# 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 R C C 145.31 5.20 13.12 19.88 116.28 -165.54 -96.18 134.43 99.81 0.09 0.10 99.73 0.09 0.07 0.06 0.00 0.00 0.04 0.01 1 K C C 131.89 4.41 12.26 18.32 112.13 -136.90 -85.29 132.61 70.64 5.45 23.91 66.07 1.28 4.12 19.99 3.35 0.00 3.45 1.74 2 V C C 76.17 7.88 10.63 19.76 112.45 -145.47 -88.28 130.04 58.21 7.45 34.34 44.66 6.94 6.45 27.41 7.32 0.02 5.38 1.83 3 L C C 76.80 9.26 11.35 21.48 104.91 -124.19 -79.44 22.96 49.65 7.05 43.29 36.12 6.84 6.84 31.52 11.81 0.02 5.25 1.59 4 R H H 131.65 6.83 13.25 21.18 99.26 69.52 -73.86 -24.92 43.35 4.04 52.61 27.92 7.26 8.56 35.56 16.84 0.04 2.74 1.08 5 D H H 93.72 4.86 14.12 20.15 98.14 62.81 -77.07 -16.65 44.19 1.74 54.07 19.24 8.34 16.06 33.49 21.11 0.06 1.02 0.68 6 N C H 87.77 7.04 14.85 22.81 101.14 56.50 -88.40 7.72 50.91 1.62 47.47 19.06 9.39 22.24 27.20 20.38 0.07 0.89 0.78 7 I C C 45.49 17.06 10.41 26.42 101.45 93.17 -89.91 11.70 61.42 4.32 34.26 33.57 10.42 17.94 17.43 16.10 0.06 2.29 2.19 8 Q C T 124.76 3.96 15.30 21.10 108.93 125.87 -74.17 122.23 85.35 2.39 12.26 14.68 8.17 62.34 7.63 4.61 0.02 1.41 1.13 9 G C T 55.30 2.72 17.76 20.93 98.27 18.85 83.77 -0.69 93.53 1.20 5.28 12.87 12.29 68.73 1.84 3.09 0.00 0.83 0.36 10 I C C 31.54 19.49 9.00 27.37 116.13 119.94 -89.69 131.03 96.05 3.17 0.78 80.85 14.20 0.67 0.52 0.26 0.00 1.17 2.32 11 T C C 70.87 3.23 21.04 23.67 122.87 -142.09 -88.77 161.09 97.29 1.92 0.79 95.63 1.52 0.22 0.69 0.08 0.00 0.53 1.33 12 K H H 110.77 10.23 13.84 24.80 92.31 -105.16 -58.13 -40.13 2.58 0.01 97.41 0.62 0.44 1.24 97.38 0.30 0.00 0.00 0.00 13 P H H 79.96 2.18 19.25 20.63 91.35 52.25 -63.27 -39.60 1.49 0.01 98.50 0.27 0.13 0.91 98.29 0.39 0.00 0.00 0.00 14 A H H 29.59 7.79 17.12 26.86 91.71 50.68 -64.68 -40.81 0.55 0.01 99.44 0.14 0.05 0.27 99.19 0.35 0.00 0.00 0.00 15 I H H 16.18 19.14 14.11 33.39 91.96 50.15 -64.30 -42.32 0.38 0.01 99.61 0.10 0.04 0.18 99.54 0.13 0.00 0.00 0.00 16 R H H 113.59 6.85 19.52 27.10 91.57 50.73 -63.37 -41.39 0.66 0.01 99.33 0.18 0.07 0.31 99.36 0.07 0.00 0.01 0.00 17 R H H 128.75 2.14 21.38 22.26 91.81 49.72 -64.46 -42.15 0.88 0.02 99.10 0.21 0.10 0.46 99.14 0.08 0.00 0.01 0.00 18 L H H 39.96 10.37 17.04 28.93 92.13 49.59 -64.83 -41.84 1.14 0.03 98.82 0.27 0.15 0.62 98.74 0.19 0.00 0.01 0.01 19 A H H 19.48 14.00 13.09 28.12 91.95 51.34 -63.56 -41.13 2.47 0.04 97.49 0.55 0.23 1.52 97.13 0.54 0.01 0.02 0.01 20 R H H 162.46 1.96 16.83 19.10 