# 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 104.69 7.98 13.85 22.46 115.84 -163.74 -97.55 133.74 99.65 0.24 0.12 99.57 0.12 0.08 0.07 0.01 0.00 0.11 0.04 1 A C C 70.18 6.61 11.48 19.01 112.80 -149.33 -89.37 130.25 73.71 8.52 17.77 67.56 1.68 4.76 14.23 3.06 0.00 6.51 2.21 2 A C C 73.14 5.01 10.71 17.01 110.61 -139.32 -90.02 131.76 60.37 13.79 25.84 43.35 8.50 8.01 19.97 6.56 0.03 11.30 2.28 3 A C C 73.02 4.99 11.46 17.73 112.33 -146.80 -94.02 123.42 48.96 18.72 32.32 32.66 8.45 7.93 23.68 8.78 0.09 16.17 2.24 4 C C C 74.31 7.35 10.58 19.12 114.67 -144.83 -98.25 128.04 45.08 20.48 34.44 29.96 7.52 7.69 25.63 8.82 0.10 18.02 2.25 5 A C C 67.21 5.75 12.16 19.20 113.94 -148.65 -96.48 131.53 44.66 22.63 32.72 29.50 7.45 7.37 25.56 7.36 0.10 20.47 2.20 6 V C C 87.66 6.78 10.66 18.79 114.93 -144.09 -97.85 126.92 43.75 26.56 29.69 29.27 7.03 7.08 24.49 5.69 0.16 23.09 3.19 7 R C C 154.49 4.19 11.83 17.44 113.57 -147.58 -91.56 124.96 56.45 16.79 26.76 24.43 9.04 22.31 21.52 5.98 0.24 13.91 2.56 8 G C T 50.91 4.10 12.44 17.66 109.71 2.62 76.97 -6.15 74.26 5.09 20.64 22.74 13.84 37.65 14.42 6.36 0.07 3.70 1.23 9 F C C 131.35 6.04 10.60 17.83 109.05 53.19 -92.44 89.50 70.00 8.05 21.95 33.13 15.38 21.74 14.47 7.52 0.08 5.69 1.99 10 T C C 89.81 4.65 11.50 17.61 112.94 131.77 -97.41 125.28 61.38 16.54 22.08 32.60 15.08 14.61 14.46 7.53 0.21 12.38 3.12 11 T C C 88.92 5.16 11.63 18.11 112.70 -147.58 -96.83 123.16 60.27 18.83 20.90 33.10 15.16 12.96 13.84 7.08 0.18 14.42 3.26 12 A C C 67.23 6.42 10.75 18.57 114.19 -146.09 -93.50 130.43 64.40 16.79 18.81 38.44 16.52 9.66 12.75 6.34 0.08 13.30 2.90 13 R C C 143.17 4.83 11.79 18.28 117.91 -145.53 -97.49 136.81 72.57 13.32 14.11 46.97 20.71 4.97 9.40 4.96 0.03 10.61 2.35 14 P C C 84.68 6.18 11.03 18.71 112.72 -106.75 -68.27 145.21 72.20 11.01 16.79 58.55 6.28 7.26 7.93 8.60 0.00 9.15 2.23 15 M C C 123.18 5.34 10.01 16.83 108.40 -127.79 -85.66 99.94 74.64 8.44 16.92 46.68 15.01 13.34 7.15 9.63 0.02 5.37 2.79 16 L C C 114.44 3.90 10.26 15.80 113.32 -147.08 -96.58 127.58 81.70 7.76 10.55 44.93 27.24 9.92 5.22 5.06 0.02 4.15 3.45 17 T C C 83.49 4.46 10.58 16.61 117.58 -126.82 -95.19 139.01 94.51 2.91 2.58 69.33 22.67 2.60 1.40 1.12 0.00 1.50 1.37 18 P C T 90.49 5.34 9.30 16.26 103.91 -111.90 -67.55 133.19 76.48 1.58 21.94 31.92 12.39 32.84 6.73 14.51 0.01 0.82 0.78 19 N C T 120.67 2.38 11.16 14.80 104.50 67.88 -84.44 17.17 72.15 2.12 25.73 22.85 14.46 35.86 