# 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 R C C 119.68 9.42 19.61 29.48 119.81 -161.59 -106.29 134.94 98.88 1.07 0.05 98.92 0.25 0.06 0.02 0.01 0.00 0.47 0.26 1 I C C 45.56 16.94 12.61 29.17 113.62 -150.18 -97.28 125.70 83.26 9.80 6.94 76.08 2.18 4.74 2.34 3.91 0.00 4.18 6.57 2 A C T 62.49 9.41 13.40 23.49 107.81 -74.49 -61.17 124.08 88.89 1.76 9.35 5.24 7.47 75.71 1.18 8.42 0.01 1.05 0.92 3 G C T 57.79 2.42 16.04 18.82 97.44 14.52 84.06 -0.85 91.18 0.49 8.33 5.52 8.28 76.65 0.72 8.32 0.00 0.30 0.21 4 V C C 45.72 14.67 9.93 24.63 117.51 119.22 -97.31 136.73 92.86 3.02 4.12 74.59 14.25 3.54 0.91 3.48 0.00 1.37 1.85 5 D C C 113.07 2.20 20.08 22.22 105.76 -139.14 -92.29 85.03 95.31 3.72 0.97 88.22 4.83 2.26 0.31 0.66 0.00 1.70 2.02 6 I C C 23.21 21.13 9.52 29.60 118.27 135.26 -100.99 130.14 97.97 1.98 0.05 90.29 7.78 0.11 0.02 0.02 0.00 0.87 0.90 7 P C C 62.70 4.55 20.07 25.07 111.69 -110.84 -66.23 142.72 99.07 0.70 0.23 98.40 0.61 0.31 0.04 0.10 0.00 0.31 0.23 8 R C T 119.67 13.02 12.61 25.49 93.86 -128.65 -65.12 -24.75 98.56 0.31 1.14 2.13 11.82 84.68 0.15 0.90 0.00 0.18 0.14 9 D C T 108.72 2.88 18.44 21.70 96.11 58.05 -89.74 1.56 98.08 0.70 1.22 5.21 7.42 85.43 0.18 1.09 0.00 0.55 0.12 10 K C C 71.85 12.63 15.36 28.61 116.79 113.09 -80.46 140.74 94.92 4.35 0.74 79.74 15.01 0.53 0.35 0.37 0.00 3.05 0.95 11 R E B 106.87 10.85 22.28 32.99 116.34 -126.06 -86.56 132.39 23.68 75.65 0.67 22.68 0.86 0.17 0.61 0.11 0.00 23.94 51.63 12 V C C 6.51 25.06 17.85 42.77 118.26 -161.38 -111.20 130.22 52.16 39.95 7.89 48.61 2.51 1.09 6.53 1.65 0.00 32.08 7.53 13 V H H 28.01 18.16 23.38 40.18 103.08 -128.39 -76.82 66.97 26.47 9.16 64.37 21.70 2.76 3.64 44.16 18.45 0.02 8.48 0.79 14 I H H 47.91 14.54 24.53 38.62 94.57 58.64 -64.07 -35.23 5.78 0.92 93.30 1.68 0.95 3.20 46.77 46.28 0.01 1.07 0.05 15 S H G 14.10 18.86 23.17 41.53 91.84 61.67 -66.63 -28.81 3.28 0.18 96.54 0.78 0.40 1.95 45.52 51.15 0.00 0.20 0.01 16 L H G 3.84 25.68 19.23 45.13 91.37 62.00 -71.63 -22.07 2.53 0.04 97.43 0.38 0.25 1.71 40.62 57.00 0.00 0.04 0.00 17 T H G 38.10 16.86 21.52 37.83 91.27 68.88 -69.56 -18.59 18.21 0.20 81.59 1.28 1.30 14.48 28.96 53.72 0.04 0.13 0.08 18 Y H G 97.97 11.52 23.43 35.21 93.83 61.26 -87.32 -6.41 44.53 0.63 54.84 2.99 4.40 36.08 10.94 44.76 0.06 0.37 0.40 19 I C S 12.90 23.00 15.91 39.15 117.07 95.25 -88.69 135.54 87.64 10.55 1.81 12.50 71.93 1.67 1.11 0.31 0.01 2.20 10.27 20 F C T 91.64 11.78 22.45 34.05 108.84 -99.17 -65.04 127.71 97.87 0.81 1.33 0.64 7.61 90.12 0.35 0.55 0.00 0.34 0.40 21 G C T 36.94 8.43 