# 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 98.06 7.74 13.83 22.74 117.43 -163.06 -98.96 134.15 99.39 0.54 0.07 99.35 0.15 0.09 0.03 0.01 0.00 0.32 0.06 1 W C C 139.51 7.67 10.32 19.28 115.65 -160.91 -95.93 130.01 71.72 20.81 7.46 65.94 1.84 3.66 3.96 2.84 0.00 17.96 3.80 2 R C C 148.45 4.07 11.54 17.28 115.13 -161.31 -96.46 133.06 62.42 28.84 8.74 43.27 11.44 8.61 3.60 4.94 0.03 24.98 3.11 3 E C C 129.71 4.07 11.76 17.49 114.29 -132.34 -92.60 126.81 63.21 29.26 7.53 44.25 12.19 6.78 3.17 4.38 0.02 25.26 3.94 4 L C C 69.92 9.99 9.01 20.10 117.24 -145.27 -93.42 137.72 78.36 17.76 3.88 59.00 15.84 3.25 1.97 1.92 0.01 15.29 2.72 5 P C C 79.96 5.37 12.57 19.47 107.17 -110.28 -67.22 140.05 79.54 9.80 10.66 55.23 10.30 14.13 4.61 5.75 0.00 8.22 1.77 6 L C T 107.61 5.78 10.97 18.09 106.19 -116.36 -83.81 111.99 77.74 6.31 15.94 30.22 16.92 31.77 7.14 8.01 0.04 3.88 2.03 7 G C T 51.66 3.88 12.66 17.60 104.51 -4.26 72.84 -4.53 77.34 4.31 18.35 28.58 19.97 29.95 9.16 8.25 0.04 2.39 1.66 8 L C C 97.93 6.58 11.01 18.83 104.72 78.71 -89.43 13.08 65.82 5.48 28.70 30.72 17.58 18.46 19.13 8.98 0.10 3.14 1.90 9 G C H 43.47 5.36 13.11 19.69 110.65 -108.07 69.45 -135.09 53.32 8.91 37.76 26.44 14.02 14.48 27.41 9.20 0.21 6.20 2.04 10 E H H 117.64 4.82 13.15 19.18 110.03 -15.85 -88.79 128.31 37.94 16.91 45.15 23.11 7.77 8.53 34.49 9.38 0.22 14.03 2.47 11 L H H 81.77 8.36 10.94 20.56 111.19 -145.67 -88.28 131.22 31.18 19.96 48.86 19.76 5.95 6.81 38.64 8.67 0.20 17.57 2.40 12 H H H 103.01 7.13 11.54 19.99 110.47 -145.69 -89.44 129.86 33.20 17.58 49.22 21.85 5.62 6.84 40.58 7.21 0.13 15.55 2.21 13 K H H 134.85 4.06 12.17 17.63 105.63 -135.97 -81.68 22.35 37.02 11.41 51.58 20.83 7.89 10.19 42.56 7.02 0.18 9.61 1.74 14 D H H 101.83 3.61 12.13 17.05 104.73 48.18 -87.38 33.67 45.55 6.12 48.32 24.01 9.64 13.56 40.62 6.12 0.09 4.78 1.19 15 H C H 109.46 6.85 9.96 18.12 107.02 111.21 -90.74 75.66 48.43 4.99 46.58 25.67 10.79 13.80 38.51 6.39 0.09 3.45 1.30 16 Q C H 116.90 4.12 12.24 17.77 108.38 138.34 -84.79 101.46 49.57 4.52 45.91 26.93 10.19 14.15 36.79 7.54 0.09 2.97 1.34 17 A C H 66.14 6.01 11.59 18.86 110.70 -146.22 -84.40 127.32 52.05 4.19 43.76 28.34 9.82 14.85 33.51 9.36 0.06 2.80 1.25 18 S C C 61.89 7.54 10.99 19.77 111.50 -126.17 -88.51 124.55 55.26 5.05 39.69 31.85 10.00 13.93 28.70 10.58 0.06 3.35 1.53 19 R C C 145.81 4.77 12.68 19.02 111.86 -158.13 -94.45 126.05 58.28 6.36 35.36 30.34 12.89 15.51 23.86 11.24 0.08 4.32 1.76 20 K C C 130.85 4.82 12.31 18.72 114.82 -131.44 -92.35 133.07 64.24 8.49 27.27 36.99 11.73 15.59 17.97 9.47 0.05 5.83 