# 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 G C C 35.99 6.75 14.58 22.51 129.01 -132.52 102.21 167.41 99.92 0.07 0.01 99.46 0.45 0.04 0.00 0.00 0.00 0.03 0.02 1 P C C 99.32 4.28 13.42 19.12 108.26 -61.29 -71.54 135.86 93.22 0.83 5.95 73.12 3.10 17.68 1.40 3.80 0.00 0.48 0.42 2 G C C 47.68 5.25 11.82 18.45 111.93 -0.29 75.88 -17.68 87.87 2.87 9.26 46.61 15.22 26.08 1.72 7.58 0.00 1.54 1.26 3 H C C 126.92 5.44 13.34 20.03 110.11 -86.51 -90.64 106.82 77.46 8.55 14.00 46.23 16.55 14.83 3.37 10.73 0.01 5.05 3.22 4 M C C 95.35 10.25 11.86 22.59 111.25 66.25 -92.12 113.37 74.42 13.00 12.58 50.59 12.58 10.83 4.17 8.65 0.02 8.15 5.02 5 S C C 67.47 6.32 14.46 22.02 112.37 153.68 -96.86 123.01 79.59 10.51 9.90 45.21 14.90 20.13 2.89 6.72 0.01 6.61 3.52 6 G C C 44.91 6.80 14.07 21.90 108.74 -39.36 84.40 -2.63 84.42 6.90 8.68 36.88 23.09 25.38 1.87 6.49 0.01 3.92 2.35 7 R C C 147.07 5.37 15.35 21.92 107.21 99.94 -91.66 45.43 82.35 8.64 9.01 41.44 20.90 20.71 2.12 6.66 0.02 4.50 3.65 8 G C C 34.98 9.82 12.29 22.72 119.40 -143.05 84.66 166.62 86.46 6.73 6.82 43.08 22.54 21.12 1.35 5.60 0.01 3.43 2.88 9 K C C 148.80 3.34 15.34 19.92 108.36 -75.13 -86.86 112.38 84.59 7.28 8.13 36.77 20.82 27.64 1.56 6.41 0.01 3.74 3.05 10 G C T 50.50 4.61 14.33 20.22 106.83 9.17 85.55 0.34 87.36 5.07 7.58 31.54 23.82 32.40 1.25 6.31 0.01 2.60 2.08 11 G C C 37.20 9.38 12.17 22.24 118.71 -107.10 48.26 170.91 86.26 6.12 7.62 42.53 24.10 19.66 1.34 6.57 0.01 3.07 2.73 12 K C C 143.41 3.58 15.63 20.49 110.05 -108.61 -93.98 114.90 81.96 9.57 8.47 41.33 20.60 20.59 1.85 6.61 0.02 4.91 4.09 13 G C C 40.64 7.83 13.39 22.09 116.93 -106.00 76.32 -144.09 84.08 8.13 7.79 40.58 21.65 22.33 1.62 6.20 0.01 4.36 3.24 14 L C C 96.36 8.51 13.14 22.35 107.57 -56.75 -89.40 60.09 81.58 9.80 8.62 38.03 21.68 22.82 2.34 5.92 0.03 5.09 4.10 15 G C C 40.44 6.26 13.18 20.69 116.95 -0.30 87.07 -163.42 84.36 6.99 8.64 37.00 26.09 22.14 2.47 5.70 0.02 3.52 3.06 16 K C T 154.55 2.50 13.64 17.31 108.70 -61.11 -81.12 106.89 78.95 4.97 16.08 28.26 22.21 29.69 6.47 8.48 0.04 2.42 2.42 17 G C T 53.08 3.20 13.78 18.00 104.56 10.83 67.40 -12.95 78.48 2.47 19.05 22.45 21.31 35.56 9.07 9.02 0.04 1.17 1.39 18 G C C 39.29 7.00 13.29 21.39 107.39 -23.33 45.77 -55.73 68.85 2.49 28.66 30.65 19.26 20.09 16.94 10.50 0.05 1.07 1.45 19 A C H 51.29 9.73 12.10 22.65 107.47 28.72 -78.05 118.76 52.85 3.94 43.21 29.94 12.66 11.80 31.82 10.07 0.09 2.07 1.55 20 K H H 124.58 4.59 15.59 21.34 108.26 -5.73 -79.51 102.03 43.48 5.49 51.03 27.72 8.79 9.09 40.26 