# 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 132.39 3.12 10.13 15.09 115.03 -157.39 -94.48 128.93 99.71 0.25 0.04 99.64 0.11 0.06 0.02 0.01 0.00 0.13 0.03 1 A C C 79.21 3.32 7.61 12.91 116.47 -155.09 -98.09 136.30 85.80 6.68 7.52 81.39 1.40 4.21 3.52 2.64 0.00 5.15 1.68 2 Q C C 140.08 1.93 8.21 11.88 115.75 -153.25 -101.03 131.68 77.60 13.01 9.40 56.07 13.92 7.76 4.05 5.10 0.01 10.96 2.13 3 R C C 163.39 2.78 8.21 13.05 119.29 -159.53 -105.96 136.17 70.39 18.69 10.92 54.22 10.72 5.26 5.39 5.43 0.02 16.15 2.81 4 V C C 97.39 5.08 8.12 15.10 116.69 -145.48 -98.66 131.76 70.08 21.33 8.59 58.96 7.14 3.18 4.96 3.54 0.00 19.29 2.92 5 T C C 90.46 3.76 10.47 16.08 118.47 -165.11 -108.47 135.82 71.31 21.31 7.38 57.38 9.05 3.89 4.36 3.08 0.01 19.43 2.82 6 Y C C 149.53 4.64 9.40 16.01 119.03 -153.59 -106.71 132.67 73.32 20.84 5.83 57.33 11.16 3.92 3.41 2.68 0.01 17.95 3.54 7 R C C 146.53 4.32 10.04 16.33 119.61 -162.50 -107.42 136.35 81.02 15.28 3.70 67.23 10.00 3.00 2.11 1.65 0.00 13.25 2.76 8 R C C 156.83 3.61 10.13 15.72 115.40 -133.14 -93.39 134.80 84.65 11.47 3.88 69.44 11.13 3.64 2.10 1.85 0.00 8.84 2.99 9 R C C 147.59 4.57 9.68 16.15 114.90 -139.95 -92.04 135.54 88.03 6.84 5.13 71.09 12.67 4.09 2.58 2.54 0.00 4.16 2.87 10 L C C 108.30 4.25 10.30 16.27 112.87 -121.90 -84.89 141.32 83.40 3.14 13.46 60.62 13.30 9.06 3.15 10.71 0.00 1.81 1.36 11 A C C 76.70 3.62 11.54 16.57 102.33 -117.08 -75.04 -8.30 82.11 2.22 15.66 41.75 19.16 20.81 2.76 13.40 0.00 1.16 0.96 12 Y C C 128.76 6.79 10.69 18.76 104.88 56.35 -91.48 32.98 81.65 3.67 14.69 46.15 16.20 18.99 2.61 12.39 0.00 1.81 1.84 13 N C C 85.85 7.76 11.22 20.25 107.29 113.02 -94.67 95.37 91.97 3.40 4.63 67.52 18.04 6.03 1.38 3.37 0.00 1.70 1.96 14 T C C 58.40 6.59 12.23 20.58 126.27 139.46 -116.74 159.48 89.08 6.98 3.94 57.40 27.53 3.55 1.65 2.13 0.00 2.34 5.39 15 R C G 171.32 3.45 13.53 18.13 94.66 -114.53 -68.03 -22.12 50.91 1.88 47.21 10.19 12.83 28.62 3.05 43.49 0.02 1.06 0.74 16 S C G 67.34 4.98 14.10 20.30 94.94 65.60 -79.53 -12.57 50.81 2.11 47.08 9.04 10.51 31.51 2.73 44.23 0.01 1.35 0.62 17 N H G 59.42 12.02 11.94 24.56 106.17 68.41 -94.88 82.49 44.21 7.30 48.49 20.66 11.56 14.40 3.07 43.69 0.01 5.57 1.03 18 R C C 112.33 7.31 16.40 24.69 117.27 127.94 -88.86 135.36 61.72 34.54 3.74 46.60 11.44 3.82 0.83 2.82 0.00 32.95 1.54 19 T E E 62.82 11.33 13.78 25.80 122.06 -154.68 -111.08 136.07 12.25 87.66 0.09 11.32 0.74 0.10 0.03 0.05 0.00 87.38 0.38 20 R E E 98.30 7.89 16.04 25.38 126.07 -172.73 -124.68 142.19 1.57 98.42 0.01 1.48 0.06 0.01 0.00 0.00 0.00 98.39 0.05 21 I E E 87.06 7.66 14.63 23.84 116.02 -135.15 -97.58 127.56 0.93 99.07 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.05 