# 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 66.32 14.17 20.58 34.12 122.63 -160.41 -110.19 136.21 99.69 0.30 0.01 99.68 0.09 0.03 0.00 0.00 0.00 0.18 0.02 1 A C C 15.96 19.45 16.43 35.55 121.22 -155.37 -105.12 139.03 75.96 23.89 0.15 74.56 1.04 0.28 0.05 0.07 0.00 22.82 1.17 2 R E E 109.94 8.54 21.98 30.89 121.68 -152.50 -112.89 132.12 15.02 84.80 0.18 13.25 1.61 0.24 0.09 0.11 0.00 81.32 3.38 3 I E E 13.89 22.49 13.97 36.25 117.26 -166.26 -117.27 120.20 6.57 93.24 0.19 4.31 1.61 0.37 0.14 0.10 0.00 81.54 11.93 4 A C T 43.59 13.23 16.67 30.37 93.74 -22.42 54.54 42.07 98.91 0.77 0.32 0.62 2.94 95.60 0.02 0.23 0.00 0.50 0.10 5 G C T 56.63 2.95 19.00 22.38 94.67 -48.86 80.59 2.50 99.64 0.18 0.18 0.69 3.55 95.45 0.01 0.15 0.00 0.13 0.02 6 V E E 39.89 15.01 12.45 28.10 120.74 115.58 -106.65 134.13 8.99 90.90 0.11 5.37 3.15 0.59 0.05 0.07 0.00 80.34 10.43 7 N E E 101.54 4.08 21.45 26.25 109.45 -132.03 -87.78 118.00 23.29 76.66 0.05 19.79 2.84 0.30 0.02 0.04 0.00 74.42 2.59 8 I C C 13.90 23.51 10.14 33.06 116.19 -157.78 -97.80 123.87 91.64 8.14 0.22 88.63 2.74 0.29 0.05 0.13 0.00 7.50 0.66 9 P C C 62.40 5.90 19.72 26.35 113.43 -115.38 -68.00 149.99 95.08 1.53 3.39 83.02 4.69 6.79 0.38 3.59 0.00 0.96 0.56 10 D C T 95.65 7.26 16.31 24.55 97.95 -102.84 -67.47 -7.80 93.95 0.33 5.72 4.80 15.33 73.24 0.47 5.80 0.00 0.18 0.18 11 N C T 92.47 8.00 18.21 26.75 97.35 55.37 -88.49 16.45 92.98 0.94 6.08 13.29 12.06 67.07 0.64 6.01 0.00 0.63 0.29 12 K C C 67.71 14.43 17.52 31.84 117.13 132.83 -86.14 143.10 86.20 11.96 1.84 58.72 25.67 1.66 0.77 1.10 0.00 7.58 4.49 13 H E B 58.36 13.46 24.63 37.51 118.99 -115.15 -80.02 150.31 34.07 65.23 0.70 29.94 1.27 0.11 0.62 0.06 0.00 11.57 56.43 14 A H H 3.50 25.76 20.85 47.05 91.69 -118.38 -59.70 -39.17 2.02 0.01 97.97 0.12 0.15 1.72 97.03 0.97 0.01 0.00 0.00 15 V H H 18.42 21.02 24.71 44.58 91.42 54.32 -63.90 -41.65 0.66 0.00 99.34 0.03 0.03 0.59 98.38 0.96 0.01 0.00 0.00 16 I H H 39.51 12.35 27.62 40.63 91.68 50.24 -64.64 -41.75 0.19 0.00 99.81 0.01 0.01 0.15 98.78 1.04 0.00 0.00 0.00 17 S H H 4.18 22.51 23.58 45.76 91.74 51.43 -64.28 -42.55 0.35 0.00 99.64 0.02 0.02 0.28 98.22 1.45 0.00 0.00 0.00 18 L H H 2.65 26.18 21.81 48.01 91.27 51.40 -65.64 -38.21 1.83 0.01 98.16 0.06 0.09 1.81 93.13 4.89 0.01 0.01 0.00 19 T H H 37.75 15.87 23.10 38.19 