# 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 87.61 8.90 13.24 22.88 107.50 -155.20 -87.10 90.38 99.18 0.51 0.31 98.96 0.26 0.19 0.21 0.02 0.00 0.22 0.12 1 A C C 62.68 5.81 11.72 18.89 110.13 -124.92 -83.35 128.83 83.33 0.86 15.81 77.52 1.53 3.10 16.34 0.78 0.00 0.36 0.36 2 D C C 101.88 2.76 13.79 17.32 103.62 -92.96 -78.44 16.18 62.26 0.53 37.21 50.39 4.97 4.26 38.86 1.09 0.00 0.19 0.22 3 V H H 69.33 8.86 12.41 22.27 96.11 75.10 -68.08 -34.50 17.70 0.18 82.12 11.73 2.30 3.55 81.22 1.05 0.00 0.08 0.06 4 N H H 72.66 9.63 14.15 24.34 93.95 58.56 -66.59 -37.96 7.88 0.17 91.96 4.93 1.06 2.15 90.72 1.01 0.00 0.09 0.04 5 L H H 99.31 3.27 17.10 20.87 92.97 52.29 -65.92 -39.82 3.16 0.13 96.71 1.82 0.47 1.08 95.75 0.77 0.00 0.08 0.02 6 V H H 73.87 4.78 18.14 23.40 92.50 49.56 -65.32 -42.22 1.99 0.12 97.89 1.02 0.29 0.79 97.30 0.50 0.00 0.08 0.02 7 V H H 46.78 11.86 16.74 29.21 92.39 48.85 -64.92 -42.24 2.15 0.08 97.76 0.88 0.28 1.00 97.30 0.47 0.00 0.05 0.01 8 G H H 27.73 8.72 17.77 27.43 92.09 50.49 -64.19 -41.29 4.22 0.05 95.73 0.95 0.44 2.52 95.50 0.53 0.01 0.02 0.01 9 G H H 39.25 3.30 21.20 24.00 92.11 49.42 -65.60 -40.54 8.45 0.04 91.51 1.27 0.82 5.70 91.66 0.50 0.01 0.02 0.02 10 C H H 54.34 7.39 19.48 27.36 92.96 49.41 -66.46 -40.52 7.14 0.05 92.81 1.70 1.00 3.94 92.90 0.41 0.01 0.02 0.03 11 T H H 38.15 13.63 17.77 31.53 92.70 50.10 -65.08 -41.84 3.12 0.03 96.84 1.03 0.43 1.43 96.85 0.23 0.00 0.01 0.01 12 V H H 72.69 6.26 20.67 27.37 91.96 50.69 -64.03 -41.74 1.53 0.01 98.46 0.47 0.17 0.73 98.44 0.18 0.00 0.01 0.00 13 G H H 36.86 3.58 21.31 24.32 91.88 50.03 -64.60 -41.82 0.97 0.01 99.02 0.28 0.09 0.48 98.96 0.19 0.00 0.00 0.00 14 A H H 39.00 9.41 18.22 28.51 92.19 50.16 -64.60 -41.64 0.79 0.01 99.20 0.17 0.06 0.46 99.04 0.25 0.00 0.01 0.00 15 L H H 61.08 11.18 17.89 29.32 91.89 50.39 -64.18 -41.50 0.92 0.01 99.07 0.14 0.07 0.61 98.78 0.39 0.00 0.01 0.00 16 A H H 55.96 3.99 20.09 24.23 91.74 50.57 -63.73 -42.35 1.96 0.03 98.01 0.24 0.14 1.46 97.44 0.70 0.01 0.02 0.01 17 L H H 82.25 4.44 19.37 23.94 91.86 49.35 -65.13 -39.99 4.19 0.04 95.77 0.47 0.33 3.25 93.62 2.27 0.02 0.02 0.01 18 G H H 19.28 12.25 14.85 28.03 92.35 52.43 -65.61 -38.50 13.46 0.06 86.48 0.81 0.76 11.87 81.76 4.71 0.04 0.03 0.03 19 R H H 114.71 8.12 17.28 25.95 93.47 51.03 -69.91 -34.85 23.27 0.14 76.59 1.35 1.60 