# 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 L C C 86.87 9.42 11.85 22.04 112.95 -150.71 -91.38 126.32 99.72 0.24 0.05 99.67 0.11 0.05 0.02 0.00 0.00 0.10 0.04 1 R C C 148.94 4.61 11.52 17.74 110.64 -163.95 -90.01 123.61 80.76 2.69 16.55 72.83 1.96 7.95 6.06 8.32 0.00 1.67 1.21 2 D C C 102.66 4.05 11.41 17.13 107.60 58.28 -87.90 86.12 69.48 2.40 28.12 34.89 14.22 21.26 6.38 20.90 0.01 1.32 1.03 3 N C C 100.96 4.91 13.26 19.45 104.77 62.87 -93.39 52.02 67.02 2.75 30.23 36.05 12.73 18.89 6.13 23.57 0.01 1.58 1.06 4 I C C 53.45 15.57 9.46 24.19 103.70 138.27 -93.59 25.60 66.86 6.60 26.54 46.33 8.70 11.49 6.24 20.55 0.01 4.15 2.54 5 Q C T 126.65 3.53 14.96 20.22 111.31 133.77 -77.59 123.21 83.91 5.08 11.01 21.61 9.76 53.08 4.27 6.11 0.02 3.24 1.91 6 G C T 53.12 3.37 17.27 21.32 98.46 20.03 84.20 -0.85 91.19 2.68 6.12 16.65 15.43 59.51 1.48 4.38 0.00 1.85 0.69 7 I C C 33.39 19.05 9.16 27.16 116.10 116.73 -92.01 128.92 93.75 5.16 1.09 78.07 14.52 0.83 0.72 0.39 0.00 2.10 3.37 8 T C C 70.53 3.45 20.47 23.51 121.87 -140.87 -86.67 159.72 96.54 2.38 1.08 94.56 1.83 0.31 0.98 0.12 0.00 0.80 1.41 9 K H H 112.71 9.70 13.87 24.43 92.71 -106.29 -58.78 -39.38 3.15 0.02 96.84 0.95 0.58 1.36 96.76 0.33 0.00 0.01 0.01 10 P H H 78.95 2.29 19.01 20.63 91.63 52.31 -63.30 -39.32 1.81 0.01 98.18 0.41 0.18 1.05 97.91 0.45 0.00 0.01 0.00 11 A H H 29.26 8.05 16.89 26.88 91.84 50.90 -64.69 -40.51 0.72 0.01 99.27 0.22 0.07 0.35 98.94 0.41 0.00 0.01 0.00 12 I H H 17.90 18.57 14.10 32.81 92.05 50.25 -64.39 -42.21 0.52 0.01 99.47 0.17 0.07 0.23 99.34 0.18 0.00 0.01 0.00 13 R H H 117.71 5.88 19.63 26.25 91.69 50.66 -63.58 -41.01 0.88 0.03 99.10 0.29 0.10 0.40 99.08 0.11 0.00 0.01 0.00 14 R H H 126.31 2.33 20.78 22.13 91.97 49.76 -64.56 -41.97 1.16 0.04 98.80 0.32 0.15 0.60 98.76 0.13 0.00 0.02 0.01 15 L H H 37.68 10.60 15.94 28.17 92.18 49.99 -64.86 -41.62 1.69 0.09 98.22 0.50 0.24 0.89 98.00 0.30 0.01 0.05 0.02 16 A H H 26.55 12.52 13.01 26.61 92.22 51.72 -63.88 -39.83 3.35 0.09 96.56 0.86 0.32 2.06 95.96 0.73 0.01 0.05 0.02 17 R H H 168.64 1.56 16.42 17.88 92.44 49.67 -66.63 -36.91 8.63 0.11 91.26 1.00 0.72 6.79 90.19 1.16 0.03 0.06 0.04 18 R H H 163.64 1.78 14.25 16.24 95.07 50.60 -74.64 -25.12 26.75 0.15 73.10 1.34 2.14 23.44 71.16 1.68 0.09 0.06 0.09 19 G C T 43.98 5.66 11.96 18.93 99.53 38.70 -90.73 -4.62 64.12 0.15 35.72 