8.97 0.08 3.49 1.60 21 R H H 127.79 6.42 15.71 23.17 106.00 47.32 -75.83 91.00 37.66 5.33 57.01 26.08 6.63 7.21 47.83 7.24 0.04 3.60 1.37 22 H H H 73.35 13.30 14.23 27.44 102.24 52.73 -79.56 -7.79 34.37 3.54 62.09 25.62 5.06 5.78 55.39 4.91 0.02 2.33 0.88 23 R H H 110.47 10.50 16.15 26.85 98.87 54.96 -68.20 -35.87 21.25 1.96 76.79 15.37 3.34 4.42 70.87 4.21 0.02 1.38 0.40 24 K H H 116.05 4.74 18.55 23.84 96.96 52.24 -70.75 -35.66 14.82 2.21 82.97 9.65 2.43 4.15 76.85 4.71 0.03 1.82 0.37 25 V H H 51.39 10.41 16.39 27.73 98.16 50.68 -72.54 -37.24 12.54 2.45 85.01 7.80 2.01 3.85 78.85 4.94 0.03 2.17 0.35 26 L H H 42.35 15.69 14.48 30.02 96.65 50.71 -70.36 -35.49 13.72 1.97 84.31 8.13 2.30 4.56 77.22 5.74 0.04 1.66 0.35 27 R H H 118.06 9.17 17.04 26.54 95.83 54.25 -69.12 -33.87 17.31 1.28 81.41 7.72 3.02 7.73 73.08 7.10 0.07 0.95 0.34 28 D H H 92.50 4.42 18.07 23.14 97.34 51.30 -76.36 -23.05 26.81 0.72 72.47 6.82 4.25 16.23 63.21 8.60 0.15 0.43 0.30 29 N H H 74.17 9.99 17.04 27.25 100.39 43.66 -92.70 4.75 41.98 0.94 57.09 10.91 6.19 25.49 47.22 9.09 0.12 0.51 0.47 30 I C C 30.85 20.45 11.72 30.81 101.06 78.28 -90.44 9.31 57.54 4.59 37.87 28.22 8.68 21.81 26.69 9.80 0.14 2.47 2.19 31 Q C T 120.26 4.77 17.52 23.89 107.95 122.80 -70.84 118.50 81.89 2.84 15.27 11.88 7.08 62.12 11.14 4.75 0.06 1.70 1.26 32 G C T 50.60 4.24 19.41 24.03 98.46 22.77 83.30 -1.84 91.73 1.33 6.95 11.06 10.70 70.34 2.99 3.56 0.01 0.90 0.44 33 I C C 23.50 21.53 10.09 30.71 115.52 117.38 -89.01 129.87 94.74 4.20 1.06 80.06 13.61 0.74 0.75 0.34 0.00 1.72 2.77 34 T C C 67.80 4.21 22.35 26.16 123.04 -144.72 -89.67 160.07 96.03 2.94 1.03 94.19 1.66 0.29 0.90 0.12 0.00 0.87 1.97 35 K H H 101.25 12.43 14.89 27.35 92.35 -104.38 -58.49 -40.15 2.69 0.02 97.29 0.69 0.49 1.31 97.12 0.37 0.00 0.01 0.00 36 P H H 76.01 2.81 20.83 23.08 91.58 52.57 -63.40 -39.36 1.55 0.01 98.44 0.30 0.15 0.96 98.12 0.47 0.00 0.00 0.00 37 A H H 24.26 10.11 18.10 29.87 91.80 50.80 -64.66 -40.95 0.61 0.01 99.37 0.16 0.06 0.32 99.03 0.42 0.00 0.01 0.00 38 I H H 11.28 21.66 15.31 36.98 92.00 50.00 -64.61 -42.24 0.45 0.01 99.53 0.13 0.06 0.22 99.41 0.17 0.00 0.01 0.00 39 R H H 107.55 8.72 20.79 29.76 91.54 50.89 -63.33 -41.32 0.83 0.02 99.15 0.23 0.10 0.43 99.11 0.12 0.00 0.01 0.00 40 R H H 122.39 2.91 22.74 24.84 91.93 49.92 -64.54 -42.03 1.14 0.04 98.82 0.28 0.15 0.64 98.75 0.16 0.00 0.02 0.01 41 L H H 30.66 13.20 18.05 32.22 92.20 49.96 -64.83 -41.93 1.68 0.08 98.24 0.43 0.24 0.97 97.94 0.35 0.01 0.04 0.02 42 A H H 16.59 16.48 14.24 31.14 92.13 