# 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 S C C 71.15 6.02 15.79 22.81 109.96 -164.47 -95.44 86.72 99.69 0.24 0.07 99.30 0.27 0.22 0.02 0.01 0.00 0.13 0.05 1 G C C 44.66 6.36 12.82 20.53 113.22 -112.45 85.90 -50.10 92.94 3.57 3.49 79.85 4.17 9.13 1.01 2.12 0.00 2.07 1.66 2 R C C 158.30 4.05 13.00 18.53 107.56 -60.57 -89.22 82.81 86.18 7.13 6.69 45.73 18.50 22.50 1.50 5.09 0.00 3.96 2.72 3 G C C 40.05 8.01 11.76 20.74 112.79 27.91 75.98 157.67 87.10 5.77 7.13 44.61 20.94 21.85 1.38 5.84 0.00 3.07 2.31 4 K C C 145.45 3.46 14.34 19.16 106.43 -83.89 -89.69 89.02 84.62 6.73 8.65 43.73 18.63 22.63 1.87 6.71 0.01 3.56 2.85 5 G C C 48.59 5.26 13.64 20.23 108.78 12.17 80.29 1.70 86.98 5.04 7.99 38.10 21.84 27.58 1.58 6.21 0.01 2.56 2.12 6 G C C 39.47 8.39 12.27 21.54 115.10 -62.39 77.26 172.41 85.97 5.52 8.51 46.52 21.17 18.26 1.83 6.86 0.00 2.81 2.54 7 K C C 145.45 3.30 14.71 19.35 108.72 -96.21 -91.56 88.24 81.95 7.90 10.15 42.44 19.39 20.70 2.56 7.34 0.02 4.13 3.42 8 G C C 43.69 6.69 13.10 20.86 111.92 -80.03 69.50 2.73 83.98 6.26 9.75 41.08 20.94 22.54 2.39 7.10 0.01 3.29 2.65 9 L C C 98.59 7.89 12.50 21.23 107.15 -58.55 -87.96 49.00 82.15 7.23 10.61 37.43 20.98 24.76 3.39 6.57 0.02 3.75 3.10 10 G C C 42.76 5.54 13.11 19.99 114.81 3.02 71.77 -164.03 84.85 5.19 9.96 36.83 25.09 23.84 3.56 5.73 0.01 2.55 2.38 11 K C C 151.81 2.63 13.44 17.28 106.48 -58.95 -81.00 89.80 76.99 4.05 18.96 30.52 21.55 26.03 9.88 7.99 0.04 1.91 2.08 12 G C T 50.75 3.54 13.51 18.13 105.29 14.30 54.62 -19.70 74.42 2.08 23.51 23.18 20.07 32.29 13.92 8.35 0.04 0.96 1.19 13 G C C 39.64 6.51 13.10 20.81 107.55 -5.10 1.11 -44.66 61.88 1.71 36.42 27.79 16.56 19.03 25.32 9.54 0.05 0.73 0.98 14 A H H 53.07 8.82 11.94 21.78 106.83 52.68 -78.74 107.09 44.92 2.28 52.80 25.61 10.23 11.16 41.83 9.04 0.06 1.19 0.90 15 K H H 127.09 4.01 14.83 20.02 105.48 50.72 -79.34 49.54 36.19 3.03 60.78 23.23 6.84 8.38 50.73 7.98 0.04 1.87 0.92 16 R H H 132.38 5.27 14.89 21.37 103.28 51.57 -76.19 -18.54 29.52 2.71 67.77 19.89 5.26 6.70 59.45 6.17 0.03 1.78 0.72 17 H H H 79.94 11.64 13.53 25.60 101.10 55.64 -79.51 -15.68 25.23 1.85 72.92 17.95 3.93 5.43 66.59 4.41 0.02 1.18 0.49 18 R H H 114.91 9.42 15.28 25.32 100.81 54.16 -70.63 -33.57 15.28 1.10 83.62 10.42 2.40 3.77 78.78 3.61 0.01 0.76 0.24 19 K H H 118.07 4.52 17.58 22.77 98.46 51.20 -73.40 -32.83 11.64 1.36 87.00 7.12 1.86 3.65 82.07 3.95 0.02 1.08 