# 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 A C C 58.47 5.99 13.77 20.80 105.80 -130.08 -77.90 121.14 99.39 0.05 0.56 99.25 0.09 0.14 0.48 0.01 0.00 0.01 0.01 1 A H H 68.56 3.42 12.37 16.91 96.15 56.48 -67.17 -37.64 24.50 0.16 75.34 20.21 0.99 3.56 73.90 1.21 0.00 0.06 0.06 2 A H H 68.06 3.37 11.75 16.47 93.58 54.13 -65.50 -39.67 10.73 0.11 89.16 5.97 1.67 3.35 87.39 1.54 0.00 0.05 0.04 3 A H H 67.27 2.75 13.28 16.99 92.86 51.31 -66.07 -39.19 6.20 0.09 93.72 3.56 0.94 1.97 91.75 1.71 0.00 0.05 0.02 4 A H H 62.96 2.82 14.12 17.70 92.60 51.02 -65.81 -39.43 4.62 0.08 95.30 2.56 0.70 1.57 93.62 1.48 0.00 0.04 0.02 5 A H H 55.12 4.26 14.03 19.63 92.58 50.82 -65.99 -39.65 4.83 0.08 95.09 2.42 0.69 1.84 93.74 1.25 0.00 0.04 0.02 6 A H H 58.20 4.30 14.70 20.09 92.76 50.83 -65.72 -38.87 6.28 0.09 93.63 2.75 0.88 2.68 92.36 1.26 0.01 0.05 0.03 7 A H H 60.96 3.27 15.14 19.10 92.83 51.33 -65.83 -38.75 9.97 0.11 89.92 3.78 1.45 4.74 88.41 1.52 0.01 0.05 0.05 8 A H H 59.63 3.85 14.72 19.58 93.57 52.73 -67.13 -37.56 16.57 0.18 83.25 6.28 2.54 7.87 81.19 1.95 0.01 0.08 0.08 9 A H H 58.36 5.24 13.48 20.05 94.18 53.29 -68.03 -35.27 25.34 0.33 74.32 11.20 4.44 10.24 71.34 2.46 0.01 0.15 0.16 10 A H H 65.56 4.47 13.26 19.06 95.86 57.36 -70.82 -30.05 37.14 0.49 62.36 18.60 6.78 12.35 58.84 2.96 0.02 0.20 0.25 11 A C H 70.72 3.90 13.19 18.36 99.25 62.51 -73.48 -22.61 51.61 0.66 47.72 29.05 10.04 13.21 42.19 4.88 0.01 0.27 0.35 12 A C C 67.13 5.30 12.72 19.34 101.17 63.80 -75.81 0.52 63.17 0.97 35.86 40.40 8.67 13.88 27.88 8.17 0.01 0.45 0.54 13 H C C 104.45 8.52 12.01 21.45 106.40 79.95 -87.02 78.94 73.10 1.77 25.13 48.16 11.17 13.49 15.52 9.79 0.01 0.85 1.01 14 R C C 146.71 4.76 15.14 21.22 106.61 159.62 -89.33 75.04 81.45 2.31 16.23 56.02 12.87 12.43 8.47 7.75 0.00 1.19 1.27 15 Y C C 93.83 13.03 10.66 23.65 116.14 115.18 -95.80 133.68 90.18 3.14 6.68 65.71 18.83 4.97 3.77 2.77 0.00 1.07 2.87 16 R C C 139.82 3.99 15.27 20.70 118.68 -146.98 -95.96 140.83 98.91 0.41 0.69 83.30 14.56 0.98 0.44 0.20 0.00 0.12 0.40 17 P C T 96.21 5.21 12.99 19.90 109.95 -97.28 -61.51 138.56 92.88 0.16 6.96 5.55 5.78 81.84 3.92 2.70 0.00 0.07 0.13 18 G C T 52.16 3.38 15.55 19.82 97.50 22.16 85.17 -2.97 92.13 0.17 7.71 6.92 6.54 78.94 4.53 2.86 0.00 0.08 0.12 19 T C C 42.24 9.88 12.12 23.75 113.87 122.84 -79.60 143.95 70.14 2.49 27.37 52.95 13.83 2.89 26.16 1.74 0.00 0.67 1.76 20 V H H 79.74 4.92 17.78 23.61 94.47 -131.35 -64.11 -39.14 5.23 0.07 94.69 2.23 0.95 2.14 93.74 0.87 0.00 0.03 0.02 21 A H H 30.81 11.20 16.66 28.97 92.24 52.78 -64.14 -41.18 2.57 0.04 97.39 0.93 