0.02 22 I E E 51.61 9.93 12.48 24.36 125.24 -172.33 -120.84 141.18 1.70 98.30 0.00 1.60 0.05 0.00 0.00 0.00 0.00 98.29 0.04 23 K E E 135.19 3.23 13.65 18.39 114.45 -129.61 -91.92 125.48 9.63 90.35 0.02 8.92 0.46 0.03 0.00 0.01 0.00 90.09 0.48 24 T C C 42.82 9.61 7.59 18.47 122.93 -155.73 -94.73 159.03 91.87 8.03 0.10 90.25 1.43 0.22 0.02 0.06 0.00 7.55 0.47 25 P C T 113.56 1.52 10.62 13.04 106.85 -91.88 -63.01 137.08 93.15 1.41 5.44 2.48 9.11 80.44 0.15 6.47 0.00 1.06 0.29 26 G C T 63.54 0.73 10.54 10.76 98.16 19.47 77.93 -2.31 93.76 0.29 5.95 1.23 7.34 84.02 0.15 6.97 0.00 0.17 0.11 27 N C S 125.70 1.98 9.96 13.30 97.68 -94.19 77.36 12.04 93.19 1.42 5.38 14.39 63.65 14.99 0.32 5.32 0.00 0.84 0.49 28 N C C 92.45 2.75 10.65 15.10 118.04 135.75 -87.26 143.79 84.83 14.96 0.21 77.04 6.39 0.66 0.04 0.17 0.00 14.62 1.08 29 I E E 95.09 6.92 10.21 19.00 116.73 -131.75 -97.20 132.06 6.73 93.26 0.01 6.18 0.33 0.02 0.00 0.01 0.00 93.19 0.27 30 R E E 101.26 7.02 13.75 22.61 124.65 -170.35 -119.95 140.85 0.77 99.23 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.01 31 Y E E 106.93 9.15 13.71 24.33 118.36 -138.88 -103.31 131.27 0.32 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 32 L E E 53.47 10.13 14.85 26.79 120.83 -165.51 -115.01 133.66 0.53 99.47 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.02 33 H E E 82.56 9.51 15.19 26.10 118.06 -154.12 -105.44 128.93 3.28 96.71 0.01 3.04 0.12 0.01 0.00 0.00 0.00 96.71 0.11 34 I E E 52.99 10.82 14.49 26.95 118.89 -162.38 -108.70 129.13 23.44 76.43 0.13 22.21 1.12 0.15 0.05 0.07 0.00 75.50 0.91 35 K C C 115.48 7.38 14.65 23.46 115.44 -149.22 -93.64 131.62 61.07 38.57 0.36 52.36 6.87 0.82 0.09 0.29 0.00 37.75 1.80 36 K C C 111.56 6.43 14.38 22.22 120.17 -152.03 -103.13 139.16 81.76 17.56 0.68 71.57 8.11 1.59 0.17 0.60 0.00 14.95 3.01 37 L C C 106.59 6.18 13.91 21.63 112.58 -111.28 -75.35 138.17 90.51 8.38 1.11 64.53 15.71 10.08 0.18 1.22 0.00 6.44 1.84 38 G C C 30.90 10.71 11.81 23.08 120.96 -118.88 -78.72 159.35 93.95 5.44 0.61 57.82 24.15 12.05 0.06 0.82 0.00 3.98 1.12 39 T C C 90.59 3.96 17.89 22.91 120.81 -119.40 -105.71 144.92 86.79 12.97 0.24 74.09 11.96 0.74 0.07 0.22 0.00 5.56 7.38 40 I C C 80.03 10.52 16.43 27.55 117.17 -103.72 -82.24 138.52 94.12 5.85 0.03 81.31 13.02 0.17 0.01 0.03 0.00 4.27 1.18 41 P C C 29.19 17.33 14.38 31.91 114.26 -108.20 -67.24 145.19 95.53 4.43 0.03 86.32 8.99 0.31 0.00 0.04 0.00 3.89 0.44 42 R E B 117.63 6.23 22.66 29.79 126.59 -152.20 -117.82 146.14 9.65 90.30 0.04 7.71 0.31 0.01 0.05 0.00 0.00 12.04 79.89 43 C C C 12.15 20.33 12.94 33.68 111.53 -110.56 -71.17 134.54 84.18 15.77 0.05 85.37 0.68 0.08 0.02 0.02 0.00 