0.25 20 V H H 57.37 9.58 15.78 26.42 101.06 50.55 -75.47 -34.48 10.78 1.67 87.55 6.23 1.69 3.66 82.57 4.12 0.03 1.44 0.26 21 L H H 48.14 14.48 13.89 28.47 98.42 51.53 -73.01 -32.11 12.91 1.52 85.58 7.30 2.12 4.57 79.76 4.69 0.03 1.22 0.31 22 R H H 119.71 8.67 16.44 25.69 97.94 54.66 -72.99 -31.72 17.30 1.09 81.61 7.51 2.95 7.96 74.62 5.83 0.06 0.76 0.31 23 D H H 92.98 4.68 17.32 22.82 98.62 54.99 -78.16 -20.79 27.37 0.73 71.89 7.53 4.41 16.13 64.15 6.93 0.12 0.43 0.30 24 N H H 78.12 9.17 16.89 26.42 101.80 44.20 -93.59 16.06 42.42 0.94 56.64 13.09 6.35 23.92 47.94 7.65 0.09 0.50 0.46 25 I C H 36.88 19.46 11.64 29.74 102.08 96.84 -89.58 12.61 55.31 4.27 40.43 27.82 8.46 20.49 29.55 9.23 0.13 2.27 2.06 26 Q C T 120.66 4.54 17.46 23.54 106.60 121.33 -74.32 108.64 78.44 2.44 19.13 11.67 7.39 58.27 14.53 5.51 0.08 1.41 1.14 27 G C T 48.96 4.77 19.17 24.41 98.86 23.43 83.01 -2.37 90.09 1.15 8.76 12.12 11.36 67.00 4.10 4.22 0.01 0.73 0.46 28 I C C 24.73 21.31 10.19 30.57 115.43 113.72 -90.53 127.43 93.96 4.61 1.43 78.05 14.58 0.98 1.03 0.44 0.00 1.71 3.21 29 T C C 67.28 4.32 22.28 26.24 123.26 -146.12 -90.00 160.05 95.96 2.74 1.30 93.87 1.86 0.34 1.18 0.14 0.00 0.84 1.78 30 K H H 101.86 12.21 14.83 27.13 92.57 -104.46 -58.64 -40.08 2.45 0.01 97.54 0.62 0.44 1.17 97.43 0.32 0.00 0.00 0.00 31 P H H 76.45 2.71 20.54 22.68 91.60 52.66 -63.41 -39.47 1.38 0.01 98.61 0.27 0.13 0.83 98.37 0.40 0.00 0.00 0.00 32 A H H 25.38 9.63 17.96 29.34 91.99 50.60 -64.76 -40.94 0.53 0.01 99.47 0.13 0.05 0.27 99.18 0.35 0.00 0.00 0.00 33 I H H 12.74 20.96 14.97 35.91 92.00 50.05 -64.54 -42.24 0.39 0.01 99.60 0.10 0.05 0.19 99.51 0.14 0.00 0.00 0.00 34 R H H 110.48 7.84 20.53 28.82 91.54 50.94 -63.40 -41.18 0.75 0.02 99.23 0.20 0.08 0.39 99.22 0.10 0.00 0.01 0.00 35 R H H 123.45 2.77 22.09 24.04 91.95 50.22 -64.61 -41.90 1.09 0.03 98.87 0.25 0.13 0.63 98.80 0.16 0.00 0.02 0.01 36 L H H 32.15 12.50 17.17 30.87 92.28 50.06 -64.98 -41.57 1.79 0.08 98.13 0.45 0.25 1.05 97.79 0.39 0.01 0.04 0.02 37 A H H 21.85 14.93 13.78 29.26 92.23 51.87 -64.42 -39.17 4.44 0.10 95.46 0.94 0.40 2.96 94.65 0.96 0.01 0.06 0.02 38 R H H 162.87 2.22 17.32 20.02 92.38 51.42 -66.51 -34.69 11.93 0.14 87.93 1.32 0.98 9.54 86.58 1.40 0.05 0.07 0.05 39 R H H 156.48 2.47 15.09 18.22 95.45 53.56 -76.92 -17.13 35.73 0.27 64.00 2.06 3.29 30.17 61.98 2.11 0.11 0.12 0.16 40 G C T 42.68 7.20 13.17 21.33 99.99 38.54 -86.09 -2.69 71.40 0.23 28.36 3.20 7.61 58.85 27.76 2.28 0.02 0.09 0.18 41 G C T 49.91 3.48 16.05 20.32 100.20 -112.46 82.03 10.16 96.69 0.68 2.63 32.72 16.47 47.87 1.06 1.26 0.00 0.38 0.23 42 V C C 45.53 15.74 8.99 24.08 114.19 133.37 -88.02 127.83 89.29 7.70 3.01 81.95 5.31 2.11 1.28 1.56 0.00 5.55 2.23 43 K C C 154.85 1.96 17.80 20.02 101.25 -170.22 -89.80 -24.40 85.75 10.88 3.37 58.67 22.25 5.14 1.10 2.23 0.01 9.35 1.25 44 R C C 144.54 3.74 18.27 23.01 125.37 15.71 -130.73 138.94 59.77 35.95 4.27 45.91 9.56 4.51 1.71 2.64 0.02 32.85 2.81 45 I C C 44.62 19.07 9.94 27.60 118.67 -164.30 -115.03 125.55 49.73 47.57 2.69 43.92 3.32 0.95 2.14 1.00 0.00 39.19 9.46 46 S C C 59.53 4.16 17.44 22.28 124.26 -153.29 -101.64 164.03 76.98 20.14 2.88 71.05 3.90 1.42 2.25 0.76 0.00 18.91 1.70 47 G H H 47.48 3.54 16.69 20.69 102.82 -11.95 34.61 -74.12 32.78 0.86 66.36 5.81 10.02 18.74 59.47 4.89 0.26 0.43 0.37 48 L H H 100.32 3.52 16.39 20.44 94.03 29.29 -68.51 -35.00 19.09 0.41 80.51 3.38 3.25 13.15 74.64 5.02 0.16 0.23 0.17 49 I H H 45.53 11.71 15.16 27.88 92.36 53.35 -65.12 -40.81 10.64 0.51 88.86 3.88 1.83 5.86 83.00 4.86 0.07 0.35 0.14 50 Y H H 60.16 14.58 15.00 29.71 91.87 52.16 -63.49 -41.79 3.72 0.20 96.08 1.75 0.60 1.68 94.02 1.75 0.01 0.15 0.03 51 E H H 117.65 2.88 20.34 23.20 91.78 49.61 -64.80 -40.69 2.88 0.11 97.01 0.91 0.36 1.62 95.60 1.40 0.01 0.09 0.02 52 E H H 100.84 4.48 20.60 25.20 92.52 47.29 -66.56 -40.93 4.88 0.07 95.05 0.76 0.45 3.48 93.84 1.39 0.01 0.04 0.02 53 T H H 17.87 17.99 16.58 34.48 93.23 46.79 -68.26 -40.25 8.88 0.06 91.06 1.23 0.82 6.48 90.46 0.93 0.01 0.03 0.03 54 R H H 85.04 13.89 19.01 32.36 91.93 53.29 -62.33 -41.46 3.75 0.02 96.23 0.85 0.36 2.35 96.01 0.42 0.00 0.01 0.01 55 G H H 33.88 3.36 22.52 25.52 91.51 51.01 -63.36 -41.78 2.87 0.01 97.12 0.41 0.21 2.09 96.79 0.49 0.00 0.00 0.00 56 V H H 50.43 8.77 21.46 30.94 91.81 49.40 -65.12 -42.32 0.57 0.00 99.42 0.11 0.04 0.33 99.32 0.19 0.00 0.00 0.00 57 L H H 19.21 19.51 17.73 37.22 91.78 50.64 -64.28 -42.42 0.13 0.00 99.87 0.03 0.01 0.06 99.86 0.05 0.00 0.00 0.00 58 K H H 93.94 9.22 21.28 30.69 91.62 51.87 -63.23 -41.35 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 59 V H H 74.45 3.48 23.12 25.99 91.56 49.87 -64.03 -42.61 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 60 F H H 55.64 12.35 20.67 33.24 91.89 48.93 -64.59 -42.38 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 61 