22.19 31.28 95.21 15.94 84.87 -2.58 99.43 0.12 0.46 0.91 7.72 90.94 0.10 0.24 0.00 0.07 0.03 22 I C C 11.61 23.48 12.65 36.09 118.36 109.81 -105.60 129.06 86.06 13.34 0.60 59.64 21.55 1.31 0.36 0.25 0.00 2.46 14.42 23 G C C 28.08 6.01 23.57 29.53 127.08 -156.94 -94.52 169.29 99.22 0.46 0.32 97.24 1.89 0.17 0.28 0.03 0.00 0.13 0.27 24 R H H 125.30 11.84 16.19 28.10 91.99 -97.37 -59.90 -37.98 2.66 0.00 97.33 0.35 0.37 1.58 97.44 0.25 0.00 0.00 0.00 25 T H H 89.98 2.04 23.32 24.20 91.92 51.93 -64.30 -40.82 2.25 0.01 97.74 0.32 0.20 1.51 97.60 0.37 0.00 0.00 0.00 26 T H H 29.74 12.71 20.23 33.51 92.08 48.74 -66.14 -41.15 0.74 0.00 99.26 0.18 0.06 0.38 99.11 0.26 0.00 0.00 0.00 27 A H H 2.24 25.43 15.57 41.51 91.02 51.55 -62.53 -43.24 0.13 0.00 99.87 0.02 0.01 0.05 99.89 0.03 0.00 0.00 0.00 28 Q H H 77.35 10.06 23.32 33.30 91.28 51.01 -63.14 -41.59 0.05 0.00 99.95 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 Q H H 87.13 3.71 25.82 29.11 91.62 50.54 -64.15 -42.43 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 V H H 5.94 21.12 19.82 41.24 91.42 49.32 -64.10 -44.07 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 31 L H H 7.64 23.20 17.30 40.42 91.35 50.04 -62.93 -42.97 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 32 K H H 135.54 3.10 21.75 25.37 91.23 49.91 -62.50 -40.91 0.16 0.00 99.84 0.01 0.00 0.12 99.81 0.06 0.00 0.00 0.00 33 E H H 114.66 5.05 20.20 26.10 90.92 51.54 -65.62 -32.19 1.75 0.00 98.25 0.02 0.03 1.80 98.03 0.13 0.00 0.00 0.00 34 A C T 16.00 18.93 13.70 32.81 92.96 49.80 -85.88 -5.80 63.88 0.01 36.12 0.12 0.43 63.86 35.18 0.39 0.00 0.00 0.01 35 G C T 55.07 1.94 22.80 24.29 94.03 -111.30 75.17 21.43 99.89 0.00 0.11 0.63 0.44 98.89 0.04 0.01 0.00 0.00 0.00 36 V C C 12.70 23.19 9.97 32.44 121.42 139.74 -102.96 141.29 99.46 0.49 0.05 97.29 2.04 0.06 0.02 0.01 0.00 0.11 0.46 37 S C C 55.46 3.84 24.04 27.16 122.45 -131.26 -86.72 156.89 99.56 0.34 0.10 99.06 0.45 0.14 0.02 0.03 0.00 0.10 0.19 38 E C T 88.48 16.10 13.87 29.32 91.31 -115.31 -64.14 -23.41 99.58 0.13 0.29 0.99 4.78 93.88 0.03 0.21 0.00 0.07 0.05 39 D C T 110.12 2.16 20.75 22.94 93.76 57.96 -90.75 0.07 99.73 0.09 0.18 1.50 3.79 94.44 0.01 0.18 0.00 0.06 0.02 40 T C C 23.52 15.35 13.91 30.55 117.56 118.04 -70.98 143.67 99.13 0.84 0.03 71.13 27.99 0.15 0.01 0.02 0.00 0.36 0.34 41 R E B 84.73 7.82 24.16 32.35 118.64 -121.97 -81.96 148.40 20.51 79.45 0.04 17.74 0.23 0.00 0.03 0.00 0.00 4.38 77.61 42 V H G 7.56 25.18 13.54 39.34 90.90 -118.02 -58.44 -36.81 9.98 0.10 89.92 0.55 0.77 7.09 0.48 91.04 0.00 0.07 0.01 43 R