92.18 49.98 -65.39 -38.55 5.91 0.06 94.03 0.79 0.46 4.41 93.14 1.13 0.02 0.03 0.02 21 R H H 167.21 1.60 15.02 16.69 92.87 51.85 -68.88 -29.80 15.01 0.08 84.90 0.90 1.11 13.06 83.41 1.39 0.05 0.03 0.04 22 G C T 39.99 6.92 11.71 19.97 96.22 50.05 -86.35 -4.30 66.89 0.10 33.02 1.42 3.42 60.46 33.00 1.56 0.02 0.03 0.08 23 G C T 58.29 1.34 16.34 17.03 97.16 -109.23 81.15 11.47 99.26 0.11 0.63 12.36 5.38 81.67 0.25 0.23 0.00 0.07 0.03 24 V C C 47.65 13.74 7.39 21.00 114.17 149.35 -83.40 129.58 95.48 3.83 0.69 93.66 1.66 0.55 0.24 0.31 0.00 2.57 1.01 25 K C C 166.09 1.04 16.34 16.62 99.74 -173.96 -90.78 -21.86 94.57 4.85 0.58 65.88 26.27 2.61 0.12 0.51 0.00 4.02 0.58 26 R C C 155.00 2.50 16.95 20.16 126.46 23.77 -131.84 140.60 67.07 31.99 0.94 53.83 10.42 2.40 0.25 0.80 0.00 29.45 2.84 27 I E C 52.40 17.62 8.76 25.06 119.96 -164.94 -115.34 129.86 48.38 50.78 0.85 44.99 1.97 0.35 0.64 0.35 0.00 38.21 13.50 28 S C C 61.20 3.16 16.55 20.12 123.39 -159.96 -97.65 164.20 83.78 14.99 1.22 80.35 2.61 0.73 0.80 0.36 0.00 13.88 1.26 29 G H H 49.75 2.93 15.10 18.70 98.38 -30.10 0.44 -50.63 29.85 0.44 69.72 4.50 8.35 18.20 63.79 4.59 0.17 0.19 0.23 30 L H H 105.10 2.46 15.28 17.89 93.50 38.11 -67.03 -37.09 16.44 0.18 83.38 2.80 2.49 11.50 78.29 4.66 0.08 0.09 0.09 31 I H H 56.31 8.90 14.14 24.52 92.60 52.54 -64.94 -41.49 7.63 0.15 92.21 2.60 1.21 4.28 87.71 4.04 0.03 0.09 0.05 32 Y H H 72.24 11.70 14.21 26.71 91.96 51.95 -63.47 -42.03 2.18 0.03 97.78 0.86 0.30 1.03 96.76 1.03 0.00 0.02 0.01 33 E H H 116.38 2.45 19.03 21.31 92.06 50.03 -64.61 -41.14 1.43 0.01 98.56 0.35 0.15 0.82 98.05 0.62 0.00 0.00 0.00 34 E H H 104.35 3.30 19.32 22.60 92.50 48.21 -65.81 -41.27 2.46 0.01 97.53 0.30 0.20 1.78 97.07 0.64 0.00 0.00 0.00 35 T H H 28.95 13.81 16.20 30.65 92.91 48.01 -67.03 -40.83 4.34 0.01 95.65 0.47 0.34 3.23 95.48 0.48 0.00 0.00 0.00 36 R H H 94.91 10.66 18.14 29.02 91.75 52.66 -63.13 -41.26 1.81 0.00 98.19 0.26 0.13 1.21 98.18 0.22 0.00 0.00 0.00 37 G H H 34.74 2.92 20.44 23.04 91.70 50.80 -63.65 -41.49 2.05 0.00 97.95 0.21 0.11 1.53 97.88 0.26 0.00 0.00 0.00 38 V H H 63.82 5.64 19.93 26.34 91.83 49.73 -64.61 -41.88 0.46 0.00 99.54 0.07 0.03 0.28 99.51 0.11 0.00 0.00 0.00 39 L H H 35.80 14.35 16.62 31.55 91.89 50.60 -64.22 -41.88 0.11 0.00 99.89 0.02 0.00 0.06 99.88 0.04 0.00 0.00 0.00 40 K H H 101.87 6.67 19.44 26.72 91.82 51.69 -63.68 -41.15 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 41 V H H 79.88 