# 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 A C C 22.58 18.88 17.00 35.19 120.60 -157.75 -96.08 140.17 99.76 0.22 0.02 99.66 0.14 0.05 0.01 0.00 0.00 0.13 0.02 1 R E C 122.00 7.61 20.68 29.09 122.07 -151.95 -112.08 136.33 49.10 50.31 0.59 46.57 1.58 0.42 0.37 0.24 0.00 33.84 16.99 2 I E E 25.43 20.41 12.65 32.47 117.28 -157.02 -111.46 123.98 25.09 73.41 1.50 15.90 4.88 1.48 1.07 0.67 0.02 41.42 34.57 3 A C T 52.56 11.67 15.69 27.97 95.26 -18.67 52.95 45.74 97.23 1.20 1.57 0.92 3.13 93.71 0.16 1.04 0.00 0.73 0.31 4 G C T 58.84 2.30 17.89 20.27 95.27 -46.02 81.86 2.46 98.95 0.29 0.77 0.93 3.58 94.57 0.05 0.61 0.00 0.20 0.05 5 I E E 42.98 15.60 11.08 26.99 121.21 114.95 -104.86 135.83 30.79 68.63 0.58 19.23 9.14 1.92 0.31 0.40 0.01 41.94 27.05 6 N C C 108.74 3.11 20.96 24.42 108.80 -136.02 -90.37 111.73 66.96 32.91 0.13 59.47 5.64 0.92 0.04 0.11 0.00 30.38 3.43 7 I C C 18.02 22.77 9.88 31.74 116.60 -163.24 -99.85 126.00 95.99 3.72 0.29 93.23 2.67 0.33 0.09 0.14 0.00 2.92 0.63 8 P C C 61.63 6.31 18.94 26.10 113.51 -114.76 -67.78 149.24 93.26 1.24 5.51 78.26 5.32 8.87 0.62 5.71 0.00 0.75 0.45 9 D C T 95.49 7.05 16.59 24.68 99.81 -112.15 -72.49 2.41 88.41 0.61 10.99 11.40 25.58 50.79 0.86 10.76 0.00 0.33 0.29 10 H C T 101.60 9.74 17.56 27.59 103.21 62.70 -91.47 47.21 82.73 4.33 12.93 26.03 16.84 40.16 1.51 11.44 0.00 3.15 0.87 11 K C C 76.90 14.07 18.01 31.69 110.68 135.90 -86.47 127.97 80.12 15.41 4.47 57.45 19.96 2.41 2.18 2.30 0.00 11.19 4.51 12 H E B 61.26 14.20 24.53 37.72 116.28 -110.54 -81.45 143.16 39.50 57.65 2.85 34.71 2.05 0.39 2.74 0.25 0.00 14.04 45.83 13 A H H 3.38 26.04 20.79 46.98 92.61 -123.56 -61.14 -39.03 2.38 0.01 97.61 0.24 0.22 1.80 96.84 0.89 0.00 0.00 0.00 14 V H H 18.70 21.01 24.27 44.06 91.43 54.42 -63.69 -41.62 0.77 0.00 99.23 0.06 0.05 0.62 98.39 0.87 0.00 0.00 0.00 15 I H H 46.51 10.95 27.87 39.69 91.77 50.54 -64.48 -41.61 0.17 0.00 99.83 0.01 0.01 0.14 98.93 0.91 0.00 0.00 0.00 16 A H H 4.46 22.29 23.59 45.49 91.63 50.96 -64.10 -42.71 0.25 0.00 99.75 0.02 0.01 0.19 98.63 1.14 0.00 0.00 0.00 17 L H H 2.23 26.69 21.51 48.35 91.32 51.32 -65.08 -37.09 1.22 0.01 98.78 0.04 0.06 1.15 94.50 4.24 0.00 0.00 0.00 18 T H H 44.86 15.26 23.33 37.89 91.19 58.42 -69.05 -24.97 14.99 0.02 85.00 0.18 0.34 15.53 78.36 5.53 0.02 0.01 0.01 19 S C T 44.00 12.25 23.56 36.07 92.14 60.16 -80.91 -10.22 63.66 0.08 36.25 1.15 2.43 60.18 33.26 2.85 0.02 0.03 0.08 20 I C S 11.19 23.93 16.73 40.66 117.80 91.49 -88.39 136.14 94.00 2.94 3.06 6.45 80.97 5.50 3.03 0.27 0.02 0.55 3.20 21 Y C T 96.06 13.21 23.47 35.85 108.70 -84.90 -70.06 121.37 97.78 0.45 1.77 0.67 13.29 84.38 0.55 0.61 0.00 