0.32 1.30 96.50 0.91 0.00 0.02 0.01 22 L H H 42.38 11.89 16.53 29.47 92.04 50.30 -64.73 -40.88 0.99 0.01 98.99 0.35 0.11 0.47 98.42 0.63 0.00 0.01 0.00 23 R H H 112.83 4.14 20.06 24.58 91.90 51.42 -64.10 -41.25 0.53 0.00 99.46 0.16 0.05 0.25 99.32 0.22 0.00 0.00 0.00 24 E H H 79.64 6.23 19.66 26.60 91.79 50.20 -64.76 -41.35 0.71 0.00 99.29 0.14 0.05 0.41 99.22 0.17 0.00 0.00 0.00 25 I H H 32.10 14.85 16.21 31.76 92.10 50.22 -64.60 -41.94 0.79 0.00 99.20 0.15 0.06 0.46 99.14 0.19 0.00 0.00 0.00 26 R H H 112.57 6.13 19.11 26.03 91.77 51.77 -63.72 -40.88 1.02 0.01 98.97 0.19 0.08 0.60 98.72 0.40 0.00 0.00 0.00 27 R H H 127.78 2.73 19.84 22.25 92.05 50.30 -65.15 -40.78 2.85 0.01 97.13 0.36 0.21 2.04 96.57 0.80 0.01 0.00 0.00 28 Y H H 65.92 11.26 15.40 27.70 92.73 49.42 -67.24 -38.48 6.22 0.03 93.75 1.07 0.67 4.17 92.84 1.22 0.01 0.01 0.01 29 Q H H 71.00 12.36 14.73 27.28 92.58 54.67 -65.35 -36.90 14.05 0.10 85.85 3.26 1.65 8.72 83.71 2.55 0.02 0.04 0.05 30 K H H 145.66 1.73 18.33 19.50 92.95 52.19 -70.57 -29.96 31.08 0.16 68.76 3.60 3.50 23.70 65.75 3.25 0.04 0.06 0.09 31 S C H 54.74 5.10 16.24 22.26 101.98 42.18 -94.66 -8.78 59.09 0.37 40.54 22.75 7.25 29.30 36.84 3.48 0.01 0.13 0.25 32 T H H 35.12 16.19 12.69 28.33 95.60 95.85 -67.63 -37.17 18.69 0.17 81.14 10.40 4.07 4.97 78.11 2.29 0.00 0.06 0.08 33 E H H 109.02 5.91 17.41 24.35 92.90 61.08 -63.59 -39.02 6.18 0.06 93.77 1.60 0.94 3.65 90.51 3.24 0.01 0.03 0.02 34 L H H 76.53 3.85 18.73 22.99 92.51 51.87 -65.71 -40.60 3.78 0.06 96.16 0.99 0.52 2.33 92.30 3.80 0.01 0.04 0.01 35 L H H 32.48 13.40 15.71 30.04 92.45 51.03 -65.35 -41.62 2.53 0.04 97.43 0.65 0.32 1.50 93.57 3.91 0.01 0.03 0.01 36 I H H 30.88 17.40 14.73 31.93 92.52 50.96 -65.75 -38.79 4.24 0.03 95.73 0.53 0.36 3.12 88.23 7.71 0.01 0.02 0.01 37 R H H 142.75 4.43 18.88 24.25 92.01 54.93 -67.89 -29.20 22.29 0.03 77.68 0.68 0.83 21.14 71.31 5.98 0.03 0.01 0.02 38 K H H 119.18 4.95 18.60 24.19 95.85 49.99 -89.51 -9.22 48.37 0.06 51.56 1.64 2.59 43.94 46.37 5.35 0.03 0.02 0.06 39 L C S 26.26 19.02 12.03 30.51 110.31 102.27 -79.59 127.92 75.37 0.29 24.34 34.56 34.71 4.09 25.15 1.20 0.00 0.06 0.24 40 P H H 61.08 6.50 20.83 28.29 93.40 -140.47 -63.10 -34.03 21.92 0.08 78.00 6.15 2.41 13.05 75.57 2.74 0.01 0.03 0.05 41 F H H 35.35 18.37 17.62 35.34 92.68 54.78 -66.04 -38.03 8.98 0.04 90.99 2.09 0.88 5.74 88.80 2.45 0.01 0.02 0.02 42 Q H H 55.84 14.53 18.75 32.92 91.87 54.65 -63.24 -40.71 1.44 0.01 98.55 0.51 0.16 0.66 97.45 1.20 0.00 0.00 0.00 43 R H H 120.30 4.04 23.29 27.16 91.81 50.95 -64.98 -40.74 0.73 0.00 99.27 0.19 0.06 0.38 98.87 