# 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 117.30 4.91 11.31 17.90 113.88 -159.05 -95.27 128.47 99.87 0.10 0.02 99.80 0.09 0.04 0.01 0.00 0.00 0.05 0.01 1 H C C 128.30 3.80 9.56 15.24 114.91 -161.87 -99.84 129.72 92.04 2.40 5.56 89.41 0.88 2.56 4.04 0.87 0.00 1.33 0.90 2 H C C 127.00 3.64 9.18 14.63 112.62 -151.33 -92.24 126.49 84.04 3.37 12.59 69.97 7.62 5.96 10.68 2.58 0.00 1.96 1.23 3 H C C 127.23 3.64 9.81 15.02 102.58 -157.96 -80.74 -10.30 63.66 2.30 34.04 48.78 7.48 7.05 29.31 5.28 0.00 1.33 0.77 4 H H H 121.49 4.00 10.68 16.17 99.60 61.04 -76.31 -27.16 46.11 1.70 52.18 31.89 7.05 7.93 43.99 7.58 0.01 1.02 0.53 5 H H H 116.18 3.95 11.71 17.02 97.38 60.51 -73.09 -31.55 38.05 1.66 60.29 26.81 5.69 6.80 51.72 7.47 0.01 1.02 0.47 6 H H H 112.45 3.38 13.37 17.70 95.71 58.25 -69.60 -37.43 31.37 1.86 66.77 23.68 4.57 5.10 59.04 5.95 0.01 1.18 0.47 7 I H H 78.84 6.07 12.76 20.35 94.38 52.98 -67.92 -39.28 23.40 1.72 74.88 17.44 3.70 4.48 67.94 4.86 0.01 1.16 0.39 8 A H H 49.98 6.56 12.84 21.00 94.14 53.28 -66.61 -38.62 23.44 1.40 75.17 16.30 3.48 5.37 68.23 5.30 0.01 0.97 0.33 9 Q H H 108.71 2.86 15.55 18.87 93.64 53.14 -68.00 -37.10 26.27 1.14 72.59 15.67 4.36 7.68 65.21 5.99 0.02 0.72 0.34 10 Q H H 100.08 4.41 15.53 20.86 94.36 52.50 -70.49 -33.27 33.53 1.03 65.44 18.64 6.12 9.97 59.50 4.81 0.02 0.56 0.37 11 H H H 74.86 11.09 12.88 24.49 97.99 53.11 -77.26 -23.73 45.10 0.99 53.91 30.06 6.23 8.93 50.67 3.22 0.01 0.48 0.39 12 K H H 121.02 4.65 16.64 22.29 94.16 70.58 -66.61 -38.20 30.56 0.53 68.91 18.64 5.16 6.82 66.87 2.08 0.01 0.24 0.19 13 D H H 90.78 3.95 18.69 22.87 93.75 50.99 -68.94 -35.13 27.41 0.43 72.16 15.62 4.53 7.03 70.70 1.77 0.01 0.19 0.15 14 T H H 41.46 13.70 16.77 30.27 94.48 52.45 -69.63 -37.75 19.65 0.58 79.77 13.01 3.11 4.10 77.98 1.37 0.01 0.29 0.15 15 V H H 57.51 11.80 19.06 30.87 92.77 53.09 -64.51 -41.70 7.84 0.38 91.78 5.08 1.21 2.05 90.57 0.79 0.01 0.22 0.08 16 A H H 52.16 4.56 23.20 27.50 91.90 50.58 -64.07 -41.91 3.90 0.18 95.92 2.16 0.55 1.42 95.03 0.68 0.00 0.12 0.04 17 A H H 33.95 9.85 21.78 32.28 91.97 50.18 -64.65 -41.82 2.64 0.10 97.26 1.23 0.34 1.11 96.68 0.54 0.00 0.06 0.02 18 C H H 18.88 18.34 19.49 37.63 91.94 50.54 -64.29 -42.21 1.71 0.04 98.26 0.75 0.21 0.70 98.05 0.26 0.00 0.02 0.01 