51.45 -64.27 -40.48 3.95 0.11 95.94 0.94 0.38 2.52 95.21 0.85 0.01 0.06 0.02 43 R H H 157.37 2.61 18.08 21.33 92.51 50.23 -66.14 -37.80 9.66 0.16 90.18 1.34 0.86 7.32 88.91 1.39 0.04 0.08 0.05 44 R H H 154.72 2.67 16.29 19.51 93.92 53.14 -71.05 -26.62 24.79 0.25 74.95 1.88 2.41 20.83 72.53 1.96 0.13 0.11 0.14 45 G C T 35.05 9.70 13.10 23.46 97.64 49.22 -86.55 -4.51 70.46 0.19 29.35 2.34 5.27 61.05 29.04 2.06 0.02 0.07 0.14 46 G C T 52.74 2.70 17.86 20.60 98.57 -108.70 81.27 10.57 97.65 0.33 2.02 20.17 10.92 66.84 0.94 0.82 0.00 0.19 0.12 47 V C C 37.67 16.73 8.70 24.75 113.66 145.32 -84.68 127.15 91.83 5.21 2.96 85.66 4.53 1.85 1.35 1.38 0.00 3.40 1.84 48 K C C 156.51 1.80 18.35 20.13 99.90 -168.82 -90.39 -23.43 88.64 7.47 3.89 61.44 22.27 5.26 1.47 2.39 0.00 6.01 1.15 49 R C C 142.23 4.20 18.53 23.73 122.61 25.33 -123.92 136.86 68.19 26.81 5.00 53.13 10.03 4.76 2.25 2.99 0.02 23.55 3.27 50 I C C 39.64 19.56 10.34 28.63 118.03 -165.03 -111.51 124.96 57.97 38.14 3.89 51.72 3.70 1.22 3.07 1.31 0.01 29.49 9.49 51 S C C 57.64 4.75 17.86 23.28 124.31 152.31 -107.66 164.41 82.04 13.37 4.58 74.89 4.68 2.13 3.78 1.08 0.00 11.71 1.72 52 G H H 46.39 3.94 17.19 21.59 100.82 -7.92 2.32 -57.32 35.94 0.94 63.12 7.03 11.40 19.56 56.19 4.71 0.24 0.46 0.41 53 L H H 95.85 4.07 17.08 21.65 94.04 35.47 -68.39 -35.51 21.35 0.54 78.12 4.33 3.84 14.25 72.12 4.76 0.17 0.32 0.22 54 I H H 41.98 12.73 15.56 29.05 92.41 52.71 -65.28 -41.29 12.23 0.81 86.96 4.78 2.21 6.50 81.03 4.56 0.08 0.64 0.19 55 Y H H 60.11 14.58 15.68 30.35 91.88 52.18 -63.66 -42.42 4.69 0.53 94.78 2.39 0.79 2.03 92.32 1.89 0.02 0.50 0.06 56 E H H 115.58 3.14 20.67 23.83 91.85 49.62 -64.85 -40.77 3.37 0.38 96.25 1.28 0.47 1.76 94.60 1.45 0.01 0.39 0.04 57 E H H 97.35 5.10 20.79 26.06 92.62 47.23 -66.35 -40.99 5.09 0.29 94.63 1.16 0.58 3.31 93.16 1.45 0.02 0.27 0.05 58 T H H 18.38 18.04 17.04 34.99 92.81 47.86 -67.22 -40.52 8.17 0.19 91.64 1.55 0.90 5.58 90.81 0.98 0.02 0.12 0.05 59 R H H 84.95 13.73 19.52 32.68 91.75 52.81 -62.63 -41.32 4.10 0.05 95.86 1.00 0.42 2.56 95.56 0.43 0.00 0.02 0.01 60 G H H 33.07 3.64 22.64 26.05 91.52 50.99 -63.76 -41.47 3.37 0.02 96.61 0.50 0.26 2.51 96.18 0.53 0.00 0.01 0.00 61 V H H 48.39 9.44 21.46 31.44 91.94 49.45 -65.04 -42.34 0.71 0.01 99.28 0.16 0.06 0.42 99.13 0.22 0.00 0.00 0.00 62 L H H 19.83 19.32 18.15 37.44 91.84 50.68 -64.35 -42.35 0.18 0.00 99.82 0.04 0.01 0.09 99.80 0.06 0.00 0.00 0.00 63 K H H 93.17 9.41 21.58 31.12 91.66 51.74 -63.39 -41.34 0.11 0.00 99.89 0.01 0.01 0.06 99.89 0.03 0.00 