0.17 0.33 22 G C T 35.49 9.20 22.75 32.33 96.49 6.50 85.93 -1.42 99.53 0.09 0.38 2.02 16.03 81.59 0.10 0.19 0.00 0.05 0.03 23 V C C 8.59 24.09 12.73 36.89 116.68 116.89 -102.99 126.73 96.23 3.48 0.28 77.78 16.50 0.65 0.19 0.09 0.00 0.70 4.09 24 G C C 28.04 6.17 23.96 30.06 125.53 -156.38 -91.12 166.24 99.47 0.33 0.20 98.31 1.12 0.12 0.13 0.02 0.00 0.09 0.21 25 K H H 109.40 12.28 16.21 28.38 92.03 -99.81 -59.83 -37.75 4.38 0.01 95.61 0.68 0.78 2.35 95.87 0.30 0.00 0.00 0.00 26 T H H 91.17 2.13 23.11 24.28 91.87 52.34 -64.46 -41.00 2.49 0.00 97.51 0.37 0.25 1.54 97.53 0.29 0.00 0.00 0.00 27 R H H 77.90 12.52 21.09 33.28 92.23 48.16 -66.54 -40.47 0.50 0.00 99.50 0.12 0.04 0.24 99.44 0.17 0.00 0.00 0.00 28 S H H 2.24 25.80 15.65 41.89 91.11 51.09 -62.86 -42.99 0.11 0.00 99.89 0.02 0.01 0.05 99.90 0.02 0.00 0.00 0.00 29 K H H 98.11 9.76 23.87 33.68 91.30 51.19 -63.02 -41.14 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 A H H 46.93 4.69 25.78 30.68 91.55 50.96 -63.79 -42.65 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 31 I H H 6.95 22.01 20.99 42.86 91.62 48.85 -64.34 -44.07 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 32 L H H 6.08 23.72 18.23 41.90 91.44 50.00 -62.84 -43.37 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 A H H 67.28 4.49 22.92 27.87 91.49 50.46 -63.21 -40.88 0.15 0.00 99.85 0.00 0.00 0.12 99.82 0.06 0.00 0.00 0.00 34 A H H 60.20 7.51 20.71 28.95 90.74 52.61 -65.72 -30.46 1.89 0.00 98.11 0.02 0.03 2.01 97.82 0.13 0.00 0.00 0.00 35 A C T 15.16 19.51 14.87 34.59 92.82 49.69 -88.04 -3.47 62.01 0.00 37.98 0.12 0.46 62.24 36.77 0.40 0.00 0.00 0.01 36 G C T 52.97 2.43 23.26 25.63 94.48 -111.57 76.68 20.26 99.90 0.00 0.10 0.73 0.48 98.76 0.03 0.01 0.00 0.00 0.00 37 I C C 14.24 22.91 10.74 33.16 120.65 138.76 -101.36 139.37 99.25 0.67 0.08 96.25 2.80 0.08 0.03 0.03 0.00 0.15 0.66 38 A C C 52.48 4.61 23.05 27.41 115.40 -111.66 -72.18 145.57 99.34 0.47 0.19 98.75 0.52 0.20 0.03 0.08 0.00 0.14 0.27 39 E C T 89.42 15.77 13.37 28.51 92.56 -123.15 -64.13 -26.01 99.41 0.22 0.37 1.24 6.28 91.93 0.03 0.31 0.00 0.12 0.08 40 D C T 114.85 1.69 20.53 21.72 94.67 56.12 -90.42 2.57 99.48 0.24 0.28 1.84 5.19 92.43 0.02 0.31 0.00 0.18 0.03 41 V C C 26.25 15.45 12.91 29.57 116.14 124.16 -72.45 140.22 99.13 0.83 0.04 69.91 29.22 0.13 0.01 0.02 0.00 0.40 0.30 42 K E B 87.49 5.83 23.93 29.97 115.91 -119.58 -78.81 143.27 35.32 64.63 0.05 31.96 0.36 0.01 0.03 0.01 0.00 4.44 63.19 43 I H G 10.76 24.87 12.47 37.63 91.24 -119.78 -58.07 -36.45 6.59 0.05 93.35 0.40 0.47 4.49 0.48 94.12 0.00 0.04 0.00 44 S H G 66.91 7.56 19.58 28.14 89.79 62.74 -68.32 -18.89 6.15 0.02 93.83 0.10 0.26 4.81 