H G 124.97 8.86 20.41 29.94 89.96 63.55 -67.21 -20.39 9.70 0.03 90.27 0.13 0.42 7.92 0.30 91.20 0.00 0.02 0.00 44 D H G 90.69 4.16 21.68 26.35 94.82 55.00 -92.97 -1.82 10.08 0.04 89.88 0.48 0.92 6.56 0.33 91.68 0.00 0.02 0.01 45 L C C 11.44 24.13 8.11 30.95 116.63 109.05 -74.93 138.07 99.35 0.42 0.23 72.58 26.43 0.17 0.09 0.10 0.00 0.07 0.55 46 T C C 65.95 3.03 21.02 23.34 124.07 -138.89 -88.42 167.34 99.58 0.28 0.14 98.92 0.62 0.03 0.11 0.01 0.00 0.05 0.26 47 E H H 135.91 4.05 14.44 20.58 90.88 -99.23 -58.47 -38.46 1.08 0.00 98.92 0.15 0.17 0.64 98.67 0.37 0.00 0.00 0.00 48 E H H 136.06 1.24 18.89 18.76 91.36 52.56 -64.33 -39.74 0.48 0.00 99.52 0.05 0.03 0.33 99.13 0.46 0.00 0.00 0.00 49 E H H 37.97 14.73 15.95 31.15 92.06 48.59 -66.38 -40.20 0.23 0.00 99.77 0.03 0.01 0.15 99.25 0.55 0.00 0.00 0.00 50 L H H 18.80 19.14 15.30 34.46 91.36 52.18 -62.51 -42.55 0.12 0.00 99.88 0.01 0.00 0.07 99.80 0.11 0.00 0.00 0.00 51 G H H 32.83 3.27 22.46 25.42 91.17 51.27 -62.77 -41.69 0.63 0.00 99.37 0.04 0.02 0.51 99.33 0.10 0.00 0.00 0.00 52 K H H 92.63 5.53 22.42 28.20 91.61 50.36 -64.93 -40.96 1.11 0.00 98.89 0.05 0.03 0.93 98.88 0.11 0.00 0.00 0.00 53 I H H 4.17 24.60 16.09 41.01 91.72 50.35 -63.93 -42.89 0.38 0.00 99.62 0.05 0.02 0.24 99.60 0.08 0.00 0.00 0.00 54 R H H 93.30 12.60 20.45 32.63 91.32 52.51 -61.97 -41.46 0.14 0.00 99.86 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 55 D H H 84.77 1.84 23.32 23.04 91.61 50.15 -64.36 -41.30 0.22 0.00 99.78 0.02 0.01 0.13 99.74 0.10 0.00 0.00 0.00 56 I H H 30.21 12.27 18.08 31.63 91.93 49.47 -64.79 -42.14 0.38 0.00 99.62 0.03 0.02 0.26 99.50 0.19 0.00 0.00 0.00 57 I H H 12.79 22.16 13.00 34.80 91.93 50.87 -65.43 -39.18 1.57 0.00 98.43 0.14 0.09 1.17 97.97 0.63 0.00 0.00 0.00 58 D H H 99.58 3.88 17.44 22.60 91.11 55.10 -67.73 -25.44 19.72 0.02 80.26 0.67 0.67 18.02 79.53 1.08 0.01 0.00 0.01 59 K H H 150.50 1.49 17.95 18.58 93.99 51.60 -83.46 -13.96 47.83 0.07 52.11 2.60 3.01 40.01 52.74 1.57 0.01 0.02 0.05 60 L C C 41.47 17.71 9.50 26.19 116.51 90.53 -88.67 133.53 87.25 1.07 11.68 58.21 19.88 8.17 10.98 1.73 0.00 0.45 0.57 61 K C C 150.49 2.32 19.41 22.21 111.60 -142.42 -93.34 117.20 90.29 6.03 3.67 85.81 2.32 2.47 2.67 0.84 0.00 3.91 1.98 62 V C C 39.76 18.70 9.32 26.75 119.79 -170.33 -108.03 132.03 83.25 12.35 4.40 76.94 3.91 2.02 3.82 1.00 0.00 7.64 4.67 63 E C C 127.97 3.22 16.76 21.04 116.45 -158.31 -101.10 139.00 79.18 7.94 12.88 63.38 7.89 6.66 12.02 2.25 0.01 5.73 2.04 64 G C C 40.15 4.70 16.17 21.90 125.94 38.09 110.57 -171.11 68.84 2.95 28.22 31.06 22.71 