10.94 2.89 44 G C T 33.33 8.72 18.24 28.13 93.69 -140.25 -67.70 -28.97 99.79 0.09 0.11 0.46 5.83 93.52 0.00 0.10 0.00 0.05 0.02 45 D C T 85.00 6.70 17.61 25.09 99.88 41.74 -85.78 -38.25 99.82 0.06 0.13 0.11 3.60 96.15 0.00 0.10 0.00 0.03 0.02 46 T C T 64.04 6.66 15.26 23.21 102.69 17.91 -107.03 -13.85 99.73 0.11 0.16 0.37 5.60 93.80 0.01 0.13 0.00 0.06 0.03 47 G C C 43.77 6.19 14.64 22.49 94.88 -124.86 79.71 6.40 99.32 0.61 0.07 80.98 16.22 2.05 0.02 0.06 0.00 0.27 0.40 48 V C C 70.98 5.61 16.37 23.54 117.80 138.67 -79.60 141.55 96.58 3.39 0.03 82.13 14.77 0.14 0.01 0.02 0.00 1.94 0.99 49 P E B 81.93 6.49 18.33 25.84 114.21 -104.23 -66.63 143.75 6.28 93.65 0.07 4.27 0.24 0.01 0.08 0.01 0.00 9.30 86.10 50 L C C 17.28 22.37 10.05 31.68 110.47 -130.38 -87.78 122.52 93.63 5.94 0.44 91.74 1.79 0.55 0.06 0.39 0.00 4.28 1.18 51 Q C T 134.42 2.54 19.36 22.63 111.32 -133.04 -69.86 135.60 93.92 4.63 1.45 18.24 17.13 58.53 0.16 1.51 0.00 3.48 0.97 52 G C T 52.45 4.03 18.25 22.40 97.24 19.59 85.30 -2.16 95.20 3.79 1.02 11.79 19.33 63.87 0.08 1.22 0.00 3.15 0.56 53 I C C 24.64 20.90 10.32 30.63 115.82 115.46 -94.95 126.77 89.31 10.45 0.23 61.84 27.89 0.55 0.07 0.19 0.00 5.92 3.54 54 P C C 65.69 6.06 21.61 28.08 115.41 -116.50 -68.99 147.67 87.31 12.25 0.45 84.02 2.81 0.75 0.13 0.31 0.00 7.09 4.89 55 A C C 52.37 13.80 15.74 29.31 115.32 -115.39 -79.68 137.81 91.18 8.20 0.62 64.11 25.27 2.06 0.19 0.46 0.00 3.77 4.15 56 L C C 39.81 14.78 12.93 28.28 124.74 -153.09 -113.25 146.57 89.46 10.05 0.49 65.79 22.14 0.61 0.28 0.21 0.00 2.99 7.97 57 R C C 121.94 3.47 19.30 22.65 116.52 -108.55 -73.31 149.42 99.37 0.46 0.17 96.27 3.09 0.10 0.12 0.02 0.00 0.17 0.21 58 P H H 70.44 9.99 11.53 22.63 91.45 -110.44 -56.47 -39.41 7.84 0.06 92.11 0.97 0.82 5.37 78.29 14.49 0.02 0.03 0.02 59 R H H 164.11 1.25 15.78 16.41 91.90 53.29 -64.64 -36.86 4.95 0.04 95.02 0.45 0.39 3.59 79.33 16.19 0.01 0.02 0.01 60 E H H 90.14 4.97 15.16 21.34 92.89 49.74 -67.99 -37.59 2.90 0.04 97.07 0.43 0.27 1.89 81.65 15.73 0.00 0.03 0.00 61 F H H 43.71 16.64 10.49 26.72 92.27 52.75 -66.51 -36.55 4.96 0.05 94.99 0.77 0.49 3.25 82.25 13.19 0.01 0.03 0.01 62 A H H 64.41 5.91 14.63 21.95 91.06 60.81 -67.66 -22.75 42.96 0.14 56.89 1.51 1.78 39.76 47.09 9.59 0.07 0.07 0.13 63 R C T 177.35 1.07 17.03 16.73 95.28 55.38 -88.92 -6.09 63.68 0.19 36.14 2.91 3.56 56.79 27.42 9.04 0.03 0.09 0.17 64 L C C 43.17 14.96 7.66 22.35 117.55 105.13 -77.26 143.38 92.35 1.07 6.58 45.42 43.49 3.28 5.33 1.20 0.00 0.26 1.03 65 S C C 58.77 2.88 16.65 19.56 120.26 -131.34 -88.95 157.30 94.41 2.00 3.59 89.29 3.31 1.65 2.34 0.89 0.00 0.63 1.88 66 H C G 120.04 8.43 10.72 20.30 92.82 -115.06 -60.90 -31.78 50.10 