0.32 94.49 0.00 0.01 0.00 45 E H G 125.96 2.90 21.11 24.02 94.19 54.88 -92.99 -3.37 6.83 0.03 93.14 0.32 0.59 4.37 0.36 94.34 0.00 0.01 0.00 46 L C C 13.47 23.74 7.41 29.37 118.14 108.79 -75.25 141.03 99.07 0.49 0.44 63.54 35.14 0.26 0.18 0.18 0.00 0.09 0.62 47 S C C 59.26 2.36 21.45 22.47 123.39 -130.91 -85.24 165.99 99.26 0.36 0.37 97.88 1.25 0.06 0.33 0.02 0.00 0.06 0.39 48 E H H 134.66 4.79 13.97 20.90 90.91 -100.25 -58.05 -37.44 1.57 0.00 98.43 0.16 0.23 1.05 98.00 0.55 0.00 0.00 0.00 49 G H H 47.76 1.48 19.06 19.10 91.51 53.47 -63.59 -39.89 0.96 0.00 99.03 0.09 0.08 0.71 98.35 0.78 0.00 0.00 0.00 50 Q H H 47.06 13.56 16.73 30.62 92.22 49.11 -66.92 -39.75 0.37 0.00 99.63 0.07 0.03 0.22 99.06 0.62 0.00 0.00 0.00 51 I H H 12.86 20.98 14.73 35.78 91.47 51.73 -62.84 -43.21 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 52 D H H 78.94 3.09 23.07 25.57 91.34 50.93 -63.60 -40.98 0.16 0.00 99.84 0.02 0.01 0.09 99.83 0.04 0.00 0.00 0.00 53 T H H 57.42 5.20 22.13 27.71 91.42 50.41 -64.28 -41.57 0.22 0.00 99.78 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 54 L H H 4.80 24.04 16.12 40.42 91.63 50.25 -63.93 -42.58 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.06 0.00 0.00 0.00 55 R H H 91.07 14.01 20.04 33.22 91.40 52.48 -61.80 -41.77 0.15 0.00 99.85 0.02 0.01 0.10 99.82 0.07 0.00 0.00 0.00 56 D H H 92.30 1.64 23.55 23.03 91.86 49.90 -64.68 -40.73 0.33 0.00 99.67 0.02 0.01 0.25 99.51 0.21 0.00 0.00 0.00 57 E H H 49.61 11.08 18.89 30.88 92.13 49.60 -65.49 -41.19 0.87 0.00 99.13 0.05 0.03 0.72 98.71 0.49 0.00 0.00 0.00 58 V H H 9.67 23.07 13.31 36.05 92.04 50.54 -66.33 -37.33 3.79 0.01 96.21 0.30 0.24 3.02 94.67 1.75 0.00 0.00 0.00 59 A H H 63.65 6.71 17.58 25.45 91.00 60.07 -67.35 -23.05 35.78 0.06 64.17 1.55 1.31 32.23 61.73 3.09 0.02 0.02 0.04 60 K C T 148.77 1.64 19.42 20.26 94.39 54.30 -84.24 -12.52 64.23 0.12 35.65 3.69 3.42 55.07 34.07 3.59 0.01 0.05 0.09 61 F C C 49.17 17.95 11.03 28.26 115.22 87.10 -93.75 126.51 88.74 2.57 8.69 57.81 22.66 7.98 6.90 2.27 0.00 1.46 0.91 62 V C C 94.65 5.41 19.35 26.08 117.55 -157.63 -104.66 128.34 80.02 17.74 2.24 76.07 2.55 1.52 1.61 0.63 0.00 13.53 4.09 63 V C C 34.40 19.03 10.58 28.83 120.27 -164.87 -109.44 132.00 69.97 28.24 1.79 64.91 3.30 1.10 1.40 0.58 0.00 20.89 7.80 64 E C C 132.83 3.00 17.99 21.91 116.58 -146.04 -97.39 136.66 76.83 17.83 5.34 61.35 9.86 4.79 3.92 1.68 0.01 15.90 2.48 65 G C S 36.61 5.59 16.47 23.15 129.62 48.73 128.98 -174.03 80.39 6.12 13.49 30.77 37.74 12.30 10.71 3.05 0.06 3.80 1.58 66 D C C 84.38 4.48 18.52 23.41 106.57 -47.07 -85.82 100.38 80.04 1.72 18.24 66.33 5.34 7.09 17.31 2.36 0.00 0.92 0.67 67 L H