2.36 21 L C C 91.37 8.14 10.05 19.47 114.87 -136.98 -90.80 132.24 71.95 8.14 19.91 47.10 15.95 8.63 14.34 6.07 0.03 4.91 2.97 22 E C C 116.52 4.47 12.62 18.60 114.72 -135.53 -92.66 129.65 83.58 2.75 13.67 65.09 14.00 4.20 10.89 3.21 0.00 1.52 1.09 23 P C C 82.12 6.62 10.51 18.65 105.38 -120.72 -68.39 132.53 56.84 1.91 41.25 35.77 7.81 12.81 24.49 17.25 0.01 1.17 0.69 24 E H H 134.59 2.87 12.61 16.66 101.58 -128.04 -79.31 -6.52 47.61 2.28 50.11 22.86 8.76 15.64 27.99 22.55 0.05 1.36 0.79 25 L H H 91.91 6.40 11.17 19.06 107.44 60.93 -85.36 76.20 42.31 4.13 53.56 23.43 7.78 11.20 29.73 24.01 0.05 2.68 1.11 26 W H H 127.92 8.25 10.56 20.00 109.38 60.58 -90.34 97.90 45.92 6.83 47.25 28.57 7.81 9.89 30.26 16.92 0.07 4.66 1.82 27 S C C 67.46 4.95 12.71 19.08 115.95 -153.85 -100.99 137.29 52.77 9.16 38.07 32.66 9.19 11.26 26.87 11.17 0.09 6.31 2.45 28 V C C 93.12 6.01 10.89 18.36 110.27 -145.45 -90.73 115.49 58.60 9.68 31.72 33.41 12.14 13.63 23.23 8.34 0.13 6.45 2.67 29 S C C 73.13 4.93 10.84 17.25 109.92 -144.60 -90.66 117.72 73.22 5.93 20.85 40.15 14.39 18.81 15.05 5.92 0.03 3.69 1.95 30 E C C 137.09 3.18 11.71 16.45 105.54 -145.60 -87.78 23.69 86.44 3.28 10.28 43.88 27.13 15.79 6.51 3.57 0.01 1.62 1.50 31 N C C 105.97 3.60 11.84 17.17 115.32 16.91 -103.77 127.25 97.40 1.83 0.77 59.13 37.23 1.29 0.42 0.30 0.00 0.72 0.92 32 P C C 73.61 7.91 10.72 20.10 114.36 -114.42 -69.30 149.01 89.90 1.15 8.95 71.32 9.13 9.51 4.19 4.60 0.00 0.61 0.63 33 P C C 78.22 7.19 11.17 19.86 109.95 -102.99 -67.92 147.08 83.03 1.62 15.36 57.18 10.30 15.54 7.16 8.12 0.00 0.84 0.87 34 S C C 80.61 3.58 12.19 17.18 106.06 -127.53 -83.14 75.93 71.95 2.71 25.34 49.11 11.29 11.18 14.13 11.44 0.01 1.33 1.51 35 T C H 87.76 5.06 11.04 17.66 105.74 107.61 -87.13 43.32 51.02 2.19 46.80 28.27 11.89 11.81 31.22 14.69 0.04 1.11 0.95 36 S H H 76.58 3.72 12.05 17.20 105.20 73.79 -84.73 47.39 46.50 2.75 50.75 24.80 9.65 13.07 34.73 15.09 0.07 1.56 1.04 37 M H H 104.83 6.58 10.85 18.81 108.29 103.06 -89.73 81.82 42.81 4.23 52.97 24.18 9.05 11.17 37.03 14.47 0.10 2.47 1.52 38 A C H 62.85 6.69 11.38 19.50 108.36 139.02 -83.14 109.53 51.03 4.64 44.34 29.37 10.39 13.06 32.72 9.92 0.09 2.59 1.86 39 S C C 75.18 4.56 12.72 18.59 107.60 57.04 -90.12 70.87 65.72 3.77 30.51 33.04 14.23 19.51 21.96 7.59 0.06 1.88 1.73 40 N C C 95.18 6.08 11.85 19.27 108.04 120.81 -93.72 86.21 73.09 2.36 24.55 30.15 19.97 23.95 16.61 6.95 0.04 1.04 1.29 41 N C C 106.80 4.84 12.38 18.69 102.60 -140.88 -85.56 16.11 74.15 2.07 23.78 30.69 20.62 23.68 15.72 7.18 0.04 0.89 1.17 42 T C C 86.73 4.77 13.08 19.04 