0.00 0.00 64 V H H 72.06 4.08 23.14 26.83 91.60 49.97 -64.12 -42.48 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 F H H 55.68 12.84 20.94 33.73 91.92 49.12 -64.70 -42.72 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 66 L H H 24.67 18.37 18.69 37.00 91.82 49.63 -64.53 -41.97 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 67 E H H 87.94 7.09 22.25 29.66 91.66 51.30 -64.02 -41.26 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 68 N H H 69.69 5.60 23.12 28.77 92.04 49.27 -66.08 -40.69 0.31 0.00 99.69 0.02 0.01 0.22 99.73 0.02 0.00 0.00 0.00 69 V H H 23.40 16.29 19.83 36.32 91.84 49.50 -64.66 -43.08 0.39 0.00 99.61 0.04 0.02 0.24 99.65 0.04 0.00 0.00 0.00 70 I H H 38.60 15.49 20.23 35.51 91.58 50.40 -63.57 -42.53 0.33 0.00 99.67 0.07 0.02 0.18 99.65 0.08 0.00 0.00 0.00 71 R H H 129.22 3.47 24.36 27.62 91.49 50.10 -63.67 -41.84 0.43 0.00 99.57 0.06 0.02 0.28 99.52 0.10 0.00 0.00 0.00 72 D H H 57.04 7.58 22.82 30.75 91.84 48.49 -65.70 -40.81 0.94 0.00 99.06 0.12 0.06 0.66 99.00 0.16 0.00 0.00 0.00 73 A H H 11.51 18.30 17.67 36.47 91.97 51.06 -63.82 -41.88 1.49 0.01 98.50 0.23 0.12 1.00 98.35 0.30 0.00 0.00 0.00 74 V H H 53.13 9.37 20.88 30.84 91.77 50.17 -64.26 -41.95 2.91 0.06 97.03 0.56 0.33 1.85 96.70 0.49 0.01 0.03 0.01 75 T H H 70.53 2.73 22.94 24.55 91.64 49.65 -64.46 -42.20 5.87 0.15 93.97 1.43 0.75 3.60 93.28 0.79 0.02 0.09 0.04 76 Y H H 64.31 10.53 18.42 29.82 92.54 47.78 -66.44 -40.55 8.45 0.34 91.21 2.58 1.35 4.84 89.25 1.62 0.05 0.20 0.10 77 T H H 23.41 14.64 13.70 29.10 92.23 51.53 -66.21 -37.66 12.14 0.37 87.48 4.77 1.73 5.91 84.82 2.40 0.03 0.22 0.11 78 E H H 124.07 2.71 17.78 20.80 92.25 52.94 -65.12 -38.03 18.50 0.24 81.26 3.74 2.10 12.33 79.02 2.55 0.04 0.13 0.10 79 H H H 131.97 2.30 15.93 18.26 94.03 48.63 -76.59 -22.76 29.30 0.31 70.39 4.56 4.04 20.79 68.02 2.23 0.07 0.13 0.16 80 A C T 39.69 11.87 9.44 21.56 101.08 65.66 -82.94 -1.89 67.28 0.79 31.93 18.11 15.67 32.33 30.76 2.35 0.03 0.27 0.48 81 K C T 176.00 0.77 15.72 15.22 95.85 -129.58 25.14 15.95 91.11 0.48 8.42 25.58 15.41 50.13 6.33 2.06 0.00 0.21 0.27 82 R C C 106.97 7.47 10.89 20.00 124.74 106.98 -109.79 147.10 91.62 1.44 6.93 60.51 19.66 11.44 4.11 2.76 0.00 0.64 0.88 83 K C S 155.62 2.85 15.16 19.18 97.08 -148.43 -83.67 -16.19 94.84 1.84 3.31 33.52 54.09 7.48 1.90 1.36 0.00 1.16 0.50 84 T C C 79.25 4.40 19.04 24.42 129.28 40.84 -131.24 145.31 70.88 25.18 3.94 43.43 23.44 5.03 2.36 1.92 0.02 19.81 4.00 85 V C C 21.70 20.93 11.69 32.16 118.62 -154.14 -110.82 130.13 64.58 33.55 