# 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 86.16 4.84 11.59 17.99 117.75 -159.63 -98.07 143.35 99.91 0.07 0.02 99.83 0.09 0.03 0.01 0.00 0.00 0.03 0.01 1 K C C 135.83 3.64 10.00 15.41 113.98 -122.62 -93.64 131.31 85.64 6.95 7.42 82.02 1.76 2.25 5.78 1.29 0.00 3.42 3.48 2 K C C 137.91 3.19 9.44 14.47 112.07 -128.00 -81.55 137.46 75.87 9.37 14.76 58.69 10.48 5.95 10.28 4.92 0.01 5.62 4.04 3 R C C 150.50 4.30 9.52 15.49 109.54 -125.05 -81.56 123.41 69.78 10.23 20.00 49.49 10.97 8.64 11.15 9.18 0.03 6.56 4.00 4 R C C 150.37 3.71 11.58 16.78 110.76 -130.74 -89.90 121.89 65.28 12.15 22.57 37.51 14.83 13.33 11.19 10.79 0.15 7.77 4.43 5 N C C 82.10 7.56 10.05 18.96 110.52 62.08 -95.82 104.49 70.52 11.23 18.24 38.62 16.08 16.17 8.21 9.18 0.10 7.09 4.54 6 N C C 97.56 4.89 12.01 18.34 102.59 151.80 -95.91 28.52 82.18 6.35 11.48 38.60 21.97 22.55 4.70 5.87 0.03 3.35 2.94 7 G C T 45.45 5.39 12.04 18.64 101.62 -109.99 72.01 -25.63 81.07 2.38 16.55 18.62 27.97 35.60 4.50 10.81 0.02 1.21 1.27 8 R C T 153.39 3.30 13.65 17.92 102.44 63.04 -88.46 -2.71 69.89 7.04 23.07 23.95 22.77 24.74 6.65 14.55 0.19 3.86 3.28 9 A C C 50.75 8.66 9.75 19.66 114.01 90.47 -86.83 135.31 66.20 11.77 22.02 36.64 15.31 14.80 6.87 14.71 0.10 7.39 4.18 10 K C C 134.92 3.74 12.15 17.42 113.49 -136.92 -94.37 130.68 67.40 14.97 17.62 38.82 15.01 13.53 6.36 11.21 0.11 9.48 5.47 11 K C T 146.71 2.95 10.90 15.32 112.56 -108.88 -87.61 129.27 73.57 12.16 14.27 22.14 21.27 31.07 4.08 9.49 0.21 7.42 4.32 12 G C T 52.12 3.06 11.25 15.44 110.83 10.06 80.31 -73.22 86.63 4.72 8.65 19.84 25.66 40.77 1.28 7.82 0.01 3.12 1.51 13 R C T 173.12 2.12 10.92 14.26 105.16 -19.89 -87.38 46.31 84.56 5.19 10.25 22.46 25.93 36.02 1.28 9.15 0.01 2.75 2.40 14 G C T 47.63 4.45 12.13 17.93 103.64 -25.88 81.48 -1.00 86.62 6.61 6.76 22.01 31.54 33.05 0.67 6.45 0.01 4.26 2.01 15 H C C 106.49 6.26 12.65 20.39 112.71 108.43 -93.62 124.03 80.42 15.84 3.74 40.72 27.17 12.61 0.70 3.40 0.01 9.16 6.24 16 V C C 64.83 10.86 12.53 24.31 116.25 -156.40 -98.85 130.00 77.73 21.53 0.75 62.78 12.37 1.59 0.26 0.53 0.00 10.16 12.31 17 Q C C 96.16 6.36 18.10 25.35 120.15 -147.12 -101.45 140.64 90.57 9.39 0.04 83.81 6.95 0.14 0.01 0.03 0.00 7.94 1.12 18 P C C 56.90 11.95 16.92 29.28 115.48 -103.65 -67.88 148.17 85.75 14.21 0.03 82.62 3.24 0.12 0.00 0.03 0.00 13.07 0.92 19 I E E 31.09 16.54 16.37 33.52 121.75 -150.01 -111.99 136.06 17.19 82.79 0.01 16.25 0.98 0.02 0.00 0.01 0.00 