8.92 15.70 0.02 1.11 1.07 20 K C C 134.38 3.55 10.65 15.64 109.63 71.96 -89.94 99.45 68.54 5.88 25.58 40.18 15.24 13.66 9.22 16.03 0.02 3.27 2.38 21 V C C 75.47 9.08 7.85 17.61 112.30 97.69 -92.72 120.54 79.84 6.54 13.62 60.30 10.21 8.99 8.45 5.36 0.00 4.26 2.42 22 K C C 151.01 2.38 12.20 15.68 104.97 -138.99 -93.18 13.18 84.60 5.67 9.73 59.01 16.17 9.32 5.65 4.16 0.00 3.40 2.30 23 V C C 101.01 3.03 11.20 15.76 117.85 69.39 -105.97 134.10 92.25 3.29 4.46 60.40 29.15 2.97 2.87 1.59 0.00 1.71 1.31 24 P C C 92.32 4.90 10.32 17.06 113.03 -108.52 -66.24 145.32 90.42 2.22 7.36 60.33 10.02 20.14 2.59 4.72 0.00 1.43 0.76 25 G C C 46.07 6.54 9.67 17.48 115.42 -125.83 -85.58 151.82 90.62 3.15 6.23 51.56 16.01 23.11 1.46 4.86 0.00 1.79 1.22 26 R C C 161.41 3.07 11.95 16.51 116.34 -125.27 -94.51 137.27 89.27 5.71 5.01 61.12 22.67 5.17 1.76 3.24 0.00 2.70 3.34 27 K C C 136.07 4.15 11.26 17.31 114.84 -120.96 -88.85 129.09 96.01 2.37 1.62 76.81 17.67 1.66 0.78 0.77 0.00 1.31 0.99 28 P C C 70.76 8.79 8.74 18.67 111.80 -115.11 -68.35 147.14 88.89 1.63 9.49 70.15 7.07 11.88 3.28 5.94 0.00 0.95 0.74 29 Q C C 129.21 2.90 11.00 15.42 107.96 -130.97 -84.75 118.54 84.63 2.43 12.94 52.47 15.53 16.64 5.44 7.36 0.00 1.18 1.37 30 D C C 99.52 3.74 10.41 15.68 110.76 -133.87 -93.25 112.98 75.59 2.04 22.37 38.04 23.60 14.52 13.44 8.28 0.02 0.86 1.24 31 E C C 129.78 3.82 10.27 15.69 104.22 -144.86 -82.22 28.73 62.48 1.48 36.04 32.71 16.01 14.35 25.38 10.08 0.02 0.66 0.79 32 E C C 117.99 4.31 11.13 16.98 107.06 102.32 -84.66 87.03 56.61 1.75 41.64 33.55 11.21 12.40 31.45 9.69 0.02 0.86 0.81 33 D C H 81.01 6.52 11.10 19.01 106.99 64.44 -87.86 100.74 50.19 2.01 47.80 34.67 7.50 8.74 38.73 8.45 0.01 1.10 0.79 34 L H H 90.62 6.07 11.72 19.17 107.35 75.09 -82.89 80.97 38.38 1.97 59.64 23.29 7.19 9.94 48.92 8.78 0.03 1.19 0.66 35 T H H 74.05 4.96 12.89 19.19 107.29 54.61 -83.99 127.06 35.72 2.93 61.35 21.42 6.19 9.95 51.07 8.50 0.05 2.03 0.80 36 W H H 129.83 6.74 11.58 19.66 100.79 -104.91 -74.05 -30.89 29.64 3.66 66.70 17.49 6.07 8.51 54.36 9.94 0.09 2.62 0.92 37 A H H 64.69 4.11 12.93 18.23 96.69 59.87 -69.31 -35.28 34.28 2.70 63.03 19.32 6.13 10.69 53.21 8.04 0.07 1.81 0.75 38 E H H 115.81 3.68 13.01 17.69 96.45 53.70 -71.84 -28.79 45.20 2.12 52.68 25.39 7.44 14.17 44.58 6.39 0.04 1.16 0.82 39 A C C 57.22 6.76 10.70 18.88 97.34 60.61 -75.17 -24.86 64.06 0.99 34.95 42.09 8.90 12.44 31.60 4.05 0.00 0.44 0.47 40 D C C 92.17 4.89 11.66 