92.00 56.01 -67.78 -32.48 13.04 0.04 86.92 0.22 0.41 13.28 80.40 5.60 0.05 0.02 0.02 20 Y H H 84.03 13.71 23.85 36.91 92.87 55.62 -73.80 -23.25 37.50 0.11 62.39 0.65 2.27 35.39 57.76 3.66 0.15 0.04 0.09 21 I C S 15.09 22.92 19.29 41.45 109.67 65.28 -90.36 107.82 78.54 2.19 19.27 4.75 46.85 25.37 18.61 1.24 0.23 0.53 2.42 22 F C T 64.60 16.33 22.20 37.10 103.62 -24.03 -85.53 61.06 94.47 0.50 5.03 1.33 12.63 81.27 2.84 1.29 0.01 0.21 0.43 23 G C T 36.19 8.81 23.41 32.62 96.02 -61.92 84.41 5.53 99.47 0.09 0.44 5.92 16.47 77.14 0.13 0.24 0.00 0.05 0.04 24 I C C 11.80 23.26 13.10 36.39 117.12 133.09 -97.55 130.84 97.74 2.00 0.27 82.91 13.48 0.55 0.17 0.09 0.00 0.48 2.32 25 G C C 28.62 6.09 23.74 29.80 124.24 -137.42 -84.78 166.90 99.65 0.21 0.14 98.29 1.31 0.10 0.09 0.01 0.00 0.06 0.13 26 R H H 122.05 12.35 16.02 28.31 91.63 -101.57 -59.14 -38.06 3.76 0.01 96.23 0.60 0.74 1.98 96.39 0.28 0.00 0.00 0.00 27 H H H 128.02 1.95 23.21 24.00 91.92 52.18 -64.28 -40.89 2.94 0.01 97.05 0.43 0.34 1.89 96.98 0.35 0.00 0.00 0.00 28 T H H 31.81 12.73 20.28 33.47 92.14 48.67 -65.88 -41.36 0.90 0.00 99.10 0.29 0.09 0.41 98.99 0.22 0.00 0.00 0.00 29 A H H 2.13 25.70 15.35 41.55 91.06 51.04 -62.94 -43.12 0.12 0.00 99.88 0.02 0.01 0.05 99.90 0.03 0.00 0.00 0.00 30 K H H 97.33 9.64 23.14 32.85 91.33 51.33 -62.97 -41.42 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 31 N H H 82.19 3.70 25.98 29.28 91.81 50.41 -64.66 -41.86 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 32 I H H 7.40 21.48 20.29 41.80 91.59 49.13 -64.24 -44.05 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 L H H 6.91 23.17 17.37 40.56 91.38 50.27 -62.69 -43.16 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 34 A H H 70.34 3.78 22.17 26.31 91.45 50.88 -63.33 -40.59 0.23 0.00 99.77 0.01 0.00 0.18 99.69 0.11 0.00 0.00 0.00 35 A H H 60.08 7.34 19.87 27.96 90.74 53.80 -65.91 -30.53 2.26 0.00 97.74 0.02 0.03 2.43 97.31 0.21 0.00 0.00 0.00 36 V H T 23.42 18.78 14.50 33.41 95.22 45.51 -92.66 0.27 49.61 0.01 50.38 0.15 0.56 50.13 48.55 0.59 0.01 0.00 0.01 37 G C T 53.79 2.19 22.92 24.81 94.46 -111.07 77.60 20.38 99.89 0.00 0.11 1.43 0.63 97.89 0.04 0.02 0.00 0.00 0.00 38 I C C 14.63 22.85 10.02 32.20 120.72 140.82 -99.02 138.68 99.46 0.50 0.04 96.26 3.09 0.05 0.02 0.01 0.00 0.11 0.46 39 T C C 74.57 3.50 23.90 26.67 