1.87 58.72 5.24 0.42 1.80 0.41 0.00 25.32 8.08 86 T C C 56.04 5.67 23.92 29.49 125.35 -149.99 -93.02 163.10 77.72 20.92 1.37 77.67 1.37 0.23 1.37 0.16 0.00 16.45 2.74 87 A H H 37.99 15.87 15.51 31.40 91.05 -104.10 -58.14 -38.91 2.16 0.01 97.83 0.40 0.29 1.30 97.55 0.44 0.00 0.00 0.00 88 M H H 100.52 4.97 22.31 27.35 91.55 54.64 -63.70 -39.88 0.78 0.00 99.22 0.10 0.06 0.52 98.98 0.34 0.00 0.00 0.00 89 D H H 40.16 11.85 20.76 33.09 91.85 50.32 -65.40 -40.36 0.27 0.00 99.73 0.05 0.02 0.16 99.46 0.30 0.00 0.00 0.00 90 V H H 7.83 22.78 18.13 40.83 91.72 49.56 -64.56 -43.52 0.12 0.00 99.88 0.02 0.01 0.07 99.82 0.09 0.00 0.00 0.00 91 V H H 41.76 11.43 21.76 33.70 91.63 49.87 -63.36 -43.04 0.13 0.00 99.87 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 92 Y H H 98.26 4.15 24.08 28.05 91.54 49.01 -63.94 -42.35 0.22 0.00 99.78 0.02 0.01 0.15 99.74 0.07 0.00 0.00 0.00 93 A H H 10.71 13.99 17.98 33.64 91.51 50.69 -63.01 -42.85 0.47 0.00 99.52 0.05 0.02 0.32 99.45 0.15 0.00 0.00 0.00 94 L H H 22.32 16.63 15.88 33.02 92.06 49.65 -64.26 -41.47 1.37 0.01 98.62 0.21 0.10 0.91 98.32 0.44 0.00 0.00 0.00 95 K H H 127.22 3.95 17.76 22.73 91.85 50.44 -64.75 -39.46 3.63 0.02 96.35 0.46 0.25 2.64 95.67 0.96 0.00 0.01 0.00 96 R H H 150.61 3.03 16.20 20.13 92.54 51.11 -68.56 -31.41 11.70 0.06 88.25 0.86 0.79 9.79 87.43 1.07 0.02 0.02 0.03 97 Q C H 89.57 8.16 13.08 22.31 95.46 48.33 -87.49 -4.59 54.37 0.20 45.42 2.57 4.00 45.65 46.09 1.44 0.03 0.07 0.13 98 G C T 56.28 2.49 15.63 18.70 97.79 -112.92 79.53 12.59 96.75 0.31 2.94 19.07 8.84 69.23 1.86 0.73 0.00 0.15 0.11 99 R C C 109.46 8.60 12.38 22.30 121.43 132.94 -101.31 142.52 94.28 2.50 3.22 82.22 9.44 2.61 1.81 1.29 0.00 1.21 1.42 100 T C C 76.53 6.52 15.62 23.42 119.07 -139.90 -97.98 141.39 91.01 5.28 3.71 83.60 4.62 2.65 1.79 1.68 0.00 2.90 2.78 101 L C C 72.96 13.44 12.54 25.67 104.10 -133.89 -81.88 8.76 81.51 7.89 10.60 38.74 23.22 20.51 2.96 6.89 0.06 3.71 3.91 102 Y C T 133.84 7.39 14.10 22.22 107.79 41.99 -88.18 92.09 83.63 5.65 10.72 17.76 24.06 42.21 2.71 7.51 0.05 3.11 2.59 103 G C C 52.73 3.82 13.77 18.79 103.20 -21.76 82.65 0.39 87.70 3.97 8.33 32.58 23.10 32.51 1.59 6.49 0.01 2.04 1.68 104 F C C 118.53 7.37 9.73 18.27 107.12 111.81 -92.46 47.11 88.16 6.64 5.20 55.21 15.15 17.83 1.54 3.40 0.01 3.23 3.64 105 G C C 53.72 3.30 12.29 17.13 108.04 -43.52 89.89 5.38 95.13 3.00 1.88 75.74 5.12 14.46 0.49 1.14 0.00 1.90 1.16 106 G C C 48.95 4.67 13.65 19.88 112.74 -56.66 88.52 -155.85 99.79 0.18 0.03 99.16 0.48 0.20 0.01 0.01 0.00 0.11 0.03