2.35 6.07 53.99 35.63 1.74 0.02 0.06 0.12 20 G C T 54.64 2.08 15.04 17.39 99.10 -114.09 78.94 13.81 98.31 0.45 1.25 36.21 13.49 48.83 0.42 0.64 0.00 0.26 0.14 21 V C C 50.73 13.34 7.65 20.89 113.83 149.00 -84.70 130.65 91.68 6.94 1.39 87.58 3.28 1.10 0.48 0.75 0.00 5.11 1.70 22 K C C 165.11 1.12 16.23 16.79 99.92 -173.70 -91.56 -24.74 90.00 8.89 1.11 55.34 31.30 3.66 0.23 0.94 0.00 7.72 0.80 23 R C C 155.20 2.39 16.76 19.80 127.25 18.73 -133.32 140.87 55.01 43.33 1.66 43.16 9.28 2.86 0.50 1.22 0.00 40.62 2.35 24 I E E 57.46 16.77 8.71 24.32 119.98 -166.07 -115.57 128.59 40.23 58.73 1.04 36.25 1.96 0.43 0.80 0.44 0.00 49.28 10.86 25 S C C 62.22 3.25 16.09 19.90 124.27 -164.76 -102.42 164.33 77.32 21.30 1.38 73.06 2.75 0.81 0.93 0.40 0.00 20.76 1.29 26 G H H 50.43 2.83 14.98 18.41 100.85 -38.69 -6.30 -48.93 37.99 0.79 61.22 5.26 10.28 23.43 53.32 6.68 0.28 0.41 0.35 27 L H H 104.02 2.71 14.86 17.93 93.77 40.07 -68.78 -34.14 24.31 0.41 75.28 4.22 3.92 16.81 67.12 7.37 0.15 0.22 0.18 28 I H H 57.22 8.83 13.69 23.99 92.96 54.66 -65.07 -41.27 12.92 0.41 86.67 4.74 2.20 6.89 78.82 6.89 0.05 0.26 0.13 29 Y H H 79.64 10.85 14.14 25.86 92.27 52.43 -63.78 -41.87 4.32 0.11 95.58 2.00 0.69 1.91 93.23 2.07 0.01 0.06 0.03 30 E H H 118.69 2.32 18.60 20.72 92.17 49.79 -64.92 -40.89 2.61 0.03 97.35 0.77 0.33 1.49 95.95 1.43 0.01 0.02 0.01 31 E H H 105.77 3.25 18.89 22.18 92.54 47.74 -66.16 -41.10 4.05 0.02 95.93 0.58 0.37 2.92 94.72 1.37 0.01 0.01 0.01 32 T H H 30.31 13.40 15.77 29.86 93.02 47.79 -67.48 -40.48 7.15 0.02 92.83 0.93 0.64 5.26 92.23 0.91 0.01 0.01 0.01 33 R H H 96.37 10.25 17.79 28.41 91.84 53.21 -63.06 -41.29 3.16 0.01 96.83 0.58 0.28 2.04 96.74 0.36 0.00 0.00 0.00 34 G H H 34.70 2.93 20.08 22.78 91.83 51.01 -63.62 -41.41 2.93 0.01 97.06 0.38 0.20 2.14 96.85 0.43 0.00 0.00 0.00 35 V H H 65.11 5.42 19.66 25.82 91.83 49.85 -64.65 -41.88 0.65 0.00 99.34 0.12 0.04 0.39 99.26 0.19 0.00 0.00 0.00 36 L H H 39.30 13.47 16.50 30.66 91.90 50.60 -64.24 -41.77 0.16 0.00 99.84 0.03 0.01 0.08 99.83 0.06 0.00 0.00 0.00 37 K H H 102.08 6.36 19.20 26.26 91.79 51.66 -63.75 -41.20 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 38 V H H 79.74 2.58 20.38 22.19 91.77 49.89 -64.15 -42.53 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 39 F H H 82.77 7.71 18.96 27.53 91.99 48.83 -64.79 -42.30 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 