19 E H H 88.45 8.17 25.08 33.44 91.53 51.13 -63.79 -41.74 0.93 0.01 99.06 0.32 0.09 0.42 99.03 0.13 0.00 0.01 0.00 20 A H H 48.68 5.63 25.35 31.10 91.55 50.09 -63.94 -42.36 0.64 0.01 99.36 0.18 0.05 0.31 99.36 0.09 0.00 0.00 0.00 21 A H H 17.36 16.48 21.44 37.94 91.89 50.32 -64.59 -42.14 0.58 0.01 99.41 0.15 0.05 0.29 99.43 0.08 0.00 0.00 0.00 22 E H H 53.88 16.29 22.61 37.82 91.52 51.22 -63.32 -41.68 0.79 0.01 99.20 0.19 0.06 0.42 99.23 0.10 0.00 0.00 0.00 23 A H H 51.25 5.44 24.85 30.30 91.58 50.71 -64.39 -41.77 1.42 0.02 98.57 0.33 0.11 0.81 98.55 0.18 0.00 0.01 0.00 24 I H H 65.58 8.19 23.86 32.40 91.77 49.12 -65.24 -41.61 2.21 0.08 97.72 0.58 0.22 1.30 97.45 0.37 0.01 0.05 0.01 25 A H H 10.93 18.68 17.85 36.68 92.27 50.66 -64.97 -41.44 4.39 0.25 95.36 1.32 0.49 2.57 94.62 0.75 0.02 0.17 0.04 26 I H H 67.00 10.13 20.38 30.77 92.77 49.33 -66.32 -39.47 9.87 0.75 89.37 2.79 1.23 6.00 88.08 1.16 0.08 0.51 0.16 27 A H H 61.04 4.28 20.17 24.43 93.02 52.95 -67.97 -35.18 22.35 0.84 76.82 7.02 3.11 12.39 75.07 1.62 0.07 0.47 0.27 28 K H H 98.71 8.69 17.17 26.33 96.49 53.55 -76.27 -23.58 38.96 1.85 59.19 10.88 7.27 22.16 54.89 2.96 0.16 1.03 0.66 29 D C H 61.27 12.76 14.38 27.09 99.42 61.73 -80.32 16.87 51.81 3.05 45.14 25.85 8.64 18.27 40.69 3.76 0.06 1.78 0.95 30 Q C C 109.60 5.55 16.88 23.46 101.58 92.51 -81.70 22.63 58.00 8.28 33.71 32.49 11.23 14.72 28.89 4.90 0.12 5.70 1.95 31 V C C 70.19 9.22 13.93 24.18 111.06 99.86 -95.28 112.71 51.83 19.38 28.79 30.39 10.71 11.52 23.64 5.24 0.31 13.94 4.24 32 W C C 107.39 10.76 12.09 23.56 110.71 -140.90 -103.15 103.41 52.24 21.46 26.30 23.96 12.27 17.35 18.58 7.26 0.85 13.48 6.27 33 D C T 121.15 1.98 16.46 18.72 97.26 -53.52 48.57 40.43 78.85 3.91 17.24 13.03 15.41 50.47 8.78 8.20 0.07 2.48 1.55 34 G C T 43.54 7.70 14.32 22.93 97.19 -58.92 82.24 2.19 83.10 4.02 12.88 15.94 19.85 48.36 4.28 7.65 0.03 2.55 1.35 35 E C C 91.99 7.94 17.02 25.98 112.79 121.33 -95.33 134.02 72.38 19.32 8.31 28.39 21.28 25.14 2.55 5.23 0.09 13.35 3.97 36 G C C 21.28 12.50 18.86 31.50 121.66 -119.98 113.86 166.52 70.99 26.75 2.26 31.98 22.01 18.84 0.42 1.87 0.01 23.20 1.68 37 Y E E 47.96 18.92 17.73 35.87 129.00 -133.88 -124.12 146.97 47.06 52.45 0.50 36.24 8.94 1.63 0.10 0.43 0.00 51.74 0.93 38 T E E 30.02 13.91 22.91 