15.10 24.73 3.87 0.05 1.51 0.97 65 D C C 84.55 4.54 17.48 22.53 106.64 -46.11 -82.79 101.48 58.76 1.16 40.08 42.54 6.43 8.44 38.68 2.90 0.00 0.56 0.45 66 L H H 40.52 17.47 12.53 29.54 94.64 -164.04 -65.58 -34.62 15.25 0.23 84.53 10.16 2.07 3.68 82.10 1.81 0.00 0.11 0.08 67 R H H 120.83 8.54 17.18 26.52 91.81 56.29 -62.61 -40.66 4.24 0.07 95.69 2.28 0.59 1.48 94.55 1.04 0.00 0.04 0.02 68 R H H 142.11 2.27 20.14 21.89 92.20 49.87 -65.89 -40.06 2.38 0.05 97.57 1.18 0.33 0.95 96.69 0.81 0.00 0.03 0.01 69 E H H 73.66 8.85 19.00 28.61 92.34 50.29 -65.60 -41.11 1.74 0.03 98.23 0.79 0.23 0.75 97.73 0.48 0.00 0.01 0.01 70 V H H 19.82 18.04 16.48 34.59 91.91 49.70 -64.13 -42.61 1.80 0.02 98.17 0.77 0.21 0.79 97.89 0.32 0.00 0.01 0.01 71 S H H 45.73 7.00 20.75 28.44 91.77 51.34 -63.34 -41.85 1.73 0.01 98.26 0.63 0.15 0.79 98.19 0.23 0.00 0.00 0.00 72 L H H 76.07 3.50 22.65 25.78 91.81 50.31 -64.21 -41.44 0.98 0.00 99.02 0.24 0.08 0.55 98.96 0.16 0.00 0.00 0.00 73 N H H 30.99 15.06 19.73 34.85 91.89 50.48 -64.80 -41.20 0.97 0.00 99.03 0.17 0.06 0.61 99.03 0.13 0.00 0.00 0.00 74 I H H 26.59 18.00 18.46 36.20 91.83 50.80 -63.92 -41.77 0.41 0.00 99.59 0.05 0.02 0.24 99.61 0.06 0.00 0.00 0.00 75 K H H 118.71 3.10 23.71 26.40 91.60 51.10 -63.64 -41.36 0.24 0.00 99.76 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 76 R H H 99.07 6.32 21.81 28.59 91.80 49.56 -65.25 -40.85 0.36 0.00 99.63 0.03 0.02 0.26 99.61 0.08 0.00 0.00 0.00 77 L H H 12.40 19.96 14.89 35.06 92.18 51.13 -63.83 -41.72 0.33 0.00 99.67 0.04 0.02 0.20 99.61 0.13 0.00 0.00 0.00 78 I H H 72.18 10.76 17.59 28.72 92.26 50.28 -64.62 -40.71 0.56 0.00 99.43 0.07 0.03 0.37 99.23 0.30 0.00 0.00 0.00 79 E H H 137.24 1.82 20.40 21.68 91.98 51.84 -66.36 -33.47 2.81 0.00 97.18 0.10 0.12 2.46 97.05 0.27 0.00 0.00 0.00 80 I H H 66.45 10.36 16.09 27.29 95.11 47.55 -87.21 -11.14 27.39 0.03 72.57 0.44 1.28 25.02 72.77 0.44 0.02 0.01 0.02 81 G C T 36.80 7.97 19.50 28.20 98.98 -109.98 82.45 14.34 98.61 0.10 1.30 19.09 7.71 71.80 1.12 0.19 0.00 0.04 0.05 82 S C C 20.62 15.30 15.90 31.82 121.44 152.08 -79.66 156.07 95.66 1.36 2.97 77.88 16.40 0.74 2.95 0.31 0.00 0.28 1.44 83 Y H H 97.55 11.44 21.19 32.98 92.67 -111.05 -62.63 -36.41 8.82 0.04 91.14 1.12 2.08 5.71 90.13 0.89 0.02 0.01 0.02 84 R H H 87.45 12.18 21.61 33.41 92.00 55.44 -64.48 -41.37 3.42 0.01 96.57 0.31 0.33 2.67 95.90 0.78 0.01 0.00 0.00 85 G H H 7.10 13.70 17.77 33.17 91.78 51.65 -63.46 -42.64 1.91 0.02 98.08 0.38 0.20 1.17 97.17 1.07 0.00 0.01 0.00 86 I H H 41.64 9.21 19.93 30.56 91.75 49.87 -64.43 -42.69 