2.59 20.77 22.51 91.71 49.89 -64.06 -42.51 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 42 F H H 80.16 8.17 19.25 28.23 91.88 48.88 -64.65 -42.23 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 43 L H H 40.77 13.69 16.92 31.15 92.02 50.15 -64.71 -41.16 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 44 E H H 96.77 4.59 20.25 25.23 91.77 50.97 -63.94 -41.25 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 45 N H H 77.93 3.63 20.90 24.39 92.02 49.41 -65.75 -40.65 0.30 0.00 99.70 0.02 0.01 0.21 99.74 0.02 0.00 0.00 0.00 46 V H H 36.97 12.04 18.17 31.06 92.23 49.60 -64.58 -42.68 0.43 0.00 99.57 0.05 0.02 0.27 99.63 0.03 0.00 0.00 0.00 47 I H H 58.23 10.87 18.71 30.17 91.72 50.40 -63.83 -42.44 0.34 0.00 99.66 0.06 0.02 0.18 99.66 0.07 0.00 0.00 0.00 48 R H H 136.30 2.36 22.54 23.99 91.64 49.89 -63.88 -41.81 0.40 0.00 99.59 0.06 0.02 0.25 99.58 0.09 0.00 0.00 0.00 49 D H H 64.45 5.56 20.89 26.90 92.00 48.63 -65.31 -40.82 0.81 0.00 99.19 0.10 0.05 0.55 99.17 0.13 0.00 0.00 0.00 50 A H H 17.74 14.54 16.27 31.80 91.96 51.08 -63.95 -41.88 1.21 0.01 98.79 0.19 0.09 0.78 98.73 0.21 0.00 0.00 0.00 51 V H H 64.33 6.30 19.74 26.84 91.89 50.01 -64.36 -41.44 2.13 0.03 97.84 0.40 0.23 1.32 97.72 0.31 0.00 0.01 0.01 52 T H H 72.66 2.21 21.32 22.14 91.87 49.68 -64.50 -42.07 3.79 0.07 96.14 0.90 0.48 2.25 95.79 0.51 0.01 0.04 0.02 53 Y H H 75.97 8.18 17.04 26.52 92.33 48.91 -65.97 -40.93 5.00 0.14 94.86 1.34 0.75 2.97 93.65 1.15 0.02 0.08 0.04 54 T H H 30.54 11.81 13.01 26.18 92.18 51.93 -66.27 -38.87 7.45 0.15 92.40 2.31 0.99 4.08 90.71 1.76 0.02 0.08 0.04 55 E H H 127.94 2.00 16.79 18.69 92.43 52.37 -65.99 -38.34 13.37 0.10 86.53 1.97 1.39 9.68 84.96 1.89 0.03 0.05 0.04 56 H H H 138.49 1.58 14.74 16.04 94.19 47.80 -74.97 -25.34 24.40 0.15 75.45 2.88 3.06 18.31 73.92 1.64 0.04 0.06 0.09 57 A C H 45.49 9.52 8.74 19.13 101.15 62.30 -83.53 -3.41 65.00 0.58 34.42 17.81 14.92 30.90 33.81 1.97 0.02 0.18 0.39 58 K C T 178.13 0.63 14.55 13.82 96.22 -130.57 40.29 16.69 92.07 0.37 7.57 25.72 16.25 50.23 5.52 1.89 0.00 0.15 0.23 59 R C C 117.97 5.58 10.04 17.58 124.34 104.28 -110.58 147.35 93.21 0.97 5.81 57.91 22.58 12.81 3.17 2.46 0.00 0.39 0.68 60 K C S 161.35 2.08 13.79 16.95 96.96 -146.63 -82.36 -16.85 96.76 1.19 2.04 27.69 62.05 7.35 0.85 0.99 0.00 0.72 0.34 61 T C C 86.16 3.19 17.40 21.39 128.19 41.27 -131.56 144.82 73.65 23.93 2.42 42.75 27.08 5.08 1.13 1.46 0.01 18.69 3.81 62 V C C 31.70 