H 33.16 18.80 12.44 30.95 94.42 -165.81 -65.32 -34.27 15.13 0.18 84.69 9.95 2.05 3.83 82.21 1.81 0.00 0.08 0.07 68 R H H 116.63 9.62 17.47 27.66 91.39 57.84 -62.62 -41.00 4.27 0.05 95.69 1.77 0.60 1.89 94.33 1.36 0.00 0.02 0.02 69 R H H 142.37 2.25 20.56 22.20 92.19 49.30 -65.74 -40.03 2.23 0.04 97.74 1.01 0.31 0.98 96.52 1.15 0.00 0.02 0.01 70 E H H 75.62 8.76 19.26 28.72 92.25 50.24 -65.39 -41.21 1.30 0.02 98.69 0.57 0.16 0.56 98.15 0.53 0.00 0.01 0.00 71 I H H 19.94 18.95 16.43 35.35 91.91 49.07 -64.50 -42.79 1.24 0.01 98.75 0.47 0.14 0.58 98.48 0.32 0.00 0.01 0.00 72 S H H 43.44 7.82 20.49 29.04 91.68 51.08 -63.33 -41.91 1.39 0.01 98.60 0.42 0.12 0.71 98.48 0.25 0.00 0.00 0.00 73 M H H 88.35 2.99 22.92 25.10 91.70 50.06 -64.41 -41.46 0.94 0.00 99.06 0.23 0.08 0.52 98.98 0.18 0.00 0.00 0.00 74 S H H 18.85 14.21 19.46 34.29 91.87 50.48 -64.68 -41.57 0.97 0.00 99.03 0.17 0.06 0.61 99.00 0.15 0.00 0.00 0.00 75 I H H 24.12 18.53 18.00 36.28 91.73 50.56 -63.83 -41.93 0.45 0.00 99.55 0.06 0.03 0.27 99.55 0.09 0.00 0.00 0.00 76 K H H 118.87 3.21 23.25 26.19 91.51 51.17 -63.50 -41.56 0.28 0.00 99.72 0.04 0.02 0.16 99.71 0.07 0.00 0.00 0.00 77 R H H 108.94 4.89 21.80 26.91 91.74 49.52 -64.78 -41.05 0.46 0.00 99.54 0.05 0.02 0.31 99.49 0.13 0.00 0.00 0.00 78 L H H 13.87 18.80 14.73 33.91 91.85 50.68 -64.16 -41.69 0.58 0.00 99.42 0.07 0.04 0.37 99.21 0.31 0.00 0.00 0.00 79 M H H 77.32 10.98 16.64 28.02 91.98 50.86 -63.90 -40.85 1.14 0.00 98.86 0.12 0.07 0.80 98.28 0.72 0.00 0.00 0.00 80 D H H 114.43 1.41 19.61 20.19 90.95 52.73 -66.31 -28.62 6.28 0.01 93.71 0.18 0.22 5.77 93.17 0.64 0.00 0.00 0.00 81 L C T 72.58 9.24 15.25 25.61 93.22 52.97 -85.97 -6.19 51.59 0.03 48.38 0.55 1.57 48.74 48.21 0.89 0.01 0.01 0.03 82 G C T 42.85 5.21 20.13 26.05 97.69 -106.37 83.63 14.66 99.34 0.05 0.61 10.35 4.10 85.02 0.38 0.11 0.00 0.02 0.02 83 C C C 21.29 17.13 13.49 31.03 117.38 149.66 -79.07 145.77 96.36 1.37 2.27 90.55 4.86 0.60 2.03 0.27 0.00 0.32 1.37 84 Y H H 103.64 9.74 21.22 31.54 93.16 -132.66 -65.25 -36.06 11.28 0.09 88.63 2.25 2.90 6.68 86.80 1.25 0.03 0.03 0.06 85 R H H 91.52 11.33 21.20 32.31 92.39 55.08 -65.04 -41.78 4.47 0.02 95.50 0.53 0.52 3.28 94.56 1.08 0.01 0.01 0.01 86 G H H 8.54 12.47 17.57 31.83 91.92 51.19 -63.71 -42.26 2.86 0.03 97.11 0.67 0.33 1.72 95.72 1.54 0.00 0.01 0.01 87 L H H 43.37 8.80 19.00 29.29 91.82 50.13 -64.29 -42.07 1.81 0.02 98.17 0.46 0.25 1.00 97.24 1.03 0.00 0.01 0.01 88 R H H 67.33 8.92 17.04 27.40 92.35 49.87 -64.55 -42.23 2.04 0.04 97.92 0.51 0.27 1.20 97.04 0.94 0.01 0.02 0.01 89 H H H 76.78 10.16 15.02 26.03 92.45 49.73 -64.94 -41.03 2.30 0.02 97.68 0.36 0.18 1.60 96.05 