117.56 -122.32 -81.30 146.57 99.60 0.31 0.08 99.18 0.40 0.10 0.02 0.02 0.00 0.08 0.20 40 E C T 79.82 17.40 13.21 29.75 91.86 -123.94 -64.36 -23.70 99.56 0.13 0.31 1.10 5.76 92.74 0.03 0.24 0.00 0.07 0.05 41 T C T 101.04 2.31 20.92 23.26 94.11 58.74 -90.56 -1.19 99.62 0.15 0.24 1.68 4.40 93.54 0.02 0.24 0.00 0.10 0.03 42 T C C 25.13 14.63 13.57 29.68 116.74 120.72 -70.43 143.53 99.26 0.70 0.05 63.73 35.51 0.16 0.01 0.03 0.00 0.30 0.26 43 K E B 82.27 6.60 23.94 30.87 116.98 -120.24 -79.66 146.72 30.47 69.48 0.04 26.67 0.34 0.01 0.03 0.00 0.00 4.31 68.64 44 I H G 9.02 25.23 12.93 38.59 91.08 -117.92 -58.52 -36.80 6.88 0.07 93.06 0.48 0.54 4.52 0.52 93.88 0.00 0.05 0.00 45 R H G 130.01 8.30 19.95 29.03 90.10 62.36 -66.72 -19.92 6.21 0.02 93.77 0.11 0.28 4.77 0.33 94.49 0.00 0.01 0.00 46 E H G 121.47 3.35 21.48 25.04 93.97 56.25 -92.00 -2.70 6.67 0.03 93.30 0.32 0.53 4.28 0.37 94.48 0.00 0.02 0.00 47 L C C 12.86 23.93 7.67 30.00 117.32 108.64 -74.81 140.27 99.11 0.50 0.39 63.56 35.12 0.25 0.16 0.17 0.00 0.08 0.65 48 D C C 77.85 2.38 21.45 22.59 125.02 -138.44 -91.29 167.98 99.61 0.25 0.13 98.81 0.76 0.03 0.10 0.01 0.00 0.05 0.23 49 D H H 105.87 4.60 14.09 20.77 90.72 -97.97 -58.83 -37.54 1.08 0.00 98.92 0.14 0.16 0.62 98.79 0.28 0.00 0.00 0.00 50 A H H 74.57 1.46 18.83 18.91 91.33 53.39 -63.86 -40.44 0.41 0.00 99.59 0.03 0.03 0.28 99.34 0.31 0.00 0.00 0.00 51 Q H H 47.60 13.54 16.48 30.40 92.10 48.61 -66.21 -40.13 0.16 0.00 99.84 0.02 0.01 0.10 99.57 0.30 0.00 0.00 0.00 52 L H H 15.45 19.99 14.71 34.76 91.57 51.68 -62.64 -43.02 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 53 D H H 84.43 2.72 23.18 25.13 91.40 50.72 -63.57 -40.28 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 54 A H H 44.60 5.28 21.76 27.59 91.39 50.98 -64.21 -41.61 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 55 I H H 5.04 23.83 16.14 40.25 91.54 49.80 -63.96 -43.40 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 56 R H H 92.18 13.79 20.10 33.13 91.29 51.77 -62.05 -41.48 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 57 A H H 63.57 1.89 23.04 22.90 91.52 50.71 -64.60 -41.09 0.34 0.00 99.66 0.02 0.01 0.26 99.52 0.18 0.00 0.00 0.00 58 E H H 58.51 10.42 19.05 30.27 92.03 49.29 -66.01 -40.62 1.07 0.00 98.93 0.05 0.04 0.90 98.62 0.39 0.00 0.00 0.00 59 V H H 10.15 22.88 13.01 