79.26 3.48 20 R E E 111.72 7.88 21.63 30.03 116.95 -133.95 -96.79 131.76 5.36 94.62 0.01 5.27 0.15 0.00 0.01 0.00 0.00 73.91 20.65 21 C C C 13.00 19.51 12.14 32.38 109.59 -119.38 -72.34 127.08 76.58 23.39 0.03 78.29 0.47 0.04 0.01 0.02 0.00 19.47 1.70 22 T C T 70.43 7.70 18.44 27.26 93.58 -150.76 -70.76 -24.27 99.44 0.31 0.25 0.90 9.33 89.14 0.00 0.31 0.00 0.24 0.06 23 N C T 91.36 6.01 17.40 24.13 100.94 42.09 -88.34 -39.42 99.56 0.14 0.29 0.21 5.66 93.69 0.01 0.32 0.00 0.08 0.03 24 C C T 58.20 7.09 15.82 23.99 102.98 16.84 -113.39 -9.10 99.45 0.25 0.31 3.21 16.08 80.04 0.01 0.41 0.00 0.15 0.09 25 A C C 57.77 9.17 15.51 25.66 95.69 -129.54 71.75 10.71 98.89 1.00 0.10 82.30 12.39 4.20 0.02 0.10 0.00 0.57 0.42 26 R C C 107.56 6.11 19.82 26.99 121.52 132.36 -85.35 148.64 86.16 13.81 0.03 79.59 7.04 0.13 0.01 0.03 0.00 11.82 1.38 27 C E E 50.37 13.61 18.06 31.82 115.27 -111.77 -78.82 137.77 3.92 96.07 0.01 3.38 0.47 0.02 0.01 0.00 0.00 67.14 28.97 28 V E E 15.81 17.94 15.28 33.90 129.33 -173.57 -129.42 146.64 35.31 64.68 0.01 33.91 1.40 0.02 0.00 0.00 0.00 62.89 1.77 29 P C C 49.30 6.13 20.71 27.87 113.06 -101.20 -63.87 142.44 61.37 38.60 0.03 62.64 0.84 0.03 0.01 0.02 0.00 33.95 2.52 30 K H G 92.74 14.27 12.45 26.58 91.46 -120.30 -58.18 -36.30 39.28 0.47 60.26 1.68 4.11 32.11 2.15 59.55 0.00 0.31 0.10 31 D H G 119.29 1.30 18.87 19.39 90.81 61.33 -69.57 -17.23 38.53 0.41 61.05 0.82 3.01 33.77 3.41 58.63 0.00 0.25 0.10 32 K H G 107.30 6.73 16.95 24.69 96.39 52.39 -96.78 -2.69 34.17 0.96 64.87 3.22 5.10 25.70 6.45 58.69 0.00 0.65 0.18 33 A C C 16.24 21.03 10.74 30.68 114.80 97.48 -81.46 137.67 65.44 25.45 9.11 48.40 12.38 4.14 5.61 3.87 0.03 21.62 3.94 34 I E E 68.86 9.99 17.19 28.10 119.40 -150.16 -106.47 132.42 23.02 76.34 0.64 19.19 3.42 0.58 0.43 0.34 0.00 71.92 4.12 35 K E E 117.98 8.15 15.56 24.97 116.67 -152.32 -97.70 132.34 20.25 79.43 0.32 16.81 2.51 0.30 0.13 0.16 0.00 79.69 0.39 36 K E E 109.91 6.36 14.94 22.90 125.65 -170.19 -124.06 141.10 15.26 84.34 0.40 12.91 1.73 0.26 0.17 0.17 0.00 84.45 0.31 37 F E E 107.71 8.84 11.97 22.21 121.81 -152.38 -112.74 135.89 8.64 91.17 0.19 8.12 0.43 0.07 0.11 0.06 0.00 90.79 0.41 38 V E E 75.02 6.40 13.36 21.66 119.46 -158.98 -111.29 129.84 10.24 89.62 0.14 9.61 0.45 0.06 0.09 0.04 0.00 89.34 0.41 39 I E E 98.66 6.07 11.84 19.82 114.89 -146.78 -98.08 125.73 24.51 75.15 0.33 22.21 1.52 0.22 0.18 0.13 0.00 75.13 0.62 40 R C E 125.78 5.74 10.99 18.52 119.69 -170.32 -107.08 142.58 54.61 44.44 0.95 43.78 9.17 0.94 0.64 0.36 0.00 44.05 1.06 41 N C C 90.08 3.65 11.88 16.88 116.52 -116.84 -86.49 148.13 74.98 23.71 1.30 67.36 6.50 0.62 1.16 0.34 0.00 21.48 2.54 42 I H H 117.28 3.12 10.95 15.60 93.81 -115.84 -62.26 -37.97 7.29 0.36 92.35 3.53 1.80 2.74 90.19 1.42 0.01 0.22 0.08 43 V H H 103.20 1.45 13.27 14.42 93.10 52.78 -66.09 -40.28 4.43 0.31 95.26 1.87 0.81 2.17 93.03 1.79 0.02 0.25 0.05 44 E H H 94.83 3.65 13.30 18.17 93.49 50.20 -67.24 -38.95 3.12 0.43 96.45 1.54 0.55 1.47 93.39 2.56 0.02 0.41 0.05 45 A H H 38.58 6.64 11.40 20.14 92.76 53.82 -65.07 -40.32 3.11 0.28 96.62 1.37 0.48 1.53 94.30 2.02 0.02 0.24 0.04 46 A H H 60.09 2.68 14.71 17.91 92.85 52.57 -65.96 -37.57 8.15 0.45 91.39 2.18 0.87 5.29 88.73 2.41 0.05 0.38 0.09 47 A H H 63.43 2.63 14.07 17.26 94.06 53.30 -68.82 -36.44 16.76 0.82 82.43 3.51 1.47 11.58 80.05 2.49 0.07 0.68 0.16 48 V H H 75.51 5.91 12.09 19.40 98.65 54.58 -77.53 -28.08 25.61 3.88 70.51 10.12 3.70 12.02 67.15 3.11 0.12 3.10 0.67 49 R H H 142.53 3.59 13.50 18.36 96.20 69.59 -70.63 -35.36 35.17 4.44 60.38 15.75 5.30 13.39 57.36 3.79 0.08 3.53 0.79 50 D H H 90.76 2.79 13.55 17.03 98.18 51.55 -79.19 -15.90 43.39 3.07 53.54 22.30 4.63 15.62 50.48 4.03 0.03 2.27 0.66 51 I H H 88.29 5.81 10.96 18.34 96.12 76.25 -68.34 -35.61 26.97 2.08 70.95 15.74 4.82 8.02 61.95 7.47 0.06 1.40 0.53 52 S H H 70.74 3.54 12.66 17.40 95.14 57.07 -69.33 -34.20 25.81 1.73 72.46 11.38 4.27 10.99 61.73 9.81 0.12 1.21 0.48 53 E H H 136.22 1.73 13.44 15.39 95.01 52.43 -76.34 -23.47 29.22 1.28 69.50 8.31 5.53 16.06 58.56 10.08 0.19 0.79 0.47 54 A H H 57.19 5.47 10.76 17.85 102.39 61.80 -82.76 3.43 47.54 2.16 50.30 14.63 12.85 21.62 41.80 6.82 0.24 1.08 0.97 55 S C C 61.70 4.89 11.70 18.12 105.18 -133.23 -81.04 37.78 63.31 7.72 28.97 33.31 11.02 19.57 22.09 6.67 0.12 4.58 2.65 56 V C C 86.45 5.42 10.96 17.91 98.42 115.54 -76.40 -23.47 59.09 13.03 27.88 25.23 15.00 20.20 19.45 7.60 0.51 8.12 3.89 57 F C C 128.24 4.16 11.00 16.56 100.02 57.76 -80.96 -12.23 58.74 15.49 25.77 22.74 16.55 21.14 16.85 7.70 0.81 9.03 5.18 58 D C C 100.90 2.94 11.54 15.69 100.24 53.84 -83.50 -4.37 67.55 7.91 24.53 31.49 17.21 20.09 14.86 8.91 0.19 4.36 2.91 59 A C T 70.81 4.20 10.74 16.28 101.69 65.17 -84.60 -6.23 71.90 3.04 25.07 12.71 18.83 40.61 12.99 11.56 0.16 1.72 1.43 60 Y C T 153.61 3.75 11.18 16.44 106.32 49.27 -94.80 34.87 68.10 9.65 22.25 17.68 17.66 33.80 10.77 10.61 0.40 6.07 3.02 