1.30 0.01 98.68 0.27 0.16 0.75 98.07 0.73 0.00 0.00 0.00 87 R H H 60.93 9.66 17.66 28.68 92.37 50.04 -64.44 -42.49 1.72 0.02 98.26 0.37 0.20 1.05 97.52 0.84 0.01 0.01 0.01 88 H H H 69.23 11.41 15.38 27.43 92.36 49.69 -64.92 -41.01 2.24 0.02 97.75 0.28 0.15 1.63 96.04 1.88 0.00 0.01 0.00 89 R H H 131.60 6.90 16.22 24.36 91.37 51.80 -66.22 -31.07 8.53 0.02 91.45 0.33 0.39 7.80 89.66 1.78 0.02 0.01 0.01 90 R C T 135.48 4.42 15.43 20.83 93.77 49.94 -89.84 0.96 67.63 0.03 32.35 0.41 1.19 66.60 30.20 1.57 0.01 0.01 0.03 91 G C T 56.41 2.11 16.53 19.09 95.65 -105.71 82.06 11.55 99.73 0.00 0.27 1.50 1.34 97.00 0.12 0.03 0.00 0.00 0.00 92 L C C 56.59 10.37 11.09 23.12 116.72 142.20 -89.07 136.91 99.77 0.20 0.03 93.30 6.39 0.09 0.01 0.01 0.00 0.06 0.15 93 P C C 73.35 5.15 17.90 23.91 112.51 -105.84 -65.97 146.70 98.75 0.86 0.39 94.69 3.31 0.73 0.11 0.20 0.00 0.30 0.65 94 V C C 49.81 16.18 11.42 26.91 110.96 -146.12 -97.51 134.36 85.11 11.91 2.98 66.64 12.67 3.59 1.18 1.67 0.00 2.76 11.47 95 R C T 146.94 5.29 16.14 22.53 108.16 -25.50 -76.39 115.16 87.44 4.13 8.43 18.54 26.07 43.27 2.75 4.98 0.02 2.00 2.36 96 G C T 48.08 4.97 14.49 20.56 99.66 4.31 81.30 -1.52 88.30 1.56 10.14 17.69 26.35 44.95 3.35 5.97 0.01 0.71 0.97 97 Q C C 98.47 6.62 13.11 20.99 102.04 111.80 -82.50 -11.42 78.70 2.42 18.88 39.70 23.74 15.83 10.82 7.21 0.02 0.93 1.76 98 N C C 90.47 5.77 13.92 20.88 104.43 67.09 -89.27 35.91 74.13 2.49 23.38 45.13 15.00 14.25 16.65 6.35 0.01 1.07 1.54 99 S C H 51.29 8.83 12.13 22.03 99.64 125.03 -76.11 -25.30 56.02 1.98 42.01 32.19 13.18 11.91 32.40 8.34 0.03 0.90 1.04 100 K H H 132.11 3.61 15.14 19.74 96.92 58.13 -71.73 -31.80 47.32 1.24 51.45 21.52 12.52 15.01 41.23 8.48 0.05 0.59 0.60 101 N H H 89.88 4.69 14.20 20.01 99.25 52.77 -76.22 -25.70 48.61 1.02 50.37 23.80 11.47 14.93 40.71 8.05 0.04 0.45 0.56 102 N H H 70.19 7.90 12.34 21.56 99.06 65.94 -81.50 -15.92 47.01 1.12 51.88 27.26 9.34 11.98 41.85 8.45 0.02 0.49 0.60 103 A H H 55.42 6.93 11.82 20.24 97.57 72.99 -70.23 -25.61 43.99 1.16 54.85 22.60 8.85 13.64 41.10 12.66 0.03 0.56 0.56 104 R H H 153.43 2.97 12.67 16.80 97.50 63.66 -77.29 -17.60 48.82 1.58 49.60 22.27 11.22 16.62 36.33 11.99 0.04 0.80 0.73 105 T C C 85.99 4.46 10.38 16.40 102.91 66.19 -88.10 1.89 57.45 2.36 40.20 29.82 12.15 17.00 28.69 9.99 0.03 1.13 1.19 106 R C C 147.41 4.67 8.94 15.39 110.25 111.19 -80.98 128.57 82.30 1.23 16.47 69.00 4.08 9.15 13.48 2.95 0.00 0.55 0.80 107 K C C 153.80 2.38 12.98 16.58 104.50 -129.58 -78.00 71.49 99.88 0.04 0.07 99.61 0.13 0.18 0.04 0.01 0.00 0.02 0.01