35.49 92.17 50.52 -67.33 -37.02 5.73 0.01 94.26 0.52 0.41 4.42 93.52 1.12 0.00 0.00 0.01 60 A H H 65.18 6.73 17.06 25.02 90.85 61.87 -67.36 -22.47 44.43 0.11 55.47 4.13 2.35 36.71 54.52 2.15 0.02 0.04 0.08 61 K C T 153.46 1.41 19.11 19.53 93.77 54.38 -85.78 -11.04 73.46 0.15 26.39 9.15 5.31 57.09 25.86 2.41 0.00 0.06 0.11 62 V C S 37.65 16.96 10.39 26.94 113.99 88.74 -93.81 119.77 96.88 0.61 2.52 47.03 47.09 2.65 2.22 0.46 0.00 0.21 0.34 63 P C C 89.37 4.54 18.85 24.42 113.22 -129.43 -73.15 136.26 94.90 3.56 1.55 91.41 2.37 1.53 0.93 0.45 0.00 2.03 1.29 64 T C C 45.70 17.60 10.58 27.00 121.23 -168.35 -111.98 139.41 80.38 16.08 3.54 71.17 5.51 2.26 2.62 1.15 0.00 8.37 8.91 65 E C C 129.25 3.80 17.00 21.96 112.27 -142.34 -91.64 130.50 76.70 9.27 14.03 53.08 12.92 10.14 11.28 3.58 0.04 6.40 2.56 66 G C C 37.00 6.14 16.19 23.27 125.21 36.67 118.96 -173.09 72.34 2.87 24.79 31.06 26.07 15.34 20.79 4.19 0.05 1.38 1.11 67 D C C 81.93 4.87 18.40 23.67 106.89 -45.91 -85.15 103.45 64.45 1.47 34.08 50.66 5.13 7.19 32.88 2.82 0.00 0.68 0.64 68 L H H 33.88 18.71 12.91 31.15 94.31 -158.02 -65.18 -35.15 11.79 0.15 88.06 7.54 1.64 3.04 86.29 1.36 0.00 0.07 0.05 69 R H H 114.55 9.96 17.80 28.19 91.57 55.90 -62.44 -40.93 2.82 0.03 97.15 1.23 0.40 1.17 96.40 0.77 0.00 0.02 0.01 70 R H H 139.09 2.46 20.90 22.86 91.96 49.61 -65.82 -40.18 1.42 0.02 98.55 0.63 0.19 0.62 97.96 0.59 0.00 0.01 0.00 71 E H H 71.24 9.10 19.57 29.36 92.25 49.75 -65.39 -41.29 0.87 0.01 99.12 0.34 0.10 0.39 98.84 0.31 0.00 0.00 0.00 72 I H H 18.38 19.22 16.90 36.11 91.84 49.25 -64.18 -42.95 0.80 0.01 99.20 0.26 0.08 0.40 99.06 0.21 0.00 0.00 0.00 73 S H H 42.10 8.37 20.77 29.82 91.68 51.06 -63.39 -41.85 0.97 0.01 99.02 0.23 0.08 0.55 98.95 0.19 0.00 0.00 0.00 74 M H H 86.00 3.25 23.22 25.83 91.66 50.15 -64.26 -41.49 0.84 0.00 99.15 0.16 0.07 0.52 99.10 0.15 0.00 0.00 0.00 75 N H H 30.38 14.47 20.22 34.91 91.89 50.27 -64.91 -41.38 0.95 0.00 99.05 0.13 0.06 0.63 99.04 0.13 0.00 0.00 0.00 76 I H H 19.23 19.55 18.12 37.44 91.79 50.62 -63.79 -42.08 0.42 0.00 99.58 0.05 0.03 0.27 99.58 0.08 0.00 0.00 0.00 77 K H H 115.69 3.60 23.56 27.02 91.63 51.14 -63.52 -41.42 0.28 0.00 99.72 0.03 0.01 0.17 99.70 0.08 0.00 0.00 0.00 78 R H H 106.03 5.13 22.12 27.50 91.82 49.63 -64.81 -41.10 0.47 0.00 99.53 0.04 0.02 0.34 99.46 0.13 0.00 0.00 