61 V C C 93.34 4.61 11.42 17.67 111.97 113.45 -97.25 112.80 61.23 22.50 16.28 33.48 17.52 11.27 9.73 6.48 0.63 12.68 8.20 62 L C C 75.47 8.84 9.28 19.48 117.37 -133.83 -96.29 134.42 78.37 15.53 6.10 51.88 23.44 3.39 4.56 1.99 0.02 10.30 4.39 63 P C C 75.48 5.00 12.57 19.25 110.58 -108.84 -67.14 145.85 80.02 8.80 11.18 61.97 9.41 8.15 4.88 6.53 0.00 6.95 2.10 64 K C T 138.38 4.19 12.38 18.06 97.64 -119.51 -70.11 -20.66 60.99 7.09 31.92 16.92 21.35 25.38 8.57 21.07 0.14 4.89 1.67 65 L C T 100.69 5.14 13.14 19.56 99.39 64.05 -80.98 -9.84 52.98 15.81 31.21 15.88 16.68 23.66 8.57 20.22 0.17 13.01 1.81 66 Y E E 102.51 9.32 13.82 24.06 104.68 60.06 -98.45 11.53 35.84 36.43 27.74 20.39 9.10 9.85 8.95 16.27 0.07 33.54 1.84 67 V E E 46.00 13.87 13.72 28.12 119.18 98.15 -104.10 132.93 31.21 61.36 7.43 23.52 5.67 2.10 5.11 2.40 0.01 59.82 1.37 68 K E E 92.46 9.68 19.82 29.93 118.65 -157.20 -102.27 131.81 18.46 77.23 4.30 15.18 1.97 0.87 3.40 1.01 0.00 76.58 1.00 69 L E E 44.64 16.73 18.07 34.52 119.32 -149.49 -101.53 131.49 17.41 79.32 3.27 15.06 1.28 0.58 2.83 0.65 0.00 78.96 0.64 70 H E E 51.89 14.42 20.93 35.36 124.20 -168.13 -117.41 137.98 15.56 82.20 2.24 13.06 1.76 0.72 1.84 0.61 0.00 80.78 1.22 71 Y E E 48.55 17.25 20.38 37.17 123.82 -158.38 -113.49 138.48 27.11 70.47 2.42 22.95 2.74 0.89 1.81 0.78 0.00 68.94 1.89 72 C C C 21.85 16.07 21.25 37.29 111.75 -130.94 -90.21 124.79 61.41 35.70 2.89 58.95 1.80 0.59 2.41 0.59 0.00 33.64 2.03 73 V H H 39.62 16.60 19.69 35.93 95.03 -147.55 -66.35 -34.06 16.13 2.04 81.83 7.92 3.10 6.16 68.60 12.00 0.08 1.82 0.32 74 S H H 46.19 7.69 21.97 30.36 91.72 57.63 -64.10 -39.17 9.92 1.05 89.03 2.96 1.72 5.32 72.91 15.89 0.08 0.96 0.16 75 C H H 33.12 10.59 19.30 31.00 92.16 51.22 -66.83 -38.29 6.29 0.69 93.02 1.93 1.11 3.23 75.25 17.75 0.03 0.62 0.09 76 A H H 12.11 16.94 14.98 32.59 92.00 54.70 -65.27 -39.40 9.03 2.57 88.40 3.95 1.70 3.95 76.17 11.65 0.09 2.06 0.43 77 I H H 74.91 8.80 16.92 26.43 92.54 52.03 -66.78 -39.35 16.27 5.60 78.13 5.78 2.88 8.91 69.76 6.84 0.45 4.35 1.03 78 H H H 123.90 3.43 16.96 21.07 93.96 49.07 -73.37 -27.52 28.47 4.21 67.31 7.18 4.56 17.64 61.80 4.16 0.59 2.89 1.18 79 S C T 47.90 8.16 12.68 22.23 97.29 54.28 -87.44 -0.88 67.79 1.17 31.04 8.93 12.83 43.30 30.15 3.36 0.27 0.56 0.59 80 K C T 148.74 3.28 15.90 20.51 95.13 -125.67 61.15 21.04 73.46 1.47 25.08 8.31 11.69 50.92 23.38 3.83 0.35 0.82 0.71 81 V C T 61.40 9.40 14.55 25.05 99.27 117.41 -88.06 -19.71 65.90 7.54 26.56 16.45 20.21 29.46 21.64 4.66 0.68 4.23 2.67 82 V C C 50.97 14.30 12.04 26.18 114.78 64.82 -103.49 130.67 63.97 10.97 25.06 25.46 22.90 16.71 19.49 4.95 0.51 6.34 3.64 83 R C C 137.61 5.25 16.31 22.62 113.32 -139.47 -94.29 127.12 72.44 9.08 18.48 41.45 18.70 12.24 14.73 4.40 0.07 5.65 2.75 84 N C C 93.89 7.57 13.63 22.38 109.25 -128.18 -85.67 116.87 83.18 4.98 11.84 59.70 14.15 8.47 9.74 3.07 0.00 3.15 1.70 85 R C C 107.57 8.84 11.27 21.27 117.85 157.75 -95.77 141.48 87.92 3.01 9.08 68.34 14.33 4.42 8.32 1.62 0.00 1.56 1.41 86 S C C 52.72 4.27 13.29 19.03 115.01 -106.90 -75.03 150.00 88.63 1.46 9.91 80.50 5.42 2.06 9.82 0.88 0.00 0.57 0.76 87 R H H 153.94 3.34 11.70 16.80 93.09 -120.64 -61.13 -37.27 9.91 0.13 89.96 3.88 2.37 4.25 86.53 2.85 0.01 0.06 0.05 88 E H H 123.40 1.34 14.17 15.00 92.13 53.50 -65.00 -40.23 6.77 0.16 93.07 1.99 1.14 3.91 88.55 4.24 0.02 0.10 0.04 89 A H H 38.75 5.68 11.43 19.33 91.89 50.52 -64.72 -39.33 5.40 0.19 94.41 1.95 0.82 2.84 88.83 5.36 0.01 0.15 0.03 90 R H H 99.12 7.72 10.91 20.13 92.12 52.73 -66.18 -36.86 7.38 0.19 92.43 2.49 1.10 4.02 87.30 4.90 0.02 0.12 0.05 91 K H H 139.82 1.84 13.66 16.04 92.07 54.44 -67.95 -30.45 22.47 0.29 77.25 3.87 2.83 15.76 73.61 3.59 0.07 0.13 0.15 92 D C H 104.26 1.94 13.25 15.66 95.79 51.77 -86.24 -5.45 51.97 0.40 47.63 11.03 7.70 32.36 46.09 2.40 0.03 0.14 0.24 93 R C C 123.78 7.76 9.45 18.39 103.17 87.33 -79.31 6.43 86.28 2.37 11.35 52.87 19.65 13.13 9.87 1.81 0.01 0.78 1.89 94 T C C 87.12 3.53 11.75 17.01 118.16 110.11 -100.41 133.52 97.06 2.50 0.44 67.52 28.66 0.83 0.26 0.13 0.00 0.82 1.78 95 P C C 92.16 3.52 11.38 16.75 117.02 -105.44 -67.76 148.97 99.62 0.32 0.06 89.20 10.12 0.31 0.02 0.03 0.00 0.12 0.20 96 P C C 79.71 5.86 9.59 17.41 116.18 -100.35 -65.99 151.05 99.66 0.16 0.18 93.46 5.29 0.91 0.04 0.12 0.00 0.06 0.12 97 P C C 93.67 3.52 10.63 15.97 112.69 -98.70 -66.23 147.89 97.74 0.35 1.91 78.64 9.84 8.70 0.24 2.19 0.00 0.17 0.22 98 R C C 176.98 2.06 9.88 13.60 107.05 -122.40 -81.60 105.93 94.69 2.61 2.71 57.21 23.98 12.79 0.36 2.97 0.00 1.28 1.41 99 F C C 138.61 4.53 7.16 13.39 110.44 -128.52 -91.05 112.59 92.74 5.39 1.87 67.35 18.82 5.71 0.38 1.81 0.00 2.49 3.46 100 R C C 168.75 1.82 8.26 11.84 118.49 -153.51 -103.27 135.42 98.28 1.66 0.06 96.02 2.36 0.18 0.02 0.02 0.00 0.85 0.56 101 P C C 106.73 2.39 10.77 14.80 110.89 -100.81 -65.35 145.22 99.93 0.06 0.01 99.78 0.13 0.05 0.00 0.00 0.00 0.02 0.01