17.98 100.50 61.58 -82.00 -2.53 76.72 0.93 22.35 56.19 6.68 12.95 19.06 4.19 0.00 0.45 0.47 41 R C C 155.67 3.29 11.97 16.64 101.73 80.78 -82.12 6.95 77.70 1.27 21.03 52.33 10.61 14.22 15.98 5.60 0.00 0.65 0.60 42 K C C 138.80 3.09 12.72 17.13 109.77 70.05 -87.75 107.06 78.62 2.72 18.67 54.16 10.79 13.09 13.86 5.41 0.00 1.49 1.19 43 L C C 67.11 11.36 9.19 21.01 115.02 -158.65 -91.04 136.03 84.11 2.68 13.21 63.76 15.11 4.77 11.18 2.53 0.00 1.12 1.53 44 T C C 61.52 4.50 13.52 19.54 117.26 -117.89 -75.51 156.94 89.85 0.61 9.54 80.50 6.86 1.29 10.37 0.49 0.00 0.23 0.26 45 P H H 95.20 2.57 13.75 17.25 92.23 -109.36 -58.43 -38.11 7.50 0.06 92.44 3.45 1.17 2.94 90.91 1.48 0.00 0.03 0.03 46 E H H 114.06 2.98 15.47 19.05 92.54 51.67 -65.70 -39.31 4.28 0.05 95.68 1.46 0.58 2.30 93.93 1.69 0.00 0.02 0.02 47 E H H 61.86 9.84 13.70 24.71 92.89 49.45 -66.78 -39.14 2.35 0.04 97.61 1.06 0.32 1.04 96.00 1.55 0.00 0.02 0.01 48 R H H 107.50 5.92 16.55 23.44 92.31 52.09 -64.14 -41.43 1.51 0.02 98.47 0.65 0.19 0.63 97.98 0.53 0.00 0.01 0.00 49 Y H H 121.35 2.34 19.26 20.82 92.05 50.08 -64.44 -41.85 1.47 0.02 98.51 0.55 0.16 0.70 98.26 0.32 0.00 0.01 0.00 50 A H H 35.81 6.93 17.01 25.51 92.04 50.44 -64.45 -41.91 1.26 0.01 98.73 0.47 0.13 0.59 98.56 0.24 0.00 0.01 0.00 51 R H H 83.48 10.05 16.73 27.40 91.92 50.96 -64.33 -40.76 1.12 0.01 98.87 0.39 0.11 0.54 98.79 0.17 0.00 0.00 0.00 52 D H H 80.55 3.15 19.94 22.82 91.92 50.62 -64.56 -40.85 0.99 0.01 99.00 0.38 0.10 0.44 98.96 0.11 0.00 0.00 0.00 53 K H H 114.37 2.61 19.88 22.02 92.01 49.80 -65.37 -40.88 0.67 0.00 99.33 0.24 0.07 0.30 99.31 0.08 0.00 0.00 0.00 54 Q H H 62.27 10.46 17.34 28.36 92.07 50.37 -65.08 -41.19 0.48 0.00 99.51 0.16 0.04 0.23 99.51 0.06 0.00 0.00 0.00 55 M H H 74.49 8.25 18.18 27.02 91.80 51.07 -63.76 -41.51 0.34 0.00 99.65 0.11 0.03 0.16 99.66 0.04 0.00 0.00 0.00 56 A H H 54.66 2.41 20.81 22.25 91.40 50.43 -63.67 -41.88 0.36 0.00 99.63 0.10 0.03 0.18 99.65 0.05 0.00 0.00 0.00 57 L H H 67.32 5.81 19.40 25.99 91.96 49.66 -64.65 -42.00 0.41 0.00 99.58 0.10 0.03 0.22 99.59 0.05 0.00 0.00 0.00 58 L H H 42.08 12.85 16.32 29.84 91.85 50.34 -64.43 -41.46 0.37 0.00 99.62 0.09 0.03 0.19 99.63 0.05 0.00 0.00 0.00 59 D H H 80.77 4.22 20.07 24.50 91.49 51.03 -63.98 -40.82 0.53 0.00 99.47 0.11 0.04 0.29 99.48 0.07 0.00 0.00 0.00 60 K H H 121.39 2.07 21.04 22.00 91.78 49.91 -65.18 -41.15 0.80 0.00 99.19 0.15 0.06 0.48 99.21 0.10 0.00 0.00 0.00 61 M H H 55.85 