1.81 0.00 0.01 0.00 90 R H H 137.34 5.78 15.68 22.88 91.54 51.15 -66.43 -31.19 8.10 0.02 91.87 0.37 0.40 7.25 90.20 1.74 0.02 0.01 0.01 91 R C T 136.84 4.09 14.83 20.00 94.01 48.86 -90.39 1.14 63.65 0.03 36.33 0.46 1.26 62.46 34.15 1.63 0.01 0.01 0.03 92 G C T 58.31 1.74 16.16 18.13 95.22 -108.15 80.21 14.37 99.59 0.01 0.41 1.72 1.41 96.60 0.22 0.05 0.00 0.00 0.00 93 L C C 56.26 10.31 10.43 22.35 116.86 144.31 -87.84 138.77 99.80 0.17 0.04 92.61 7.12 0.08 0.02 0.01 0.00 0.05 0.11 94 P C C 75.90 4.71 17.72 23.19 112.51 -105.05 -65.57 145.38 99.20 0.55 0.25 95.81 2.98 0.46 0.08 0.10 0.00 0.20 0.38 95 V C C 48.77 15.91 11.06 26.38 116.98 -148.49 -102.19 136.55 84.34 13.64 2.02 72.60 7.93 1.52 1.10 0.77 0.00 2.71 13.37 96 R C T 146.97 5.12 15.51 21.79 108.47 -104.96 -68.49 125.50 81.59 3.71 14.70 18.06 24.46 39.85 8.07 5.54 0.06 1.72 2.24 97 G C T 47.90 4.71 14.55 20.27 98.28 9.51 80.49 -1.96 79.64 1.25 19.10 13.87 22.41 43.95 11.38 6.92 0.04 0.55 0.88 98 Q C C 97.66 6.70 13.18 21.11 99.98 99.48 -78.77 -18.25 63.07 1.86 35.07 29.27 19.28 15.76 26.15 7.60 0.05 0.75 1.14 99 R C H 136.29 5.44 14.40 21.09 99.05 62.83 -78.05 -18.26 54.63 2.57 42.80 33.36 11.75 10.74 36.23 5.49 0.04 1.22 1.18 100 T H H 61.26 8.43 13.01 22.62 104.01 70.30 -79.64 -26.40 42.82 2.24 54.93 27.36 9.18 7.96 48.40 5.03 0.04 1.21 0.83 101 K H H 122.79 5.06 15.28 21.32 96.72 52.79 -71.59 -32.88 37.47 1.56 60.97 21.99 8.40 8.85 54.51 4.81 0.04 0.84 0.56 102 T H H 67.96 5.86 14.90 21.94 98.04 54.85 -74.11 -36.02 38.12 1.10 60.78 21.34 8.28 9.99 54.67 4.70 0.03 0.54 0.45 103 N H H 69.61 7.32 14.30 22.90 96.15 52.80 -71.86 -31.89 38.65 0.88 60.47 21.94 8.05 10.23 53.70 5.26 0.02 0.41 0.40 104 A H H 49.80 8.48 12.60 22.37 94.76 59.07 -68.01 -29.81 38.80 0.85 60.36 20.17 7.89 12.27 51.39 7.45 0.03 0.41 0.39 105 R H H 147.35 3.80 14.21 19.12 96.52 59.38 -73.71 -22.80 43.96 1.20 54.84 23.44 9.09 13.05 45.78 7.48 0.03 0.57 0.56 106 T C H 83.30 4.96 12.46 18.69 100.43 53.70 -88.43 -4.44 54.16 1.88 43.96 30.31 10.92 14.23 36.20 6.53 0.03 0.85 0.94 107 R C C 134.37 6.44 10.08 17.99 110.68 103.02 -83.81 127.15 73.84 1.53 24.63 43.15 16.85 13.49 20.91 4.06 0.01 0.62 0.91 108 K C C 156.36 1.97 11.56 14.77 106.50 -133.20 -87.13 52.95 86.74 1.76 11.51 53.19 20.91 12.45 8.97 2.58 0.00 0.68 1.22 109 G C C 37.45 5.80 9.35 16.80 126.65 -125.73 -103.77 172.76 98.19 1.21 0.60 56.28 40.43 1.63 0.29 0.25 0.00 0.48 0.64 110 P C C 105.01 2.49 11.31 15.18 109.39 -65.35 -68.26 142.71 98.19 1.01 0.80 91.84 3.36 3.14 0.29 0.34 0.00 0.51 0.52 111 R C C 171.18 3.05 11.31 16.15 106.69 -115.05 -83.74 97.01 99.57 0.20 0.23 98.86 0.45 0.35 0.12 0.06 0.00 0.09 0.07