0.50 0.00 0.00 0.00 44 L H H 38.44 11.83 20.70 33.19 91.96 50.60 -64.74 -42.54 0.55 0.00 99.45 0.12 0.04 0.30 99.29 0.25 0.00 0.00 0.00 45 V H H 10.79 20.86 17.55 38.29 91.76 50.19 -63.92 -42.63 0.35 0.00 99.65 0.06 0.02 0.19 99.60 0.12 0.00 0.00 0.00 46 R H H 106.35 8.68 21.33 30.34 91.53 51.34 -63.33 -41.20 0.43 0.00 99.57 0.06 0.02 0.26 99.51 0.14 0.00 0.00 0.00 47 E H H 92.92 3.39 22.98 25.73 91.71 49.80 -64.85 -41.61 0.96 0.00 99.04 0.11 0.06 0.67 98.91 0.25 0.00 0.00 0.00 48 I H H 25.26 14.04 18.23 33.25 92.31 49.40 -65.23 -41.61 1.80 0.01 98.19 0.24 0.14 1.21 97.84 0.57 0.00 0.00 0.00 49 A H H 14.26 16.39 14.24 31.32 91.77 52.31 -64.64 -38.67 4.76 0.02 95.22 0.70 0.38 3.33 93.10 2.46 0.01 0.01 0.01 50 Q H H 114.56 2.94 18.46 21.78 92.41 52.96 -66.35 -35.88 17.92 0.04 82.05 1.07 1.01 15.69 77.33 4.84 0.02 0.02 0.02 51 D H H 93.92 3.28 17.07 20.78 94.33 50.46 -75.75 -24.29 31.32 0.08 68.60 2.28 2.38 26.46 64.44 4.32 0.03 0.03 0.05 52 F C H 62.57 13.90 10.78 24.62 102.16 56.53 -92.54 11.36 62.12 0.84 37.04 29.49 13.44 20.03 32.17 3.98 0.02 0.28 0.59 53 K C C 134.67 4.27 13.91 19.65 102.84 162.93 -68.26 44.44 84.37 0.86 14.77 57.45 9.19 17.20 11.57 3.63 0.00 0.39 0.57 54 T C C 88.31 4.71 11.89 18.02 103.08 80.49 -90.70 -9.35 81.77 0.86 17.37 39.70 23.09 19.22 11.04 6.03 0.00 0.34 0.58 55 D C C 95.23 4.39 13.12 18.56 105.97 59.65 -88.17 61.25 77.53 0.91 21.56 44.61 17.87 15.11 12.94 8.50 0.00 0.37 0.59 56 L C C 89.17 8.67 11.85 21.46 99.72 -161.51 -75.79 -7.39 62.35 1.36 36.29 36.77 12.21 12.93 20.88 15.86 0.01 0.66 0.68 57 R C C 138.75 4.79 16.50 22.32 100.02 83.81 -75.22 -11.88 57.62 2.93 39.45 35.20 10.49 11.76 24.77 15.01 0.02 1.63 1.13 58 F C C 63.69 14.98 12.65 27.31 103.66 66.78 -85.35 24.89 54.61 3.43 41.95 38.64 8.18 7.85 30.56 11.54 0.02 1.89 1.32 59 Q H H 83.78 8.40 17.16 26.16 106.19 88.57 -78.30 24.46 45.34 1.00 53.66 35.49 5.36 4.31 51.60 2.44 0.00 0.44 0.37 60 S H H 64.59 6.23 16.87 23.94 94.16 2.70 -65.01 -38.38 12.28 0.11 87.61 5.94 2.31 4.09 86.27 1.31 0.00 0.04 0.04 61 S H H 62.56 3.55 20.46 23.86 92.60 51.44 -66.45 -39.20 4.80 0.04 95.16 1.97 0.69 2.06 94.40 0.85 0.00 0.02 0.01 62 A H H 16.15 14.69 16.63 32.18 92.23 50.97 -65.06 -41.97 1.60 0.02 98.38 0.70 0.19 0.67 97.95 0.48 0.00 0.01 0.00 63 V H H 29.47 15.83 18.09 33.95 91.99 50.05 -64.01 -42.28 0.66 0.01 99.33 0.25 0.07 0.29 99.19 0.19 0.00 0.00 0.00 64 M H H 93.43 3.93 23.29 27.01 91.57 50.14 -64.08 -41.52 0.41 0.00 99.58 0.14 0.04 0.19 99.54 0.10 0.00 0.00 0.00 65 A H H 39.01 6.79 21.67 29.26 91.80 50.70 -64.04 -41.75 0.34 0.00 99.66 0.08 0.03 0.17 99.65 0.07 