10.07 17.83 28.59 91.90 49.53 -65.35 -41.61 0.75 0.00 99.25 0.17 0.06 0.41 99.24 0.11 0.00 0.00 0.00 62 T H H 44.27 9.76 17.58 28.12 91.68 50.65 -63.63 -41.62 0.58 0.00 99.41 0.17 0.05 0.29 99.39 0.10 0.00 0.00 0.00 63 S H H 57.74 2.25 20.76 21.83 91.49 50.64 -63.76 -41.38 0.66 0.00 99.34 0.15 0.05 0.37 99.33 0.11 0.00 0.00 0.00 64 Q H H 87.35 4.12 19.91 24.16 91.84 50.08 -65.35 -40.81 0.80 0.00 99.20 0.15 0.06 0.47 99.19 0.13 0.00 0.00 0.00 65 V H H 35.60 12.17 15.48 28.58 91.87 50.59 -64.63 -41.87 0.67 0.00 99.33 0.17 0.06 0.36 99.27 0.14 0.00 0.00 0.00 66 E H H 98.44 3.99 19.06 23.35 91.53 51.18 -63.27 -41.33 0.85 0.00 99.15 0.20 0.07 0.46 99.07 0.19 0.00 0.00 0.00 67 E H H 106.83 1.88 19.57 20.10 91.92 49.74 -64.91 -41.10 1.69 0.01 98.31 0.33 0.15 1.03 98.11 0.37 0.00 0.00 0.00 68 L H H 57.10 7.42 15.36 24.26 92.15 50.23 -65.54 -40.28 2.94 0.01 97.04 0.61 0.31 1.80 96.63 0.63 0.00 0.01 0.01 69 E H H 84.05 7.58 14.87 23.48 92.04 52.10 -65.16 -38.53 7.40 0.05 92.55 1.62 0.88 4.60 91.83 1.01 0.01 0.02 0.02 70 K H H 135.50 1.56 16.84 17.63 92.90 51.77 -68.06 -34.03 20.48 0.15 79.37 4.38 2.71 13.25 77.87 1.61 0.02 0.06 0.09 71 S H H 63.05 2.98 14.37 17.95 95.80 54.02 -74.33 -27.68 39.96 0.35 59.69 13.60 6.74 19.32 57.83 2.16 0.02 0.13 0.19 72 H H H 91.85 6.39 11.12 18.97 99.47 65.10 -74.55 -26.74 49.44 0.80 49.76 31.15 8.33 10.00 46.73 3.07 0.00 0.32 0.38 73 T H H 80.93 2.90 12.78 16.59 96.72 65.74 -69.00 -37.65 40.68 0.84 58.48 25.67 6.15 9.46 53.11 4.84 0.01 0.41 0.34 74 E H H 124.66 2.14 12.72 15.36 95.05 52.17 -69.70 -35.10 37.92 0.94 61.14 21.45 7.00 10.64 54.08 5.97 0.02 0.47 0.37 75 Q H H 110.21 3.15 12.11 16.37 96.82 52.30 -73.46 -33.93 40.73 0.96 58.30 24.41 7.02 10.21 52.04 5.44 0.01 0.47 0.39 76 K H H 127.36 3.25 12.19 16.56 97.78 52.80 -72.39 -28.76 42.52 0.89 56.59 24.06 8.76 10.66 51.39 4.34 0.02 0.41 0.38 77 K H H 138.38 2.34 13.11 16.20 98.69 58.09 -68.95 -19.38 45.36 0.82 53.82 26.39 8.52 10.79 49.71 3.86 0.01 0.37 0.34 78 S C H 63.22 4.23 12.70 18.11 100.04 54.50 -79.04 -15.47 52.60 0.81 46.58 32.21 8.48 11.24 44.12 3.24 0.00 0.37 0.34 79 N C H 80.18 6.41 12.12 19.85 102.22 58.67 -84.18 -5.04 50.63 0.68 48.69 33.90 7.77 8.42 46.65 2.68 0.00 0.28 0.30 80 K H H 140.29 1.88 15.49 17.39 95.09 59.09 -66.40 -36.71 18.00 0.17 81.83 7.94 3.39 6.82 79.82 1.87 0.01 0.07 0.08 81 G H H 37.04 3.15 16.43 20.12 94.06 50.54 -64.82 -40.10 14.45 0.15 85.40 6.13 2.35 6.18 83.52 1.68 0.01 0.07 0.06 82 