20.28 70.06 6.45 0.10 0.06 0.09 20 F H H 120.12 4.28 17.72 22.28 99.22 45.87 -84.69 -26.17 32.16 0.98 66.86 4.46 4.47 22.89 54.07 12.63 0.40 0.49 0.60 21 V C T 80.86 5.64 16.89 23.10 99.93 47.47 -76.64 -31.23 58.48 0.99 40.53 5.38 6.18 44.69 29.88 12.52 0.15 0.49 0.72 22 F C T 84.00 9.62 15.68 26.09 98.19 45.59 -86.60 -14.51 52.02 0.64 47.35 9.09 5.66 35.78 34.45 14.13 0.10 0.29 0.51 23 L H H 51.94 11.97 14.18 27.06 94.58 80.09 -63.32 -41.19 10.05 0.08 89.86 4.65 2.22 3.63 87.75 1.66 0.01 0.03 0.03 24 P H H 71.40 4.79 17.51 23.07 92.47 50.55 -64.51 -37.14 3.98 0.03 95.99 1.40 0.46 1.99 94.91 1.21 0.00 0.01 0.01 25 F H H 115.01 3.04 18.80 21.75 92.69 50.38 -66.09 -40.09 1.34 0.02 98.64 0.37 0.15 0.73 97.77 0.96 0.00 0.01 0.00 26 H H H 67.14 9.76 16.35 27.15 92.54 49.52 -65.55 -41.07 0.99 0.02 98.99 0.31 0.10 0.52 98.56 0.51 0.00 0.01 0.00 27 R H H 95.34 10.10 16.33 27.07 92.01 50.91 -63.90 -41.07 0.73 0.01 99.26 0.18 0.07 0.40 99.11 0.23 0.00 0.00 0.00 28 A H H 58.12 2.55 18.62 20.86 91.78 50.72 -64.18 -41.25 0.59 0.00 99.41 0.09 0.04 0.36 99.33 0.18 0.00 0.00 0.00 29 S H H 53.62 3.32 17.76 21.43 92.04 49.67 -65.24 -40.43 1.16 0.00 98.83 0.14 0.08 0.80 98.72 0.25 0.00 0.00 0.00 30 L H H 34.42 11.16 12.53 25.29 92.13 49.97 -65.12 -41.00 1.91 0.01 98.08 0.32 0.18 1.24 97.80 0.44 0.00 0.01 0.00 31 A H H 58.69 5.59 13.94 20.94 92.14 51.30 -64.46 -39.19 4.02 0.02 95.96 0.56 0.32 2.85 95.20 1.04 0.01 0.01 0.01 32 K H H 164.64 0.79 15.22 14.74 92.03 51.18 -68.52 -27.91 14.40 0.04 85.57 0.92 0.89 12.37 84.42 1.34 0.02 0.01 0.02 33 A C T 68.02 4.07 11.60 17.20 94.54 56.45 -83.08 -6.61 64.60 0.12 35.28 2.19 4.39 55.69 35.86 1.70 0.01 0.04 0.11 34 G C T 60.01 1.17 15.21 15.86 98.62 -103.39 84.22 11.02 97.94 0.12 1.94 15.31 7.64 75.27 1.22 0.44 0.00 0.05 0.06 35 M C C 65.12 12.25 8.19 20.90 117.27 146.26 -84.01 139.93 98.51 0.50 0.99 82.85 14.56 1.14 0.53 0.36 0.00 0.18 0.39 36 P C C 77.19 4.41 15.18 20.75 114.45 -107.52 -67.52 149.39 94.51 0.96 4.52 79.73 8.74 6.12 1.53 2.80 0.00 0.49 0.59 37 K C C 133.02 5.67 12.56 20.12 113.66 -108.86 -77.53 137.68 85.62 5.41 8.97 66.26 10.92 7.81 3.27 5.86 0.00 2.80 3.09 38 Q C C 101.11 7.74 9.91 18.93 114.34 -144.45 -96.87 127.71 81.63 7.35 11.02 52.02 16.11 13.42 3.85 7.07 0.01 3.80 3.72 39 N C T 123.38 2.16 12.22 15.40 103.43 -137.11 -87.95 33.17 87.11 3.22 