37.23 125.24 -159.51 -119.14 140.21 10.79 89.13 0.08 9.31 1.12 0.17 0.02 0.05 0.00 89.09 0.24 39 K E E 55.79 17.86 20.03 37.01 119.63 -151.61 -108.94 129.97 1.68 98.31 0.01 1.50 0.08 0.01 0.00 0.00 0.00 98.36 0.04 40 Y E E 56.47 13.65 20.58 34.70 124.50 -172.61 -121.30 136.87 0.54 99.46 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 41 T E E 50.85 11.76 17.86 30.31 115.23 -146.08 -101.64 123.77 1.74 98.26 0.01 1.52 0.09 0.01 0.00 0.00 0.00 98.31 0.07 42 F E E 85.46 10.57 15.73 27.16 100.60 175.04 -90.06 -35.89 24.94 74.90 0.16 17.48 6.13 1.29 0.02 0.14 0.00 74.65 0.29 43 D C E 73.16 3.24 19.25 22.35 137.41 -15.31 -156.78 172.28 56.70 42.31 0.99 7.99 25.30 25.42 0.06 0.94 0.00 39.40 0.89 44 D C T 112.79 3.52 16.24 21.11 93.69 -75.24 -64.49 -20.91 99.21 0.27 0.52 1.05 24.31 73.86 0.01 0.54 0.00 0.18 0.05 45 N C T 73.63 10.89 15.74 26.99 102.18 26.06 -113.39 3.65 99.04 0.64 0.32 1.71 30.55 66.83 0.01 0.34 0.00 0.50 0.06 46 S E E 20.91 12.57 19.45 33.41 131.16 69.76 -131.00 146.87 11.80 88.19 0.00 10.17 1.02 0.05 0.00 0.00 0.00 88.57 0.19 47 V E E 7.81 21.61 18.16 40.42 128.94 -172.36 -129.83 142.19 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 48 L E E 27.89 12.84 25.15 39.02 118.46 -147.22 -106.81 129.38 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 49 I E E 10.26 21.26 19.29 40.94 124.25 -169.27 -120.29 135.85 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 50 Q E E 53.00 10.86 20.31 32.23 120.00 -156.74 -112.85 129.98 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 51 S E E 35.99 12.63 14.38 27.62 114.20 -176.37 -125.78 107.03 20.48 79.48 0.03 16.17 2.48 0.29 0.00 0.03 0.00 80.85 0.17 52 G C T 52.90 2.03 16.08 18.44 109.88 -50.61 62.38 -126.26 99.41 0.45 0.14 0.97 25.83 72.65 0.00 0.16 0.00 0.35 0.04 53 T C T 117.48 1.45 14.17 15.72 96.88 -19.26 -92.67 -3.99 99.65 0.24 0.11 0.97 25.32 73.39 0.00 0.12 0.00 0.18 0.02 54 T E E 66.72 6.64 14.70 23.08 122.08 88.15 -105.12 138.09 16.18 83.80 0.01 12.91 2.18 0.14 0.00 0.01 0.00 84.56 0.20 55 Q E E 79.10 13.38 15.13 28.73 124.11 -164.27 -118.50 135.50 1.02 98.97 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.02 56 Y E E 56.42 13.21 20.39 34.22 127.56 -174.09 -128.42 141.31 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 57 A E E 38.99 14.59 21.62 