0.00 0.00 0.00 66 L H H 24.23 18.16 18.50 36.44 92.11 50.12 -64.48 -41.89 0.21 0.00 99.79 0.04 0.01 0.11 99.79 0.04 0.00 0.00 0.00 67 Q H H 71.20 12.36 21.34 33.25 91.65 50.97 -63.16 -41.73 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 68 E H H 108.76 2.94 24.52 26.81 91.76 49.44 -64.86 -41.47 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 69 A H H 31.50 9.62 21.07 31.62 91.91 49.97 -65.03 -41.78 0.29 0.00 99.71 0.04 0.01 0.16 99.75 0.03 0.00 0.00 0.00 70 S H H 16.05 17.60 18.58 36.16 91.79 50.98 -63.97 -41.45 0.42 0.00 99.58 0.06 0.02 0.24 99.63 0.05 0.00 0.00 0.00 71 E H H 88.73 8.46 22.50 31.12 91.74 51.15 -63.89 -40.81 0.26 0.00 99.74 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 72 A H H 52.47 4.48 23.04 27.46 91.69 51.38 -64.67 -40.94 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 73 Y H H 71.12 13.16 20.98 33.84 92.14 49.70 -65.06 -41.83 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 74 L H H 34.38 16.99 19.71 36.19 92.09 50.17 -64.15 -42.19 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 75 V H H 66.76 6.29 23.14 29.70 91.76 50.19 -64.00 -42.05 0.18 0.00 99.82 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 76 A H H 39.79 6.88 22.25 29.87 91.68 50.50 -64.47 -41.57 0.57 0.00 99.43 0.04 0.02 0.42 99.38 0.14 0.00 0.00 0.00 77 L H H 26.08 17.43 19.53 36.67 92.13 50.15 -64.68 -42.14 1.78 0.00 98.21 0.13 0.09 1.37 98.07 0.34 0.00 0.00 0.00 78 F H H 59.97 14.25 20.56 34.40 92.19 50.27 -65.05 -40.86 4.06 0.02 95.92 0.62 0.39 2.72 95.55 0.69 0.01 0.01 0.01 79 E H H 104.76 4.07 24.03 27.96 92.09 51.10 -65.33 -40.17 9.82 0.06 90.12 1.55 1.01 6.79 89.56 1.02 0.02 0.02 0.03 80 D H H 50.75 11.19 21.70 32.91 92.98 47.65 -68.47 -37.94 17.66 0.10 82.23 3.72 1.86 11.22 81.74 1.35 0.01 0.04 0.05 81 T H H 18.17 19.88 18.50 37.71 92.79 53.06 -65.81 -39.85 14.68 0.16 85.16 4.20 2.15 8.14 83.53 1.81 0.02 0.07 0.07 82 N H H 74.19 9.11 23.11 32.19 92.19 52.33 -64.39 -40.55 12.68 0.18 87.14 3.78 1.60 7.27 85.31 1.85 0.02 0.10 0.07 83 L H H 72.48 5.36 24.11 29.53 92.05 50.30 -64.98 -42.00 6.60 0.22 93.18 2.19 1.02 3.64 90.53 2.38 0.04 0.14 0.06 84 C H H 16.03 15.27 18.97 34.98 92.17 50.22 -64.82 -42.10 4.60 0.33 95.07 1.51 0.71 2.62 91.72 3.09 0.04 0.24 0.06 85 A H H 16.95 14.33 16.92 32.29 92.23 51.79 -64.36 -40.96 5.38 0.38 94.24 1.66 0.78 3.16 90.48 3.51 0.04 0.31 0.07 86 I H H 91.73 4.19 20.35 24.58 92.55 49.57 -65.98 -40.63 8.34 0.42 91.24 1.84 1.12 5.63 88.17 2.75 0.08 0.31 0.10 87 H H H 104.46 5.74 18.30 24.64 93.21 48.56 -69.76 -31.69 17.38 0.49 82.13 3.09 2.41 12.38 79.57 1.98 0.12 0.26 0.18 88 A C