9.67 30.55 22.04 35.49 2.88 6.00 0.01 1.61 1.42 40 G C T 56.95 2.53 12.18 15.87 99.25 -72.66 83.09 2.94 88.80 2.17 9.03 28.95 29.67 31.12 3.06 5.10 0.01 1.04 1.04 41 M C C 93.44 5.74 11.17 18.81 118.76 122.26 -92.18 145.78 84.62 4.95 10.42 51.66 28.13 4.87 7.96 2.56 0.01 1.96 2.85 42 T C C 66.35 4.92 14.78 20.88 117.87 -114.12 -79.73 156.93 78.65 3.89 17.46 63.73 10.01 3.81 16.71 2.15 0.00 1.90 1.68 43 H H H 97.43 10.10 13.00 23.89 93.41 -110.60 -62.44 -36.80 20.14 0.86 79.00 10.63 4.73 7.06 72.49 4.24 0.06 0.48 0.31 44 L H H 93.62 5.16 16.24 22.24 92.86 52.52 -65.77 -40.01 13.90 0.46 85.64 5.49 2.68 6.93 79.76 4.65 0.06 0.29 0.15 45 Q H H 100.41 2.76 18.45 21.06 93.00 48.95 -67.06 -39.77 11.18 0.43 88.40 5.67 2.08 4.54 82.68 4.61 0.03 0.29 0.12 46 A H H 31.89 8.22 14.92 25.01 92.87 51.63 -65.00 -40.54 9.37 0.26 90.37 4.70 1.66 3.80 86.65 2.94 0.01 0.15 0.08 47 G H H 20.45 10.18 15.44 26.82 93.75 50.93 -64.32 -41.39 10.79 0.26 88.95 4.93 1.86 4.87 85.63 2.46 0.02 0.15 0.09 48 D H H 78.11 4.29 18.00 22.79 92.98 50.44 -66.35 -39.95 8.82 0.23 90.95 4.37 1.63 3.67 87.89 2.22 0.02 0.13 0.07 49 A H H 59.12 3.01 18.61 21.48 92.63 50.32 -65.80 -40.48 8.21 0.24 91.55 3.63 1.51 3.76 88.65 2.22 0.03 0.14 0.07 50 R H H 107.09 6.60 17.17 24.63 93.03 49.81 -66.83 -39.62 9.87 0.30 89.83 4.38 1.73 4.55 86.72 2.33 0.03 0.17 0.09 51 A H H 38.14 10.05 13.81 25.08 92.93 52.80 -65.34 -39.02 11.03 0.29 88.68 6.02 1.87 4.08 85.08 2.68 0.01 0.17 0.09 52 E H H 118.35 2.76 17.40 20.45 92.79 52.13 -66.48 -39.21 12.98 0.34 86.69 6.09 2.20 5.65 82.43 3.29 0.03 0.20 0.11 53 E H H 112.74 2.91 17.20 20.25 93.40 49.93 -67.60 -38.02 16.35 0.32 83.32 6.23 2.96 8.01 78.96 3.49 0.04 0.17 0.13 54 A H H 43.52 8.99 13.80 24.01 94.08 51.51 -70.10 -33.90 27.20 0.56 72.24 12.23 5.11 11.30 66.21 4.57 0.03 0.27 0.27 55 S H H 50.89 8.33 13.69 23.19 93.91 59.61 -69.40 -31.11 39.40 0.86 59.74 20.53 5.61 14.35 50.78 7.86 0.03 0.46 0.39 56 F H H 126.08 4.02 15.16 20.12 94.91 59.10 -71.98 -26.87 41.04 1.45 57.51 18.46 6.98 15.74 40.37 16.99 0.06 0.81 0.60 57 I H H 96.07 5.86 14.40 21.36 97.10 58.29 -75.24 -26.59 45.14 2.81 52.04 16.38 8.59 20.28 34.42 17.42 0.16 1.75 1.01 58 L C H 80.29 9.89 12.58 23.08 103.63 60.61 -87.54 20.59 51.12 8.19 40.69 23.52 9.33 19.07 25.67 14.19 0.24 5.71 2.27 59 K C C 127.86 5.26 14.53 21.28 110.53 91.33 -94.73 112.72 63.76 15.70 20.54 39.32 11.76 12.38 14.23 6.80 0.13 10.91 4.48 60 T C C 62.19 9.21 11.47 21.75 124.78 112.98 -113.80 151.81 77.90 15.75 6.36 56.58 13.11 7.48 4.45 2.31 0.02 10.57 5.48 61 N C S 124.58 2.75 14.46 18.39 100.86 -136.63 -86.70 11.22 92.24 6.02 1.75 38.94 44.17 9.48 0.56 1.09 0.00 4.49 1.27 62 D C C 69.76 7.76 12.71 22.03 113.67 110.05 -96.38 118.86 94.29 3.53 2.18 47.92 41.98 4.67 0.93 1.07 0.00 1.92 1.50 63 P C T 82.97 7.69 13.95 22.84 96.15 -143.19 -65.65 -18.42 76.45 1.48 22.07 22.97 12.21 41.84 7.09 14.30 0.01 0.76 0.81 64 A C T 60.67 7.86 15.59 24.09 96.69 69.11 -80.31 -9.14 71.09 1.79 27.12 13.77 11.35 45.57 10.51 16.72 0.04 0.96 1.09 65 G C C 29.26 10.75 17.20 28.22 102.88 58.32 -58.21 -17.74 62.32 4.63 33.05 26.53 17.33 19.69 15.16 16.60 0.15 2.29 2.25 66 F C C 65.22 15.21 15.57 30.24 106.95 90.33 -88.62 88.30 67.15 7.28 25.56 50.01 11.44 5.82 20.75 5.07 0.04 3.87 3.01 67 T C C 47.07 11.17 20.70 31.69 110.95 117.92 -85.98 -53.92 57.61 8.84 33.55 44.43 10.46 3.44 32.35 1.71 0.04 3.23 4.34 68 V H H 64.34 13.15 19.65 32.13 93.30 -78.10 -63.01 -38.77 3.25 0.12 96.63 1.06 0.64 1.59 95.92 0.68 0.02 0.07 0.03 69 V H H 62.08 9.09 22.14 31.38 92.33 52.01 -65.19 -41.76 1.16 0.08 98.76 0.32 0.15 0.66 98.10 0.70 0.00 0.06 0.01 70 D H H 35.00 15.02 21.27 35.93 91.96 50.22 -65.20 -41.31 0.94 0.07 98.99 0.28 0.11 0.55 98.09 0.91 0.00 0.05 0.01 71 V H H 26.61 18.45 20.99 38.44 91.90 48.68 -64.86 -42.50 1.19 0.06 98.75 0.23 0.11 0.82 97.83 0.95 0.01 0.05 0.01 72 M H H 71.80 11.21 24.17 35.22 92.03 49.26 -64.56 -41.31 3.02 0.06 96.92 0.35 0.25 2.38 95.67 1.28 0.02 0.03 0.01 73 A H H 38.38 10.28 24.38 34.83 91.91 50.60 -64.94 -41.35 12.97 0.06 86.97 0.75 0.75 11.49 85.24 1.68 0.03 0.02 0.03 74 W H H 65.00 16.60 23.83 39.21 92.36 48.68 -66.83 -39.17 24.73 0.13 75.14 1.89 2.02 20.66 73.04 2.19 0.06 0.05 0.09 75 G H H 14.30 17.76 22.60 39.09 92.47 53.45 -65.17 -42.28 30.17 0.26 69.57 4.16 3.72 22.02 67.84 1.93 0.06 0.10 0.16 76 A H H 42.95 10.23 26.43 36.67 92.52 49.48 -65.53 -41.79 12.67 0.18 87.16 2.85 1.83 8.22 85.54 1.36 0.04 0.07 0.10 77 L H H 57.93 11.97 26.81 38.49 92.29 49.26 -64.69 -41.94 3.27 0.04 96.69 0.81 0.46 1.98 96.11 0.60 0.01 0.01 0.01 78 G H H 9.95 18.83 22.99 41.06 91.81 50.91 -63.86 -42.49 1.78 0.02 98.20 0.49 0.19 1.04 97.83 0.43 0.00 0.01 0.00 79 H