1.01 48.90 7.44 8.19 34.41 7.97 40.81 0.05 0.52 0.62 67 N C T 124.60 1.57 14.30 16.18 92.43 60.28 -70.88 -20.34 53.08 0.45 46.47 3.90 7.00 41.26 7.22 40.02 0.02 0.24 0.35 68 K H G 132.02 3.55 14.18 18.76 97.69 51.24 -93.43 -2.51 48.61 1.35 50.04 11.78 11.05 26.78 8.09 40.80 0.03 0.70 0.78 69 K C C 74.55 14.37 10.99 24.98 111.25 89.32 -88.32 119.55 84.61 3.79 11.59 62.64 17.46 4.32 7.83 3.67 0.01 1.49 2.59 70 T C C 67.88 6.73 18.45 25.92 122.47 166.27 -114.06 144.03 81.62 12.22 6.16 68.46 9.11 2.49 4.53 1.95 0.01 5.27 8.19 71 V C C 47.49 16.61 12.25 28.35 107.42 -143.62 -88.13 86.43 82.49 9.98 7.53 64.73 12.81 4.30 4.93 2.86 0.01 5.59 4.78 72 Q C C 120.10 4.15 17.12 22.48 106.45 119.17 -101.05 20.42 83.95 10.00 6.05 61.95 16.91 4.33 3.78 2.42 0.01 4.84 5.76 73 R C C 110.13 7.63 13.42 22.36 122.13 87.35 -92.30 151.41 73.64 8.25 18.11 34.09 28.63 11.16 7.69 8.98 0.21 3.31 5.91 74 A C T 70.12 6.47 14.16 21.75 94.58 -106.61 -65.16 -29.06 75.26 1.35 23.39 5.85 12.56 56.03 5.28 18.60 0.03 0.80 0.83 75 Y C T 127.57 7.06 13.71 21.81 99.67 39.33 -95.06 6.66 74.78 1.82 23.41 5.40 12.12 56.48 4.56 19.31 0.04 1.09 1.02 76 G C T 35.61 8.75 13.88 23.44 109.29 -108.29 72.82 46.87 77.06 5.66 17.28 25.64 22.44 29.65 4.77 11.66 0.07 2.56 3.21 77 G C T 38.21 7.57 14.96 23.40 113.82 -5.20 89.08 -161.76 83.88 4.90 11.21 29.65 24.84 30.22 2.94 7.69 0.01 2.36 2.30 78 C C S 78.34 6.77 16.57 24.00 100.79 -51.76 -87.59 -9.46 76.48 9.46 14.07 24.58 33.19 20.21 5.25 7.58 0.08 5.24 3.86 79 L C S 78.45 9.50 15.98 26.01 108.74 72.24 -86.98 99.18 64.93 21.02 14.04 23.34 29.33 12.46 8.09 5.13 0.33 8.44 12.88 80 S C C 35.29 11.15 16.45 28.20 111.34 -84.14 -88.65 117.55 81.80 7.89 10.32 67.92 7.10 5.77 8.39 2.50 0.00 3.72 4.60 81 A H H 43.72 11.40 16.27 28.18 94.49 -125.65 -62.23 -35.88 8.01 0.07 91.92 2.87 1.75 3.80 90.19 1.32 0.01 0.03 0.03 82 N H H 98.48 3.07 22.00 24.93 92.59 53.29 -65.65 -39.32 3.99 0.03 95.98 0.89 0.59 2.49 94.87 1.12 0.01 0.01 0.01 83 A H H 27.42 8.75 18.55 28.75 92.28 50.87 -65.59 -42.23 2.27 0.03 97.70 0.82 0.29 1.15 96.66 1.04 0.00 0.02 0.01 84 V H H 22.89 15.51 16.69 32.94 92.26 50.12 -64.35 -42.77 1.02 0.02 98.96 0.51 0.13 0.40 98.69 0.26 0.00 0.01 0.01 85 K H H 94.44 7.83 20.26 28.33 91.76 51.11 -63.25 -42.03 0.65 0.01 99.34 0.26 0.06 0.29 99.29 0.09 0.00 0.00 0.00 86 D H H 76.72 3.69 21.26 24.77 92.00 49.67 -65.27 -40.88 0.50 0.00 99.49 0.21 0.06 0.21 99.47 0.05 0.00 0.00 0.00 87 R H H 95.29 8.63 19.32 28.39 92.35 49.72 -65.63 -41.12 0.21 0.00 99.79 0.06 0.02 0.10 99.80 0.02 0.00 0.00 0.00 88 I H H 51.68 12.01 17.79 30.02 92.26 48.82 -64.90 -42.51 0.13 0.00 99.87 0.03 0.01 0.06 99.88 0.01 0.00 0.00 0.00 89 V H H 66.42 5.94 19.37 