40 L H H 43.95 12.98 16.78 30.34 92.00 50.28 -64.78 -41.26 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 41 E H H 97.27 4.42 19.97 24.80 91.88 51.07 -64.06 -41.26 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 42 N H H 78.66 3.50 20.66 24.00 92.05 49.52 -65.75 -40.70 0.33 0.00 99.67 0.02 0.01 0.24 99.71 0.02 0.00 0.00 0.00 43 V H H 38.18 11.64 18.01 30.56 92.18 49.46 -64.56 -42.77 0.45 0.00 99.55 0.05 0.02 0.28 99.61 0.04 0.00 0.00 0.00 44 I H H 59.02 10.67 18.53 29.85 91.75 50.33 -63.84 -42.31 0.34 0.00 99.66 0.07 0.02 0.19 99.64 0.08 0.00 0.00 0.00 45 R H H 136.67 2.33 22.45 23.84 91.66 49.93 -63.89 -41.84 0.40 0.00 99.60 0.06 0.02 0.25 99.56 0.10 0.00 0.00 0.00 46 D H H 65.13 5.38 20.87 26.68 91.98 48.66 -65.40 -40.88 0.84 0.00 99.16 0.11 0.05 0.58 99.11 0.14 0.00 0.00 0.00 47 A H H 17.57 14.38 16.21 31.63 91.97 51.09 -63.99 -41.70 1.31 0.01 98.68 0.20 0.11 0.85 98.60 0.23 0.00 0.00 0.00 48 V H H 63.68 6.38 19.63 26.86 91.91 50.05 -64.35 -41.28 2.35 0.04 97.61 0.46 0.27 1.44 97.46 0.34 0.01 0.02 0.01 49 T H H 73.01 2.17 21.26 22.00 91.88 49.72 -64.40 -42.03 4.26 0.10 95.64 1.06 0.55 2.51 95.22 0.56 0.01 0.05 0.02 50 Y H H 77.94 7.83 17.06 26.21 92.45 48.85 -65.96 -40.87 5.50 0.19 94.31 1.55 0.85 3.23 92.95 1.23 0.03 0.11 0.05 51 T H H 29.54 11.70 12.84 25.98 92.21 51.55 -66.36 -38.99 8.04 0.19 91.78 2.64 1.09 4.31 89.91 1.86 0.02 0.11 0.05 52 E H H 128.19 1.98 16.56 18.46 92.43 52.30 -65.93 -38.12 13.73 0.12 86.15 2.19 1.44 9.75 84.53 1.95 0.03 0.06 0.05 53 H H H 139.60 1.51 14.55 15.74 94.18 47.71 -73.92 -25.14 24.40 0.17 75.43 3.00 3.12 18.16 73.85 1.66 0.05 0.07 0.09 54 A C H 46.54 9.09 8.83 18.87 100.85 60.82 -84.35 -3.92 66.08 0.56 33.36 16.39 15.25 32.72 33.15 1.91 0.02 0.18 0.37 55 K C T 178.81 0.60 14.46 13.62 96.13 -129.50 42.74 18.03 92.64 0.32 7.04 24.74 15.75 52.22 5.21 1.75 0.00 0.13 0.20 56 R C C 117.54 5.57 9.98 17.52 124.39 107.93 -111.10 147.45 93.41 0.94 5.65 59.16 22.45 11.87 3.07 2.43 0.00 0.39 0.64 57 K C S 161.37 2.14 13.79 16.94 96.97 -146.44 -82.45 -16.40 96.56 1.26 2.18 29.12 61.00 6.76 0.95 1.03 0.00 0.79 0.35 58 T C C 85.29 3.31 17.46 21.60 129.26 41.28 -132.34 145.79 72.46 24.81 2.74 44.04 25.04 4.56 1.35 1.60 0.01 19.50 3.92 59 V C C 31.44 18.33 10.27 28.11 119.17 -153.58 -111.15 130.36 66.04 33.02 0.94 60.72 5.17 0.28 0.91 0.24 0.00 24.70 