H H 62.47 14.32 25.68 39.26 91.62 50.10 -64.09 -41.97 0.96 0.02 99.02 0.29 0.10 0.55 98.80 0.24 0.00 0.01 0.00 80 A H H 39.27 9.86 26.73 36.97 91.70 49.46 -63.72 -42.57 0.33 0.00 99.67 0.06 0.02 0.20 99.62 0.09 0.00 0.00 0.00 81 A H H 25.76 14.49 25.49 39.76 91.61 49.02 -64.12 -42.37 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 82 A H H 16.52 17.73 22.75 39.99 91.59 51.17 -63.63 -42.71 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 83 F H H 75.89 10.96 25.48 36.46 91.62 49.78 -63.98 -42.60 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 84 Y H H 83.78 10.65 25.01 35.49 91.70 49.76 -64.01 -42.42 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 85 I H H 36.38 15.72 21.82 37.24 91.91 49.52 -64.21 -42.71 0.14 0.00 99.86 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 86 L H H 50.55 11.93 22.54 34.54 91.83 49.06 -64.21 -42.30 0.34 0.00 99.65 0.02 0.02 0.27 99.59 0.10 0.00 0.00 0.00 87 A H H 38.79 7.63 21.14 29.68 91.87 49.76 -64.44 -41.61 1.42 0.00 98.58 0.10 0.07 1.16 98.37 0.31 0.00 0.00 0.00 88 T H H 33.60 10.44 17.13 28.94 92.51 48.71 -65.75 -40.75 5.16 0.05 94.79 0.66 0.51 3.91 93.83 1.03 0.03 0.02 0.02 89 S H H 48.01 10.17 15.79 26.50 92.97 51.53 -66.35 -39.29 9.59 0.08 90.33 1.29 0.96 7.22 86.59 3.83 0.04 0.04 0.04 90 S H H 73.99 4.67 16.02 21.58 92.44 55.17 -70.24 -24.20 22.27 0.13 77.59 1.79 1.82 18.60 73.91 3.67 0.07 0.06 0.08 91 L C T 97.40 5.17 14.01 20.40 95.08 52.13 -90.06 0.95 69.68 0.32 30.00 2.81 5.65 59.90 26.86 4.35 0.03 0.13 0.27 92 G C T 58.78 1.60 15.96 17.34 96.96 -105.79 80.99 13.70 98.23 0.33 1.44 12.18 7.56 78.81 0.66 0.49 0.00 0.18 0.11 93 L C C 67.86 10.49 9.64 21.21 117.73 137.95 -92.65 139.01 94.97 3.56 1.47 80.87 10.55 3.29 0.56 0.85 0.00 1.83 2.04 94 D C C 100.06 3.56 15.55 20.38 110.81 -137.62 -92.47 114.12 94.86 3.85 1.29 81.78 9.57 3.41 0.37 0.95 0.00 2.46 1.47 95 R C C 107.97 12.23 10.42 22.77 107.50 -158.39 -84.58 83.33 95.20 3.35 1.45 60.91 26.79 7.51 0.25 1.38 0.00 2.18 0.98 96 N C C 102.52 4.19 13.84 19.56 116.36 -136.69 -95.91 127.83 95.71 3.71 0.59 49.97 41.10 4.84 0.09 0.58 0.00 2.49 0.93 97 P C C 86.26 7.30 11.50 20.06 102.24 -132.11 -70.64 8.09 96.71 2.59 0.70 89.23 3.34 4.14 0.13 0.54 0.00 1.68 0.93 98 F C C 111.97 9.40 12.28 22.19 108.65 49.01 -91.05 73.86 99.78 0.21 0.01 99.69 0.13 0.04 0.00 0.00 0.00 0.09 0.04