25.83 91.85 49.21 -63.96 -42.50 0.14 0.00 99.86 0.03 0.01 0.07 99.87 0.02 0.00 0.00 0.00 90 R H H 124.16 3.26 20.07 23.28 91.92 49.24 -64.63 -41.33 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 91 A H H 34.14 7.70 17.26 26.30 91.97 50.27 -64.64 -41.71 0.30 0.00 99.70 0.02 0.01 0.21 99.71 0.04 0.00 0.00 0.00 92 F H H 78.89 8.31 17.56 26.32 92.32 48.93 -65.43 -41.40 0.84 0.00 99.16 0.08 0.04 0.60 99.20 0.08 0.00 0.00 0.00 93 L H H 82.02 4.26 18.08 22.70 92.08 50.10 -64.95 -41.21 1.67 0.00 98.32 0.21 0.11 1.18 98.37 0.13 0.00 0.00 0.00 94 I H H 84.24 3.12 18.30 21.49 92.23 49.17 -64.86 -42.06 1.56 0.00 98.43 0.32 0.15 0.95 98.43 0.15 0.00 0.00 0.00 95 E H H 83.26 5.91 17.19 23.65 91.99 49.39 -65.10 -41.20 1.03 0.00 98.97 0.19 0.08 0.61 98.97 0.14 0.00 0.00 0.00 96 E H H 82.36 6.59 16.30 23.60 92.00 50.43 -64.97 -40.11 0.86 0.00 99.14 0.13 0.06 0.53 99.17 0.12 0.00 0.00 0.00 97 Q H H 94.41 3.41 17.21 20.90 91.97 51.26 -64.63 -40.31 0.49 0.00 99.51 0.07 0.03 0.28 99.55 0.07 0.00 0.00 0.00 98 K H H 111.32 2.52 17.83 20.08 92.09 50.68 -65.30 -40.86 0.59 0.00 99.41 0.09 0.03 0.36 99.46 0.07 0.00 0.00 0.00 99 I H H 70.33 5.15 16.25 22.10 91.95 49.67 -64.78 -42.47 0.35 0.00 99.65 0.06 0.02 0.20 99.68 0.04 0.00 0.00 0.00 100 V H H 65.82 4.83 15.89 21.36 91.93 49.51 -63.83 -42.22 0.22 0.00 99.78 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 101 K H H 111.97 2.33 17.05 19.20 91.71 49.91 -64.26 -41.26 0.23 0.00 99.77 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 102 Q H H 94.32 2.47 16.54 18.99 91.96 49.71 -64.62 -40.98 0.30 0.00 99.70 0.03 0.02 0.18 99.73 0.04 0.00 0.00 0.00 103 K H H 96.16 4.19 15.30 19.86 91.98 50.03 -64.74 -41.54 0.43 0.00 99.56 0.06 0.03 0.26 99.59 0.07 0.00 0.00 0.00 104 L H H 85.49 3.05 14.47 18.05 91.97 49.95 -64.71 -40.72 0.89 0.00 99.11 0.15 0.07 0.53 99.11 0.15 0.00 0.00 0.00 105 K H H 122.65 1.54 14.62 15.76 91.90 50.49 -64.68 -40.50 2.27 0.01 97.72 0.39 0.19 1.45 97.65 0.32 0.00 0.00 0.00 106 Q H H 101.64 1.90 13.35 15.45 92.38 50.20 -65.78 -39.37 5.39 0.03 94.58 1.17 0.58 3.32 94.25 0.66 0.00 0.01 0.01 107 L H H 94.58 2.56 11.32 14.78 92.73 51.03 -67.14 -36.81 10.73 0.07 89.20 2.91 1.42 6.07 88.23 1.29 0.01 0.03 0.03 108 S H H 76.86 1.69 10.23 12.68 93.93 53.85 -69.23 -30.82 22.45 0.15 77.40 5.96 2.84 13.39 75.52 2.13 0.02 0.06 0.08 109 S H H 88.81 1.04 9.39 10.78 95.67 56.76 -75.72 -20.10 42.41 0.39 57.20 13.09 6.24 23.87 53.72 2.68 0.03 0.14 0.23 110 Q C C 137.36 1.51 8.10 10.80 101.88 70.76 -81.53 3.61 70.62 0.36 29.02 45.23 1.58 22.23 28.83 1.76 0.00 0.16 0.21 111 K C C 153.78 1.92 9.85 13.20 107.46 106.44 -80.92 102.86 99.90 0.03 0.07 99.71 0.10 0.12 0.04 0.00 0.00 0.01 0.00