0.00 79 L H H 12.44 18.95 14.96 34.39 91.91 50.40 -64.42 -41.71 0.51 0.00 99.49 0.05 0.03 0.34 99.27 0.30 0.00 0.00 0.00 80 M H H 74.89 11.45 16.71 28.45 91.90 50.82 -63.95 -41.14 0.88 0.00 99.12 0.08 0.04 0.64 98.57 0.66 0.00 0.00 0.00 81 D H H 113.60 1.48 19.79 20.50 91.03 52.63 -66.37 -29.23 5.17 0.00 94.82 0.13 0.17 4.84 94.29 0.57 0.00 0.00 0.00 82 L H H 71.79 9.27 15.36 25.76 93.13 53.21 -85.74 -5.85 49.07 0.03 50.90 0.44 1.34 46.87 50.45 0.85 0.02 0.01 0.03 83 G C T 43.33 5.08 20.11 25.90 97.13 -107.54 84.36 14.20 99.40 0.04 0.56 8.90 3.19 87.44 0.35 0.09 0.00 0.02 0.01 84 C C C 21.77 17.03 13.26 30.67 116.96 149.13 -79.06 145.78 96.71 1.36 1.93 90.66 5.10 0.51 1.68 0.24 0.00 0.30 1.51 85 Y H H 109.17 8.71 21.40 30.81 93.19 -130.59 -64.73 -35.81 14.52 0.14 85.35 2.55 3.50 9.33 82.26 2.17 0.06 0.04 0.09 86 R H H 91.82 11.07 21.48 32.37 92.58 54.55 -65.36 -41.52 8.13 0.06 91.81 0.80 0.96 6.51 89.28 2.36 0.04 0.03 0.03 87 G H H 6.68 14.38 17.08 33.03 92.11 51.43 -63.93 -42.24 5.63 0.08 94.29 1.32 0.74 3.57 90.90 3.38 0.02 0.05 0.02 88 L H H 45.00 8.82 19.55 29.70 91.92 50.03 -64.35 -41.97 3.68 0.08 96.24 1.09 0.59 2.06 93.57 2.60 0.01 0.04 0.02 89 R H H 75.33 8.11 17.98 27.35 92.33 50.41 -64.58 -42.14 4.65 0.17 95.19 1.27 0.72 2.84 92.26 2.73 0.04 0.09 0.06 90 H H H 66.85 11.27 15.35 27.37 92.66 49.29 -65.65 -40.70 5.59 0.11 94.30 1.17 0.56 3.81 90.70 3.62 0.03 0.07 0.03 91 R H H 122.82 7.93 15.97 24.85 91.85 50.18 -67.10 -32.11 12.55 0.10 87.35 0.92 0.96 10.69 84.40 2.86 0.07 0.04 0.05 92 R C T 132.80 4.47 15.39 20.87 95.25 46.51 -93.12 3.59 74.62 0.07 25.31 0.78 2.22 71.08 23.88 1.93 0.01 0.02 0.08 93 S C T 91.45 2.00 16.51 18.98 94.61 -108.73 67.95 26.47 97.97 0.02 2.01 2.32 2.23 93.60 1.63 0.20 0.00 0.01 0.01 94 L C C 52.63 11.19 10.40 23.03 116.91 155.17 -85.97 138.28 99.64 0.27 0.08 88.60 10.88 0.17 0.04 0.03 0.00 0.08 0.21 95 P C C 75.79 4.83 18.13 23.64 111.88 -105.02 -66.49 144.08 98.82 0.69 0.49 93.28 4.66 0.91 0.16 0.24 0.00 0.27 0.50 96 V C C 50.71 16.19 10.99 26.37 114.82 -154.62 -102.69 133.33 85.58 11.76 2.66 72.18 9.04 2.24 1.33 1.20 0.00 2.78 11.23 97 R C T 144.32 5.32 15.77 22.19 109.26 -111.67 -76.53 123.91 84.78 4.06 11.16 23.57 25.12 36.95 4.93 5.21 0.03 1.93 2.26 98 G C T 43.87 5.98 14.46 21.44 100.72 14.43 80.73 -1.75 84.32 1.81 13.87 19.12 25.38 