102.84 97.07 -87.36 -1.83 64.89 3.20 31.91 30.95 17.52 17.68 23.11 7.65 0.08 1.44 1.56 43 A C C 54.65 7.56 12.23 21.20 105.90 89.69 -82.82 59.63 63.08 3.47 33.45 33.61 18.69 11.93 27.21 5.44 0.06 1.64 1.41 44 S C C 57.21 4.55 16.35 21.58 113.76 -117.89 -82.59 156.85 60.60 4.24 35.16 42.59 12.86 5.76 32.05 3.10 0.02 1.95 1.68 45 I H H 83.60 9.27 13.20 23.51 93.59 -113.98 -62.92 -38.91 7.00 0.21 92.79 3.68 1.50 2.29 91.14 1.20 0.00 0.11 0.07 46 A H H 61.77 2.49 17.94 20.14 92.26 52.39 -63.87 -41.26 4.20 0.17 95.64 1.86 0.66 1.93 94.06 1.33 0.01 0.11 0.05 47 Q H H 87.96 3.85 18.20 22.51 92.24 49.42 -66.03 -40.07 3.19 0.16 96.66 1.64 0.47 1.34 95.15 1.24 0.00 0.11 0.04 48 A H H 18.75 13.64 13.98 28.88 92.06 51.73 -64.09 -41.98 1.94 0.05 98.01 1.02 0.23 0.76 97.38 0.56 0.00 0.03 0.02 49 R H H 117.89 6.02 18.85 25.72 91.70 51.52 -63.38 -41.09 1.27 0.03 98.71 0.58 0.14 0.54 98.44 0.28 0.00 0.01 0.01 50 K H H 118.33 2.08 21.01 21.89 91.95 50.31 -64.82 -41.39 1.02 0.02 98.96 0.41 0.10 0.47 98.79 0.21 0.00 0.01 0.00 51 L H H 54.99 8.32 18.35 27.90 92.14 49.78 -64.84 -41.84 0.70 0.01 99.29 0.25 0.07 0.34 99.16 0.16 0.00 0.00 0.00 52 V H H 37.39 12.37 16.70 30.03 92.10 49.92 -64.08 -41.97 0.55 0.01 99.45 0.18 0.05 0.27 99.37 0.13 0.00 0.00 0.00 53 E H H 95.94 3.60 19.93 23.59 91.52 50.80 -63.73 -41.30 0.59 0.01 99.41 0.15 0.05 0.32 99.34 0.14 0.00 0.00 0.00 54 Q H H 92.38 3.16 19.19 22.25 92.00 50.40 -65.01 -40.95 0.89 0.01 99.10 0.19 0.07 0.54 98.99 0.21 0.00 0.00 0.00 55 L H H 49.88 10.15 15.28 26.72 92.32 51.08 -65.21 -40.94 1.24 0.01 98.75 0.28 0.10 0.75 98.45 0.41 0.00 0.01 0.00 56 K H H 99.01 7.01 16.58 24.54 92.20 52.10 -63.93 -40.06 2.32 0.02 97.66 0.45 0.18 1.50 97.04 0.82 0.00 0.01 0.00 57 M H H 112.41 2.16 17.32 19.11 92.73 50.22 -66.75 -39.02 5.28 0.05 94.67 0.90 0.48 3.71 93.32 1.54 0.01 0.02 0.02 58 E H H 101.72 4.66 15.38 20.92 94.69 50.68 -70.75 -33.09 12.54 0.13 87.33 2.26 1.42 8.74 85.42 2.00 0.03 0.05 0.06 59 A H H 46.60 9.48 12.05 22.65 96.17 59.88 -72.10 -22.43 39.36 0.47 60.17 6.93 4.72 27.70 57.36 2.78 0.07 0.19 0.26 60 N C T 109.20 3.33 15.15 19.46 99.12 61.09 -79.80 16.65 64.27 0.93 34.80 17.93 7.40 38.45 31.88 3.44 0.02 0.41 0.47 61 I C C 84.43 7.66 11.45 20.51 108.33 115.72 -87.75 95.82 68.32 2.42 29.25 38.41 19.31 9.97 27.52 2.65 0.02 1.05 1.06 62 D C C 86.15 3.90 14.14 19.04 108.69 -104.51 -82.41 108.09 69.53 1.60 28.87 58.00 4.01 5.38 29.58 1.69 0.00 0.77 0.57 63 R H H 141.22 5.60 12.69 19.82 94.75 -146.12 -65.54 -32.33 20.29 0.60 79.11 11.38 3.66 6.23 75.56 2.63 0.01 0.32 0.20 64 I H H 105.84 2.16 15.88 17.95 93.33 