V H H 41.36 10.47 13.55 25.36 92.59 51.46 -65.48 -41.24 5.69 0.09 94.23 3.17 0.81 1.96 92.96 1.03 0.00 0.05 0.03 83 K H H 106.17 5.35 17.44 23.70 91.93 51.82 -63.52 -40.89 1.85 0.02 98.13 0.88 0.26 0.73 97.67 0.45 0.00 0.01 0.00 84 A H H 58.68 1.90 19.79 20.31 91.76 50.27 -64.08 -41.42 1.16 0.01 98.83 0.43 0.14 0.53 98.60 0.30 0.00 0.00 0.00 85 Q H H 83.83 5.94 18.79 25.37 92.34 49.75 -65.43 -41.09 0.99 0.01 99.00 0.33 0.11 0.48 98.85 0.23 0.00 0.00 0.00 86 I H H 44.08 12.47 15.85 29.15 91.99 50.23 -64.18 -42.18 0.63 0.00 99.36 0.20 0.07 0.30 99.31 0.11 0.00 0.00 0.00 87 E H H 104.21 2.77 20.95 23.17 91.44 50.43 -63.58 -41.08 0.55 0.00 99.45 0.15 0.05 0.27 99.45 0.08 0.00 0.00 0.00 88 A H H 53.77 2.78 20.35 22.65 91.65 50.04 -64.20 -41.23 0.66 0.00 99.34 0.16 0.05 0.36 99.35 0.08 0.00 0.00 0.00 89 I H H 42.95 10.94 16.71 28.83 91.92 49.84 -64.63 -41.84 0.52 0.00 99.48 0.13 0.04 0.27 99.49 0.07 0.00 0.00 0.00 90 S H H 41.94 7.91 17.85 26.87 91.61 51.71 -63.29 -41.10 0.55 0.00 99.45 0.14 0.04 0.27 99.48 0.06 0.00 0.00 0.00 91 R H H 144.11 1.51 21.09 20.72 91.83 50.13 -64.87 -41.47 0.56 0.00 99.44 0.12 0.04 0.29 99.48 0.06 0.00 0.00 0.00 92 Q H H 87.91 4.80 19.46 24.64 92.03 49.66 -65.26 -40.99 0.46 0.00 99.54 0.08 0.03 0.25 99.58 0.05 0.00 0.00 0.00 93 L H H 43.06 12.08 15.42 28.42 91.92 50.64 -64.41 -41.27 0.29 0.00 99.71 0.06 0.02 0.15 99.73 0.04 0.00 0.00 0.00 94 E H H 105.60 2.89 19.71 22.45 91.53 50.79 -63.37 -40.68 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 95 A H H 55.43 2.37 18.90 20.69 91.63 50.62 -64.12 -40.91 0.33 0.00 99.67 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 96 L H H 49.91 8.53 15.06 25.13 91.99 50.20 -64.81 -41.31 0.45 0.00 99.55 0.07 0.03 0.26 99.55 0.09 0.00 0.00 0.00 97 K H H 95.22 5.95 15.81 22.73 91.65 51.85 -63.19 -40.77 0.88 0.00 99.12 0.15 0.06 0.52 99.07 0.19 0.00 0.00 0.00 98 A H H 60.89 1.71 15.68 16.88 91.67 51.19 -64.02 -39.81 2.89 0.01 97.10 0.42 0.22 2.02 96.66 0.67 0.00 0.00 0.00 99 Q H H 105.01 3.05 13.55 17.46 92.40 51.19 -66.54 -37.07 8.30 0.02 91.68 0.87 0.55 6.40 90.97 1.20 0.01 0.01 0.01 100 L H H 83.76 7.33 9.98 18.44 93.23 53.27 -70.00 -29.89 20.67 0.13 79.20 3.96 2.13 14.35 77.97 1.45 0.02 0.05 0.08 101 K C H 153.43 1.54 11.39 13.60 96.04 57.00 -77.43 -16.81 51.08 0.60 48.31 23.20 1.52 24.61 48.75 1.32 0.00 0.21 0.39 102 E C C 134.73 2.54 11.25 15.22 105.52 85.40 -80.08 88.08 99.93 0.03 0.04 99.73 0.11 0.11 0.02 0.00 0.00 0.01 0.00