40.71 6.51 6.32 0.02 0.80 1.15 99 Q C C 92.64 8.32 12.40 21.71 101.54 108.51 -77.33 -10.14 72.38 2.08 25.55 36.89 20.55 15.73 16.62 7.98 0.03 0.84 1.37 100 R C C 149.72 4.22 14.51 19.97 101.88 69.06 -81.98 5.74 66.68 2.65 30.67 39.31 14.96 13.02 23.58 6.52 0.03 1.17 1.42 101 T C H 62.84 8.27 12.21 21.75 111.47 107.92 -93.88 122.76 56.21 2.28 41.52 33.41 13.06 10.48 34.21 6.67 0.03 1.08 1.06 102 K C H 125.97 5.50 14.49 21.16 99.27 -133.84 -73.33 -25.24 51.45 1.64 46.91 27.87 12.63 11.82 39.75 6.36 0.04 0.80 0.73 103 T C H 67.17 6.60 14.31 22.10 99.47 63.63 -78.72 -30.87 50.96 1.34 47.69 27.74 11.84 12.29 40.66 6.19 0.03 0.61 0.65 104 N H H 71.82 7.49 14.47 23.10 97.42 57.00 -73.76 -29.02 49.24 1.22 49.55 27.62 10.75 12.21 40.99 7.23 0.03 0.55 0.61 105 A H H 46.27 9.79 12.33 23.19 95.31 67.85 -69.57 -27.95 47.19 1.27 51.54 24.30 9.92 14.30 39.79 10.43 0.04 0.62 0.60 106 R C H 143.47 4.49 14.26 20.08 95.23 65.73 -74.18 -19.49 51.32 1.84 46.84 27.16 11.18 14.36 35.83 9.68 0.04 0.90 0.85 107 T C C 87.99 4.00 13.41 18.57 99.63 56.19 -88.63 -3.84 60.81 2.61 36.58 33.95 13.42 14.56 27.58 7.92 0.04 1.19 1.34 108 R C C 120.24 7.97 9.63 18.77 114.39 101.03 -85.29 134.53 80.57 2.13 17.30 49.91 19.57 10.98 13.43 3.92 0.01 0.90 1.28 109 K C C 159.25 1.76 12.32 15.11 108.59 -152.32 -89.22 106.53 89.66 2.62 7.72 58.17 22.55 8.73 5.47 2.21 0.00 1.07 1.81 110 G C C 37.37 5.52 10.42 17.59 129.05 -104.45 -98.12 175.98 97.21 1.73 1.05 56.07 38.29 3.00 0.42 0.55 0.00 0.76 0.90 111 P C C 101.38 2.82 12.10 16.34 110.52 -58.80 -69.76 143.23 96.36 1.45 2.19 69.47 17.12 9.63 0.49 1.80 0.00 0.80 0.70 112 R C C 156.31 4.66 9.25 15.90 114.31 -132.19 -89.47 130.80 95.53 2.54 1.93 70.46 19.15 5.68 0.52 1.43 0.00 1.22 1.55 113 K C C 145.47 2.29 11.13 15.05 117.59 -134.80 -95.62 137.82 97.61 1.94 0.46 69.93 26.91 0.96 0.18 0.25 0.00 1.00 0.77 114 P C C 96.95 3.90 9.78 15.78 113.92 -107.41 -65.95 146.36 95.70 3.02 1.28 82.96 9.67 3.09 0.38 0.83 0.00 1.80 1.25 115 I C C 110.41 5.56 7.38 14.67 112.75 -123.02 -85.57 132.80 92.48 5.72 1.80 77.55 10.52 4.12 0.57 1.18 0.00 3.19 2.88 116 K C C 158.55 1.61 9.30 12.45 114.57 -135.41 -92.16 133.82 95.27 3.63 1.10 91.04 2.23 2.60 0.34 0.47 0.00 2.11 1.21 117 K C C 154.96 2.72 10.36 14.97 111.62 -120.44 -83.40 129.85 99.87 0.11 0.03 99.12 0.48 0.31 0.01 0.01 0.00 0.05 0.02