54.87 -66.77 -39.49 12.95 0.55 86.50 6.42 2.24 5.02 83.24 2.57 0.02 0.34 0.16 65 K H H 101.27 4.73 16.73 22.32 93.28 50.41 -67.50 -39.14 10.45 0.58 88.97 6.23 1.63 3.46 85.65 2.49 0.01 0.38 0.16 66 V H H 44.82 11.34 14.06 26.41 92.69 52.04 -64.97 -41.69 5.06 0.20 94.73 2.91 0.79 1.72 93.33 1.06 0.01 0.12 0.06 67 S H H 53.72 4.54 18.25 23.60 92.16 51.21 -64.30 -41.00 4.06 0.16 95.78 2.14 0.55 1.52 94.88 0.75 0.00 0.09 0.05 68 K H H 120.49 2.08 20.82 21.75 92.34 49.60 -65.71 -41.39 2.94 0.08 96.97 1.33 0.41 1.28 96.29 0.60 0.01 0.05 0.03 69 A H H 33.44 7.71 17.61 26.92 92.17 50.41 -64.84 -41.95 2.33 0.05 97.62 1.00 0.29 1.03 97.18 0.46 0.00 0.02 0.02 70 A H H 33.28 10.03 16.95 28.28 92.06 51.20 -63.70 -41.16 1.41 0.02 98.57 0.54 0.16 0.64 98.38 0.27 0.00 0.01 0.01 71 A H H 55.35 3.15 20.06 23.06 91.71 51.00 -63.92 -41.09 0.72 0.01 99.27 0.23 0.08 0.35 99.19 0.14 0.00 0.00 0.00 72 D H H 82.00 2.92 20.37 22.86 91.92 49.93 -65.23 -40.88 0.55 0.00 99.44 0.13 0.05 0.29 99.41 0.11 0.00 0.00 0.00 73 L H H 53.56 10.92 16.75 28.47 91.89 50.70 -64.23 -42.01 0.35 0.00 99.65 0.07 0.03 0.19 99.62 0.08 0.00 0.00 0.00 74 M H H 80.07 7.99 17.87 26.74 91.62 50.86 -63.45 -41.42 0.24 0.00 99.76 0.04 0.02 0.14 99.74 0.06 0.00 0.00 0.00 75 A H H 59.22 1.96 19.72 20.35 91.60 50.27 -63.73 -41.95 0.31 0.00 99.69 0.04 0.02 0.20 99.67 0.07 0.00 0.00 0.00 76 Y H H 102.73 4.52 18.18 23.39 92.10 49.13 -64.62 -42.07 0.46 0.00 99.54 0.06 0.03 0.31 99.49 0.11 0.00 0.00 0.00 77 C H H 29.74 12.74 13.16 26.91 92.06 50.18 -64.72 -41.28 0.61 0.00 99.38 0.07 0.04 0.42 99.32 0.16 0.00 0.00 0.00 78 E H H 114.53 3.58 16.86 21.27 91.68 50.85 -64.78 -38.34 1.54 0.00 98.45 0.09 0.07 1.26 98.18 0.39 0.00 0.00 0.00 79 A H H 73.16 1.44 17.47 17.44 92.40 50.64 -68.75 -33.84 8.36 0.01 91.64 0.16 0.27 8.22 90.59 0.74 0.01 0.00 0.00 80 H H H 86.30 6.28 13.94 21.78 100.08 35.92 -104.20 -6.45 28.80 0.05 71.15 1.01 1.34 26.45 69.32 1.77 0.03 0.02 0.04 81 A H G 33.27 13.29 9.53 23.38 92.33 97.34 -60.85 -35.84 26.28 0.19 73.53 2.94 1.94 20.45 16.29 58.15 0.00 0.12 0.10 82 K H G 157.35 1.48 15.01 16.68 91.48 57.49 -70.01 -24.41 31.49 0.10 68.41 1.05 1.55 28.62 7.85 60.82 0.00 0.06 0.05 83 E H G 145.61 1.27 15.17 15.66 97.54 44.47 -97.37 -5.48 31.67 0.16 68.17 1.86 3.36 25.28 4.51 64.84 0.00 0.08 0.07 84 D C C 45.68 11.62 8.43 20.90 111.38 92.56 -96.57 112.23 99.51 0.37 0.12 73.83 25.33 0.25 0.06 0.05 0.00 0.08 0.40 85 P C T 91.09 3.88 13.92 19.58 92.28 -152.80 -65.52 -22.01 77.04 0.19 22.76 2.03 4.01 69.46 1.61 22.70 0.00 0.09 0.10 86 L C T 92.18 7.16 13.00 21.45 93.11 65.44 -76.74 -13.53 