108.94 76.16 -97.90 76.04 57.54 28.18 14.28 23.01 17.45 20.07 2.61 10.02 0.04 25.46 1.34 66 Y E E 88.30 11.39 14.94 27.10 123.00 117.18 -112.42 139.58 28.34 67.41 4.26 22.39 5.06 2.09 1.36 2.32 0.00 65.66 1.12 67 V E E 43.43 13.70 16.45 30.90 123.01 -166.68 -117.35 135.79 10.71 88.88 0.40 9.38 1.05 0.20 0.22 0.14 0.00 88.56 0.46 68 K E E 87.59 11.19 20.33 31.72 118.56 -147.97 -102.53 129.86 5.69 94.09 0.21 5.19 0.34 0.06 0.14 0.05 0.00 93.95 0.27 69 L E E 31.83 17.83 18.30 35.98 120.25 -156.66 -106.79 131.60 8.40 91.33 0.27 7.58 0.49 0.11 0.16 0.09 0.00 91.35 0.21 70 H E E 52.33 14.04 21.98 36.08 122.70 -163.68 -113.83 135.97 11.52 88.03 0.44 10.02 1.19 0.29 0.25 0.19 0.00 87.49 0.57 71 Y E E 37.94 18.57 20.10 38.20 126.29 -166.49 -116.79 139.86 26.18 72.86 0.96 22.83 2.24 0.46 0.65 0.36 0.00 72.17 1.28 72 C C C 23.10 14.97 21.74 36.98 111.14 -128.72 -89.91 122.33 60.22 38.34 1.44 57.82 1.66 0.42 1.03 0.39 0.00 36.82 1.87 73 V H H 36.85 16.99 19.23 36.05 94.45 -144.77 -67.24 -33.17 23.70 3.19 73.10 12.37 4.36 7.91 57.22 14.69 0.12 2.82 0.50 74 S H H 46.53 7.56 21.73 30.09 91.67 61.79 -64.18 -37.90 15.41 1.80 82.79 5.04 2.78 7.64 63.55 18.97 0.12 1.61 0.29 75 C H H 32.46 10.51 18.90 30.68 92.32 52.16 -67.38 -36.28 9.48 1.37 89.15 3.46 1.71 4.35 67.73 21.22 0.05 1.30 0.18 76 A H H 13.22 17.02 14.55 32.13 92.23 56.29 -65.36 -39.23 11.05 3.06 85.90 5.17 2.05 4.47 70.85 14.19 0.09 2.74 0.43 77 I H H 78.55 8.33 16.59 25.68 92.59 51.42 -67.11 -39.16 17.96 6.34 75.71 7.00 3.29 8.84 65.05 9.02 0.44 5.26 1.09 78 H H H 127.25 3.13 16.57 20.28 94.65 48.74 -75.68 -29.22 29.88 4.90 65.22 8.67 5.11 17.12 57.96 5.75 0.60 3.38 1.43 79 S C T 50.24 7.54 12.57 21.60 97.27 52.52 -88.55 -2.98 70.04 1.16 28.80 12.51 13.49 41.88 27.49 3.46 0.06 0.56 0.56 80 K C T 150.11 3.27 14.93 19.71 95.42 -127.57 60.50 24.34 76.82 2.09 21.08 14.86 14.84 45.61 18.84 3.71 0.09 1.21 0.84 81 V C C 66.53 8.48 14.51 24.17 100.99 123.04 -90.43 -17.17 66.54 10.04 23.41 24.01 22.66 20.63 18.83 4.37 0.51 5.72 3.28 82 V C C 52.94 13.92 11.76 25.59 118.46 60.52 -106.77 130.17 65.35 12.19 22.46 31.67 21.37 13.16 17.47 4.81 0.29 7.62 3.61 83 R C C 137.15 5.36 16.15 22.70 115.80 -144.52 -92.91 130.77 73.20 9.33 17.47 46.08 16.53 10.28 13.79 4.45 0.04 6.35 2.49 84 N C C 96.35 7.44 14.07 22.59 109.73 -119.18 -85.19 115.32 81.39 5.49 13.12 58.27 14.10 8.27 10.51 3.50 0.01 3.55 1.79 85 R C C 98.55 10.00 11.20 22.16 119.38 147.32 -95.60 144.81 87.89 3.40 8.71 70.87 12.78 3.46 8.08 1.51 0.00 1.80 1.49 86 S C C 51.85 4.66 13.57 19.76 114.58 -104.78 -72.74 147.19 89.76 1.52 8.72 84.44 3.42 1.66 8.40 0.76 0.00 0.62 0.70 87 R H H 153.05 3.43 12.10 17.26 93.22 -124.04 -61.38 -37.09 7.00 0.09 92.91 3.05 1.56 2.75 90.91 1.66 0.01 0.04 0.03 88 E H H 121.50 1.38 14.66 15.43 92.03 53.57 -64.78 -40.47 4.32 0.14 95.54 1.45 0.72 2.36 92.80 2.53 0.01 0.10 0.03 89 A H H 35.48 6.29 11.58 20.16 91.83 50.67 -64.38 -39.80 3.21 0.15 96.64 1.21 0.46 1.68 93.08 3.42 0.01 0.13 0.02 90 R H H 97.57 8.41 11.15 20.94 92.19 52.63 -64.66 -38.35 4.29 0.13 95.58 1.30 0.59 2.50 91.97 3.51 0.01 0.09 0.03 91 K H H 142.30 1.72 14.11 16.19 91.64 52.86 -68.18 -31.59 15.70 0.16 84.14 2.07 1.58 11.73 81.86 2.56 0.05 0.07 0.08 92 D H H 104.82 1.90 13.65 15.88 95.16 51.22 -87.21 -5.54 43.90 0.28 55.82 6.43 5.77 30.81 54.88 1.81 0.04 0.10 0.17 93 R C C 114.46 8.97 9.15 19.08 107.81 95.17 -80.86 106.22 85.88 2.30 11.82 52.91 18.38 13.91 10.57 1.69 0.01 0.77 1.76 94 T C C 89.69 3.35 11.61 16.68 117.52 -159.62 -99.89 133.71 96.03 3.55 0.43 71.06 24.02 0.84 0.28 0.13 0.00 1.06 2.61 95 P C C 91.10 4.19 9.51 15.78 115.77 -105.48 -67.54 148.18 99.59 0.37 0.04 89.58 9.81 0.24 0.01 0.01 0.00 0.15 0.19 96 P C C 93.35 3.62 9.38 14.94 114.48 -98.19 -66.20 149.01 99.93 0.05 0.01 99.38 0.47 0.10 0.00 0.00 0.00 0.02 0.02 97 P C C 110.37 2.06 12.25 15.50 109.65 -95.58 -67.02 145.86 99.96 0.03 0.01 99.76 0.14 0.07 0.00 0.00 0.00 0.01 0.01