L H H 24.57 18.37 18.08 36.46 91.78 49.81 -64.71 -41.79 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 62 E H H 92.61 6.46 21.84 28.64 91.55 51.29 -64.13 -41.22 0.22 0.00 99.78 0.01 0.01 0.16 99.80 0.03 0.00 0.00 0.00 63 N H H 75.11 4.78 22.82 27.54 92.32 48.40 -66.13 -40.41 0.93 0.00 99.07 0.04 0.03 0.74 99.13 0.05 0.00 0.00 0.00 64 V H H 24.65 15.84 19.48 35.58 92.58 47.74 -65.90 -43.09 1.59 0.00 98.40 0.14 0.09 1.14 98.54 0.09 0.00 0.00 0.00 65 I H H 37.41 15.62 19.62 35.12 91.94 50.02 -64.12 -42.47 1.01 0.01 98.98 0.24 0.10 0.55 98.91 0.20 0.00 0.00 0.00 66 R H H 129.74 3.32 24.07 27.13 91.51 50.27 -63.49 -41.75 1.08 0.01 98.91 0.25 0.10 0.63 98.75 0.26 0.00 0.01 0.00 67 D H H 60.29 6.85 22.77 29.98 91.84 48.57 -65.76 -40.68 1.70 0.02 98.29 0.39 0.16 1.03 98.08 0.32 0.00 0.01 0.00 68 A H H 11.59 18.10 17.57 36.19 91.98 51.26 -63.86 -41.92 2.00 0.04 97.96 0.50 0.22 1.16 97.67 0.41 0.00 0.02 0.01 69 V H H 53.45 9.32 20.90 30.84 91.58 50.22 -64.11 -42.14 2.86 0.12 97.02 0.79 0.37 1.60 96.66 0.47 0.01 0.08 0.02 70 T H H 70.50 2.65 23.09 24.55 91.63 49.63 -64.30 -42.36 4.38 0.22 95.40 1.35 0.58 2.39 94.86 0.61 0.02 0.15 0.04 71 Y H H 63.48 10.31 18.58 29.87 92.47 48.59 -65.95 -41.27 5.54 0.34 94.13 1.80 0.86 3.04 92.81 1.15 0.03 0.23 0.07 72 T H H 21.21 14.70 13.92 29.52 92.16 51.26 -65.20 -39.47 7.85 0.31 91.84 2.94 1.08 3.90 90.20 1.59 0.02 0.19 0.07 73 E H H 121.34 2.71 18.02 20.99 92.41 51.55 -64.83 -39.35 12.53 0.18 87.28 2.56 1.39 8.22 85.88 1.75 0.03 0.10 0.06 74 H H H 130.22 2.25 16.19 18.36 93.35 48.43 -72.15 -28.95 22.33 0.22 77.45 3.20 2.84 16.07 76.00 1.63 0.05 0.09 0.11 75 A C H 40.30 11.24 9.95 21.72 98.44 60.69 -83.13 -5.58 62.70 0.65 36.65 14.10 11.75 35.13 36.36 2.01 0.03 0.23 0.39 76 K C T 174.54 0.86 15.84 15.65 96.01 -128.54 50.83 23.69 88.89 0.41 10.71 20.63 12.63 55.41 8.83 2.08 0.00 0.17 0.24 77 R C C 105.88 7.59 10.96 20.14 124.94 109.09 -110.92 148.07 91.08 1.15 7.76 55.14 20.84 15.14 4.79 2.87 0.00 0.49 0.72 78 K C S 156.15 2.80 15.20 19.16 97.16 -145.52 -82.83 -13.69 94.56 1.81 3.63 35.89 50.61 8.28 2.07 1.52 0.00 1.11 0.51 79 T C C 80.10 4.37 19.01 24.26 127.45 42.71 -127.82 144.02 74.73 21.50 3.77 47.28 22.95 5.11 2.31 1.81 0.01 17.12 3.41 80 V C C 21.70 21.08 11.66 32.24 117.58 -153.69 -108.14 130.40 68.20 29.97 1.82 62.35 5.21 0.45 1.75 0.39 0.00 22.58 7.27 81 T C C 55.40 5.82 24.08 29.81 125.87 -151.44 -96.67 163.79 79.33 