76.79 0.42 22.78 1.78 4.50 69.73 1.88 21.67 0.00 0.23 0.20 87 L C T 74.14 10.20 11.96 22.74 97.86 62.78 -83.31 -17.81 66.12 4.29 29.58 16.56 20.93 29.30 2.77 26.02 0.03 2.05 2.34 88 T C S 82.40 4.39 14.52 20.27 116.97 59.23 -110.59 123.03 89.57 4.30 6.13 29.38 41.08 19.32 1.37 4.55 0.01 2.11 2.20 89 P C C 90.50 5.07 14.08 20.55 112.41 -120.51 -70.82 138.14 96.90 1.68 1.41 50.33 32.65 13.74 0.23 1.41 0.00 0.84 0.80 90 V C C 51.77 11.45 9.26 21.63 118.84 -138.63 -100.58 133.18 96.77 2.93 0.30 60.69 35.74 0.53 0.13 0.14 0.00 1.05 1.71 91 P C C 73.52 2.54 16.23 18.86 113.40 -108.62 -66.12 144.39 97.28 2.21 0.51 95.21 1.72 0.45 0.18 0.23 0.00 0.83 1.38 92 A H G 63.69 9.71 9.00 19.54 92.56 -122.16 -59.81 -32.21 32.05 0.40 67.54 4.25 4.14 20.99 1.58 68.72 0.00 0.23 0.09 93 S H G 95.20 0.91 13.52 13.90 92.12 62.37 -72.10 -16.14 32.51 0.20 67.30 1.73 2.70 24.55 1.42 69.44 0.00 0.11 0.04 94 E H G 126.07 2.73 13.28 16.86 97.92 52.04 -92.52 -5.93 28.42 0.45 71.13 3.90 5.11 17.37 1.49 71.77 0.00 0.24 0.12 95 N C C 38.17 12.62 8.81 22.27 111.76 84.10 -101.36 110.33 98.88 0.58 0.54 67.76 30.44 0.57 0.31 0.19 0.00 0.13 0.60 96 P C T 74.60 4.85 15.00 21.70 92.52 -155.12 -65.45 -23.39 66.35 0.27 33.38 5.72 5.52 54.13 15.14 19.08 0.01 0.12 0.26 97 F C T 77.38 10.76 11.99 23.80 94.65 62.15 -79.77 -9.26 61.39 0.49 38.11 5.25 5.41 48.67 19.57 20.36 0.05 0.25 0.44 98 R H H 116.24 7.90 12.22 21.47 94.26 84.44 -66.34 -26.91 44.43 1.50 54.07 18.92 9.25 16.18 27.25 26.83 0.04 0.75 0.77 99 E C H 130.84 2.57 14.06 17.16 96.97 59.54 -78.93 -15.85 49.21 1.68 49.11 25.21 9.07 14.74 29.49 19.79 0.04 0.84 0.82 100 K C H 111.98 6.34 11.70 19.44 102.91 69.92 -82.31 13.67 54.29 1.92 43.79 27.68 11.98 15.04 27.99 15.38 0.06 0.93 0.95 101 K C C 125.39 5.11 13.05 19.61 107.18 76.53 -82.86 90.15 60.24 2.71 37.05 33.84 11.42 15.32 24.88 11.89 0.04 1.45 1.16 102 F C C 110.96 7.24 11.80 20.29 108.10 72.69 -91.18 61.48 64.47 4.18 31.34 41.13 11.44 11.69 21.23 10.50 0.02 2.43 1.56 103 F C C 116.86 6.36 12.68 20.26 105.89 52.86 -86.50 11.74 62.46 7.09 30.46 39.39 11.38 11.44 20.08 10.95 0.04 4.72 2.00 104 C C C 69.28 7.46 11.05 19.77 105.59 58.26 -90.42 52.02 57.33 11.56 31.11 34.62 11.10 11.95 18.81 12.39 0.09 8.82 2.21 105 A C C 66.49 5.28 11.80 18.55 108.09 114.37 -87.09 102.93 47.49 22.27 30.24 29.86 8.64 9.99 18.64 11.33 0.19 18.65 2.70 106 I C C 104.90 5.60 11.17 18.19 107.76 -142.64 -90.34 96.90 52.77 23.81 23.42 42.22 2.72 7.51 16.91 6.40 0.07 19.82 4.35 107 L C C 93.91 7.91 12.69 21.44 108.19 51.15 -90.37 90.75 98.25 1.62 0.13 98.02 0.21 0.15 0.08 0.02 0.00 1.44 0.09