18.40 10.21 28.07 119.65 -155.20 -112.03 130.09 67.42 31.83 0.75 61.79 5.47 0.27 0.70 0.21 0.00 23.92 7.63 63 T C C 62.59 4.24 21.54 25.51 124.58 -147.27 -91.89 163.20 81.47 18.00 0.53 81.94 1.07 0.12 0.50 0.07 0.00 14.16 2.14 64 A H H 53.31 11.52 14.09 26.28 91.20 -104.68 -58.15 -39.32 1.88 0.01 98.11 0.29 0.24 1.16 97.92 0.38 0.00 0.00 0.00 65 M H H 111.67 2.96 20.09 22.86 91.47 54.26 -63.90 -40.15 0.60 0.00 99.40 0.07 0.04 0.41 99.20 0.28 0.00 0.00 0.00 66 D H H 44.15 10.27 18.43 29.70 91.89 50.36 -65.44 -40.36 0.19 0.00 99.81 0.03 0.01 0.12 99.58 0.25 0.00 0.00 0.00 67 V H H 15.87 19.12 16.37 35.47 91.82 49.86 -64.25 -43.28 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 68 V H H 56.21 7.56 20.35 28.80 91.40 49.92 -63.48 -42.75 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 69 Y H H 106.58 3.23 22.26 24.93 91.53 49.00 -64.01 -42.20 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 70 A H H 14.02 12.18 16.44 30.62 91.32 50.92 -63.09 -42.68 0.57 0.00 99.42 0.06 0.03 0.39 99.33 0.19 0.00 0.00 0.00 71 L H H 33.09 13.22 14.90 29.21 92.06 49.80 -64.33 -41.13 1.82 0.01 98.17 0.27 0.15 1.21 97.76 0.60 0.00 0.00 0.00 72 K H H 134.05 2.56 16.82 19.95 91.89 50.44 -64.88 -39.53 4.80 0.02 95.17 0.63 0.35 3.44 94.23 1.33 0.01 0.01 0.01 73 R H H 153.19 2.59 14.97 18.28 92.73 50.85 -68.69 -31.93 13.72 0.05 86.23 1.10 0.96 11.24 85.21 1.41 0.02 0.02 0.02 74 Q C T 95.81 6.71 11.98 19.99 96.29 49.76 -87.00 -6.18 55.62 0.18 44.19 2.81 4.26 46.49 44.53 1.70 0.03 0.06 0.13 75 G C T 57.79 2.14 13.85 16.63 98.16 -112.42 77.41 12.72 96.04 0.24 3.72 18.19 8.91 69.27 2.56 0.85 0.00 0.12 0.10 76 R C C 128.03 5.56 11.22 18.67 119.90 129.62 -101.07 140.87 94.64 2.18 3.18 82.50 9.36 2.74 1.84 1.23 0.00 1.06 1.27 77 T C C 84.96 5.11 12.52 19.29 116.72 -137.40 -95.49 139.10 92.61 4.08 3.32 86.84 3.74 2.23 1.47 1.43 0.00 2.18 2.11 78 L C C 95.57 8.36 10.77 20.17 101.48 -144.47 -80.56 -14.71 86.43 4.42 9.15 38.64 25.67 22.87 2.18 6.42 0.01 2.16 2.05 79 Y C T 151.61 4.25 11.39 17.11 111.15 48.19 -96.68 110.10 87.11 4.55 8.34 19.92 28.62 39.16 1.87 6.06 0.02 2.50 1.86 80 G C C 53.69 3.16 10.87 15.54 109.88 -42.67 83.51 53.32 91.47 3.29 5.24 45.87 20.57 25.00 0.87 4.52 0.00 1.77 1.39 81 F C C 143.05 4.28 9.06 15.07 109.03 105.82 -94.47 93.68 95.65 2.61 1.74 87.07 2.91 5.94 0.55 0.81 0.00 1.34 1.38 82 G C C 52.99 3.09 13.16 17.63 108.49 -48.21 86.49 -1.49 99.91 0.08 0.01 99.67 0.18 0.09 0.00 0.00 0.00 0.04 0.01