19.30 1.38 79.20 1.38 0.23 1.38 0.16 0.00 14.91 2.73 82 A H H 36.65 16.35 15.72 32.03 90.97 -103.43 -57.98 -38.90 2.41 0.01 97.58 0.47 0.34 1.42 97.30 0.46 0.00 0.00 0.00 83 M H H 98.72 5.38 22.50 27.98 91.45 54.71 -63.42 -40.09 0.89 0.00 99.11 0.13 0.07 0.59 98.86 0.35 0.00 0.00 0.00 84 D H H 37.68 12.43 21.00 33.80 91.86 50.24 -65.24 -40.41 0.28 0.00 99.72 0.06 0.02 0.16 99.47 0.29 0.00 0.00 0.00 85 V H H 7.45 22.99 18.45 41.34 91.76 49.56 -64.28 -43.51 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 86 V H H 40.53 11.80 22.05 34.24 91.65 49.96 -63.31 -43.22 0.11 0.00 99.89 0.01 0.01 0.07 99.87 0.04 0.00 0.00 0.00 87 Y H H 95.45 4.49 24.30 28.83 91.47 49.02 -63.82 -42.36 0.18 0.00 99.82 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 88 A H H 9.98 14.40 18.18 34.21 91.50 50.64 -63.03 -42.94 0.40 0.00 99.60 0.04 0.02 0.27 99.53 0.13 0.00 0.00 0.00 89 L H H 21.68 16.75 16.08 33.37 91.91 49.75 -64.18 -41.53 1.20 0.01 98.79 0.18 0.09 0.80 98.55 0.37 0.00 0.00 0.00 90 K H H 127.01 4.02 18.01 23.02 91.86 50.24 -64.62 -39.78 3.22 0.01 96.77 0.39 0.21 2.36 96.20 0.83 0.00 0.01 0.00 91 R H H 149.11 3.22 16.44 20.60 92.47 50.85 -68.19 -32.20 10.90 0.04 89.05 0.74 0.69 9.19 88.35 0.97 0.02 0.02 0.02 92 Q C H 87.83 8.46 13.23 22.70 95.57 47.90 -87.33 -5.21 51.12 0.18 48.71 2.47 3.89 42.81 49.30 1.32 0.03 0.06 0.12 93 G C T 55.90 2.53 15.76 18.93 97.65 -114.00 78.96 13.38 96.93 0.30 2.76 20.16 8.95 68.22 1.69 0.72 0.00 0.15 0.11 94 R C C 109.21 8.55 12.72 22.59 121.99 129.66 -103.20 144.66 94.79 2.40 2.81 82.56 9.79 2.42 1.52 1.17 0.00 1.17 1.37 95 T C C 74.97 6.82 15.75 23.78 119.17 -136.70 -95.79 141.59 91.80 5.08 3.12 85.31 4.14 2.27 1.44 1.38 0.00 2.67 2.79 96 L C C 71.21 13.66 12.68 26.04 104.26 -131.85 -81.54 7.87 82.65 7.13 10.22 36.55 24.06 22.98 2.73 6.72 0.04 3.30 3.61 97 Y C T 132.18 7.63 14.24 22.58 107.05 46.10 -88.02 84.33 84.66 5.18 10.16 16.56 24.82 43.48 2.56 7.21 0.04 2.78 2.54 98 G C T 52.32 3.95 13.94 19.07 103.18 -18.52 81.75 -0.81 88.06 3.53 8.41 31.86 24.49 32.07 1.53 6.68 0.01 1.74 1.62 99 F C C 117.59 7.45 10.02 18.63 107.62 110.16 -93.49 62.48 89.17 5.65 5.18 54.90 15.73 18.60 1.47 3.44 0.00 2.68 3.18 100 G C C 52.55 3.58 12.36 17.53 109.06 -22.95 90.21 8.78 95.26 2.82 1.92 75.11 5.37 14.96 0.50 1.18 0.00 1.73 1.16 101 G C C 48.39 4.82 13.81 20.18 112.75 -54.36 90.79 -165.87 99.79 0.18 0.03 99.24 0.43 0.18 0.01 0.01 0.00 0.10 0.04