7.99 60 T C C 62.10 4.29 21.58 25.63 124.38 -146.08 -90.71 163.24 81.63 17.72 0.65 82.13 1.09 0.13 0.63 0.08 0.00 14.01 1.94 61 A H H 52.51 11.67 14.12 26.44 91.11 -104.61 -58.35 -39.34 1.88 0.01 98.11 0.30 0.25 1.14 97.93 0.37 0.00 0.00 0.00 62 M H H 111.61 2.94 20.21 22.95 91.49 54.30 -64.14 -39.99 0.58 0.00 99.42 0.07 0.04 0.39 99.24 0.27 0.00 0.00 0.00 63 D H H 43.34 10.27 18.46 29.75 91.91 50.42 -65.43 -40.44 0.19 0.00 99.81 0.03 0.01 0.11 99.61 0.24 0.00 0.00 0.00 64 V H H 15.97 19.01 16.38 35.44 91.80 49.84 -64.27 -43.10 0.08 0.00 99.92 0.01 0.00 0.05 99.87 0.07 0.00 0.00 0.00 65 V H H 56.03 7.60 20.29 28.77 91.39 49.86 -63.54 -42.67 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 66 Y H H 107.23 3.17 22.19 24.80 91.62 48.99 -63.98 -42.06 0.22 0.00 99.78 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 67 A H H 14.62 11.88 16.45 30.35 91.33 50.89 -63.18 -42.71 0.53 0.00 99.47 0.05 0.03 0.36 99.38 0.18 0.00 0.00 0.00 68 L H H 33.59 13.06 14.85 29.04 92.08 49.80 -64.33 -41.14 1.74 0.01 98.25 0.26 0.13 1.17 97.87 0.56 0.00 0.00 0.00 69 K H H 132.19 2.64 16.62 19.90 91.88 50.41 -64.91 -39.35 4.78 0.02 95.20 0.63 0.34 3.42 94.34 1.25 0.00 0.01 0.01 70 R H H 154.17 2.50 14.75 17.98 92.49 51.62 -68.50 -31.60 14.10 0.06 85.85 1.11 0.96 11.65 84.84 1.36 0.02 0.02 0.03 71 Q C T 97.74 6.40 11.77 19.53 96.07 50.44 -86.90 -4.01 61.73 0.16 38.11 2.35 3.77 53.26 38.77 1.66 0.02 0.05 0.11 72 G C T 59.02 1.80 13.91 16.18 98.28 -109.22 78.72 11.92 95.61 0.18 4.21 13.81 8.09 73.90 3.21 0.82 0.00 0.08 0.08 73 R C C 126.85 5.74 10.74 18.36 118.47 131.16 -98.43 139.82 94.74 1.88 3.38 83.45 8.60 2.69 2.03 1.22 0.00 0.88 1.14 74 T C C 86.56 4.67 12.51 18.85 116.29 -136.59 -95.53 138.21 92.10 3.86 4.04 85.60 4.08 2.59 1.86 1.77 0.00 2.06 2.04 75 L C C 96.62 8.22 10.60 19.86 102.59 -145.35 -82.45 -8.91 85.18 4.65 10.17 38.69 24.48 22.86 2.51 7.02 0.01 2.28 2.14 76 Y C T 152.52 4.21 11.35 16.98 110.97 52.35 -96.20 111.69 86.19 4.63 9.18 20.43 27.49 38.92 2.14 6.56 0.02 2.54 1.90 77 G C C 53.61 3.23 10.78 15.50 110.09 -33.87 86.94 60.77 91.09 3.30 5.62 45.26 20.60 25.22 0.96 4.79 0.00 1.78 1.39 78 F C C 144.16 4.25 9.08 15.01 109.22 102.96 -94.74 93.44 95.48 2.71 1.81 86.56 3.03 6.13 0.59 0.84 0.00 1.42 1.44 79 G C C 52.80 3.15 13.17 17.69 108.73 -43.83 86.74 -1.66 99.90 0.08 0.02 99.67 0.18 0.09 0.00 0.00 0.00 0.04 0.01