H 30.11 13.94 12.07 26.36 96.48 53.29 -81.29 -7.56 57.54 0.89 41.57 12.96 8.77 34.70 40.40 2.28 0.05 0.36 0.47 89 K C T 160.76 1.98 17.74 20.12 95.46 -124.78 57.70 32.70 82.53 0.45 17.02 13.14 12.92 55.51 15.27 2.66 0.00 0.20 0.28 90 R C T 116.71 7.94 14.41 23.41 126.73 88.57 -121.49 145.95 90.57 1.13 8.30 29.68 26.28 35.01 5.48 2.48 0.00 0.52 0.55 91 V C C 90.28 8.08 14.85 23.84 100.08 -140.57 -90.51 -9.32 93.17 3.85 2.98 49.63 36.28 7.71 1.46 1.40 0.00 2.17 1.34 92 T C C 74.81 4.78 20.85 26.12 126.66 57.16 -119.64 143.63 91.83 6.56 1.61 63.56 24.41 4.19 0.63 0.95 0.00 4.49 1.77 93 I C C 34.08 20.87 11.59 31.74 111.69 -127.84 -88.87 121.95 92.10 6.98 0.93 77.77 12.96 1.02 0.53 0.43 0.00 3.21 4.09 94 M C C 74.48 6.78 20.00 27.39 124.88 -164.96 -103.27 155.66 99.40 0.31 0.29 96.50 2.89 0.06 0.31 0.02 0.00 0.10 0.13 95 P H H 81.23 6.93 16.40 24.51 90.88 -108.00 -57.86 -38.15 2.33 0.00 97.67 0.26 0.20 1.60 97.19 0.73 0.00 0.00 0.00 96 K H H 118.88 3.76 20.73 24.92 91.52 54.71 -64.24 -38.52 0.94 0.00 99.06 0.09 0.05 0.66 98.53 0.67 0.00 0.00 0.00 97 D H H 15.36 18.79 16.60 35.49 92.01 50.95 -65.06 -41.19 0.25 0.00 99.75 0.04 0.02 0.13 99.31 0.49 0.00 0.00 0.00 98 I H H 23.31 17.78 18.51 36.19 91.70 50.72 -64.14 -41.98 0.09 0.00 99.91 0.01 0.00 0.05 99.83 0.10 0.00 0.00 0.00 99 Q H H 91.23 3.86 24.95 28.46 91.38 50.77 -63.32 -42.19 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 100 L H H 33.30 10.74 21.89 33.79 91.65 50.04 -63.94 -42.49 0.15 0.00 99.85 0.01 0.00 0.09 99.83 0.06 0.00 0.00 0.00 101 A H H 4.95 21.11 17.04 38.78 91.38 51.34 -62.71 -42.90 0.27 0.00 99.72 0.03 0.01 0.17 99.68 0.11 0.00 0.00 0.00 102 R H H 88.42 9.45 20.43 30.37 91.56 51.13 -63.64 -40.89 0.86 0.00 99.13 0.10 0.05 0.59 98.90 0.36 0.00 0.00 0.00 103 R H H 131.46 3.28 20.93 24.23 91.91 50.61 -65.01 -40.51 2.05 0.01 97.94 0.23 0.13 1.50 97.42 0.71 0.00 0.00 0.00 104 I H H 46.71 13.94 16.13 30.35 92.65 49.68 -67.70 -37.66 6.45 0.03 93.51 0.50 0.50 5.24 92.98 0.74 0.01 0.01 0.01 105 R H H 90.23 11.78 14.90 26.96 95.46 46.19 -84.08 -10.38 38.83 0.19 60.98 2.24 3.62 31.94 60.60 1.36 0.06 0.06 0.12 106 G C T 50.47 3.82 15.11 20.04 99.97 -102.29 77.47 9.73 77.97 0.43 21.60 13.00 9.49 54.75 18.78 3.53 0.01 0.17 0.27 107 E C C 109.45 5.71 11.19 18.52 107.11 117.69 -84.32 78.49 79.49 1.21 19.30 45.41 14.91 19.20 11.90 7.33 0.00 0.55 0.69 108 R C C 156.28 4.00 11.07 16.88 109.21 66.79 -90.79 108.80 85.53 1.27 13.21 70.96 2.86 12.95 7.99 3.84 0.00 0.66 0.74 109 A C C 69.41 6.50 12.24 20.11 110.82 -134.54 -87.32 130.65 99.91 0.05 0.05 99.80 0.08 0.07 0.02 0.00 0.00 0.02 0.01