35.66 120.35 -146.09 -103.64 134.68 0.65 99.35 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 58 M E E 20.71 18.78 17.96 36.82 132.66 -176.35 -133.84 150.73 4.34 95.65 0.01 3.84 0.26 0.01 0.00 0.00 0.00 95.72 0.15 59 D E E 57.09 8.01 23.25 31.72 110.20 -115.67 -81.87 126.72 22.76 77.17 0.06 21.25 1.06 0.13 0.02 0.04 0.00 76.68 0.82 60 A C T 24.08 19.68 13.40 32.78 94.05 -145.54 -70.44 -15.96 96.90 1.35 1.75 10.71 9.49 76.76 0.20 1.59 0.00 1.03 0.22 61 D C T 108.94 2.97 19.30 22.65 93.72 64.48 -82.87 -9.31 98.01 0.32 1.66 3.96 16.15 77.81 0.13 1.64 0.00 0.20 0.11 62 D C C 68.42 6.07 16.17 23.63 110.80 75.96 -106.25 106.33 97.10 1.22 1.69 72.54 23.20 1.46 0.79 0.72 0.00 0.41 0.89 63 A H H 55.49 11.62 12.60 24.97 93.43 -164.40 -62.62 -34.86 9.43 0.04 90.53 1.68 1.59 6.40 87.57 2.70 0.01 0.02 0.02 64 D H H 109.38 1.36 19.66 19.85 92.18 56.33 -65.16 -38.81 5.97 0.03 94.00 0.60 0.68 4.93 90.90 2.83 0.03 0.01 0.01 65 S H H 32.59 8.72 17.61 27.78 92.33 50.31 -65.55 -40.23 2.78 0.03 97.19 0.59 0.33 1.87 94.46 2.71 0.01 0.03 0.01 66 I H H 13.74 21.43 14.37 35.67 92.08 50.31 -64.47 -42.74 1.16 0.02 98.82 0.30 0.15 0.68 98.04 0.81 0.00 0.01 0.00 67 K H H 105.88 6.54 22.33 29.41 91.73 51.08 -62.94 -41.27 0.95 0.01 99.04 0.17 0.09 0.63 98.58 0.54 0.00 0.00 0.00 68 G H H 30.76 3.46 22.98 26.20 91.50 50.71 -63.53 -42.25 1.55 0.01 98.44 0.19 0.11 1.16 97.86 0.68 0.00 0.00 0.00 69 Y H H 38.33 16.02 19.72 35.70 92.22 49.08 -65.03 -41.95 1.28 0.00 98.72 0.18 0.11 0.88 98.02 0.81 0.00 0.00 0.00 70 A H H 12.63 18.09 17.17 35.47 91.62 52.10 -63.14 -40.94 2.05 0.01 97.94 0.32 0.18 1.41 96.67 1.39 0.00 0.01 0.00 71 D H H 95.21 2.50 22.94 24.92 91.93 51.91 -64.82 -39.01 8.25 0.03 91.72 0.64 0.48 6.91 89.77 2.15 0.02 0.02 0.01 72 W H H 109.29 7.31 19.70 27.59 92.75 50.61 -68.01 -38.26 15.34 0.09 84.57 1.61 1.40 12.15 82.24 2.46 0.04 0.04 0.05 73 L H H 30.80 18.10 14.77 32.35 96.53 49.45 -78.00 -29.17 31.29 0.85 67.86 9.17 7.06 16.57 63.93 2.37 0.10 0.35 0.45 74 D C H 68.04 9.47 16.51 26.32 102.86 57.61 -72.05 -23.98 51.35 0.90 47.75 25.96 8.11 17.51 44.45 3.12 0.01 0.39 0.43 75 D H H 102.53 2.95 16.30 19.91 96.96 54.05 -71.40 -29.78 40.37 0.71 58.91 14.32 8.95 18.50 50.96 6.50 0.06 0.34 0.36 76 E H H 118.85 3.70 16.47 20.75 97.03 53.49 -73.27 -23.23 35.53 0.88 63.59 14.08 7.12 15.97 55.02 6.88 0.07 0.46 0.40 77 A H H 34.17 12.96 11.92 25.22 99.53 63.24 -73.45 -29.09 36.98 1.01 62.01 21.34 7.75 9.50 54.97 5.51 0.02 0.51 0.40 78 R H H 118.62 6.84 15.68 23.40 99.00 56.70 -73.83 -31.50 40.45 0.91 58.64 27.78 5.96 7.18 55.00 3.31 0.01 0.42 0.34 79 S H H 72.31 3.06 16.81 20.16 95.29 51.46 -66.32 -39.46 25.34 0.51 74.15 15.24 4.47 6.60 69.83 3.42 0.01 0.25 0.19 80 A H H 61.57 3.51 17.20 21.10 93.74 50.86 -68.04 -38.45 19.51 0.34 80.15 9.46 3.52 7.16 75.91 3.62 0.02 0.17 0.13 81 E H H 70.42 10.73 16.25 27.48 93.61 50.60 -68.13 -38.22 15.51 0.28 84.21 9.55 2.04 4.53 81.00 2.62 0.00 0.14 0.10 82 A H H 38.14 9.44 15.96 26.67 92.28 53.63 -63.13 -41.13 5.06 0.06 94.89 2.84 0.70 1.56 93.98 0.89 0.00 0.03 0.01 83 S H H 60.98 2.18 21.05 21.89 91.92 50.35 -64.25 -40.80 2.60 0.03 97.37 1.24 0.35 1.00 96.88 0.51 0.00 0.01 0.01 84 E H H 77.10 7.12 19.46 27.46 92.20 50.32 -65.17 -41.28 1.42 0.02 98.56 0.59 0.19 0.61 98.27 0.32 0.00 0.01 0.00 85 I H H 24.17 17.51 15.64 33.33 92.14 50.62 -64.20 -42.15 0.77 0.01 99.22 0.30 0.09 0.34 99.09 0.17 0.00 0.00 0.00 86 E H H 98.34 4.74 20.81 25.99 91.25 51.37 -63.37 -41.08 0.64 0.01 99.35 0.23 0.07 0.30 99.27 0.13 0.00 0.00 0.00 87 R H H 130.15 2.35 21.59 22.93 91.71 50.19 -64.45 -41.53 0.72 0.01 99.27 0.22 0.07 0.38 99.16 0.15 0.00 0.01 0.00 88 L H H 37.35 12.98 17.47 31.22 92.19 49.84 -64.67 -41.87 0.92 0.01 99.06 0.26 0.09 0.51 98.92 0.21 0.00 0.01 0.00 89 L H H 49.17 11.60 17.16 29.57 91.71 50.40 -64.04 -41.24 1.52 0.03 98.46 0.40 0.15 0.86 98.20 0.36 0.00 0.02 0.00 90 E H H 104.65 2.07 19.56 20.60 91.68 50.69 -64.14 -40.18 3.87 0.04 96.09 0.84 0.36 2.43 95.52 0.80 0.01 0.02 0.01 91 S H H 46.34 5.01 15.49 22.04 92.12 52.52 -65.75 -38.31 10.47 0.08 89.45 1.80 0.93 7.25 88.30 1.64 0.01 0.04 0.03 92 V H H 50.94 11.79 11.86 24.29 93.43 53.37 -68.88 -34.31 17.75 0.23 82.02 4.55 2.22 10.77 80.09 2.13 0.02 0.12 0.10 93 E H H 125.58 3.39 12.69 17.45 94.61 56.89 -72.13 -24.57 34.64 0.98 64.37 13.12 4.97 16.94 62.07 1.97 0.04 0.43 0.45 94 E C C 138.86 1.82 10.69 13.52 101.28 66.57 -81.03 3.89 65.60 0.77 33.63 39.73 1.32 21.25 35.64 1.32 0.00 0.32 0.42 95 E C C 127.26 4.39 11.18 17.27 107.83 87.93 -81.37 108.48 99.94 0.02 0.04 99.82 0.06 0.07 0.03 0.00 0.00 0.01 0.00