# 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 K C C 126.50 5.90 15.26 22.58 115.48 -146.63 -89.82 133.30 99.84 0.09 0.07 99.71 0.13 0.06 0.04 0.00 0.00 0.04 0.02 1 T C C 68.40 7.67 12.79 21.75 120.19 -139.44 -91.61 150.06 74.67 2.87 22.46 69.22 1.76 4.73 17.67 3.68 0.00 1.41 1.53 2 R C H 127.28 7.59 13.54 22.25 96.11 -120.61 -69.15 -26.33 49.19 3.83 46.98 27.16 10.65 13.09 32.55 12.76 0.13 2.16 1.50 3 S H H 44.20 11.64 12.27 24.32 96.56 64.48 -73.07 -29.23 45.64 5.04 49.31 24.92 9.25 12.72 33.70 14.44 0.14 3.18 1.64 4 S H H 63.28 6.73 14.50 22.30 95.59 63.14 -71.70 -27.55 45.30 5.41 49.29 26.24 9.05 11.32 34.36 13.76 0.10 3.47 1.71 5 R C H 138.87 5.70 15.38 22.22 94.88 62.92 -73.99 -19.59 49.41 5.74 44.86 20.12 12.57 19.02 31.51 10.77 0.40 3.30 2.31 6 A C T 40.65 12.97 13.88 27.02 96.90 55.13 -84.95 -1.29 71.14 1.84 27.01 11.45 13.31 45.58 18.22 9.23 0.10 1.00 1.10 7 G C T 46.54 4.87 19.70 25.08 98.30 -107.64 82.72 7.47 89.72 1.83 8.46 20.54 17.27 52.51 3.49 4.38 0.01 1.12 0.68 8 L C C 29.58 19.50 12.11 31.07 115.18 128.88 -92.21 130.78 83.60 11.85 4.54 67.50 9.89 5.64 2.05 2.54 0.00 7.68 4.70 9 Q C C 111.61 5.89 21.71 28.20 112.83 -160.11 -102.41 115.24 81.84 15.22 2.94 59.88 18.05 3.63 1.86 1.33 0.01 9.82 5.42 10 F C C 32.32 20.23 14.19 33.79 119.98 -165.67 -108.29 131.48 90.37 8.63 1.00 62.09 28.28 0.89 0.91 0.27 0.00 5.80 1.77 11 P C C 54.13 7.44 23.07 31.00 111.42 -110.89 -67.05 140.17 91.65 6.21 2.14 89.56 1.75 0.79 1.88 0.32 0.00 3.77 1.93 12 V H H 42.47 19.06 15.30 33.42 93.52 -125.27 -60.36 -37.80 11.39 0.14 88.47 3.53 1.82 6.37 86.24 1.88 0.03 0.07 0.06 13 G H H 33.78 5.43 21.18 27.19 92.33 55.82 -61.83 -39.97 6.17 0.07 93.76 1.27 0.78 4.16 92.03 1.68 0.02 0.04 0.02 14 R H H 98.84 7.83 22.15 30.14 92.23 50.67 -66.96 -39.08 2.29 0.07 97.64 0.89 0.35 1.14 96.24 1.32 0.01 0.05 0.01 15 V H H 4.04 24.52 16.28 41.07 91.63 51.48 -63.55 -43.75 0.98 0.03 98.99 0.35 0.13 0.48 98.59 0.41 0.00 0.02 0.00 16 H H H 60.58 13.37 20.80 34.00 91.52 51.05 -62.50 -42.03 0.85 0.02 99.13 0.24 0.10 0.46 98.87 0.31 0.00 0.01 0.00 17 R H H 122.65 2.50 23.99 25.26 91.59 50.47 -63.95 -42.39 1.07 0.03 98.91 0.21 0.12 0.68 98.63 0.34 0.01 0.01 0.00 18 L H H 22.22 13.31 17.75 32.45 91.81 49.73 -64.28 -41.86 1.50 0.04 98.46 0.34 0.18 0.94 98.01 0.49 0.01 0.02 0.01 19 L H H 19.09 20.55 13.70 33.85 92.12 50.78 -65.46 -39.05 3.05 0.06 96.88 0.59 0.30 2.14 95.81 1.09 0.02 0.04 0.01 20 R H H 153.44 3.87 17.90 22.86 91.79 52.03 -67.04 -32.60 10.25 0.07 89.68 0.68 0.70 8.93 88.56 1.03 0.04 0.03 0.03 21 K C T 141.48 1.82 17.44 18.66 95.19 47.77 -87.71 -7.01 55.48 0.14 44.38 1.26 3.24 49.41 44.43 1.45 0.04 0.05 0.11 22 G C T 37.93 8.56 14.11 23.59 106.75 -104.97 86.30 17.79 96.62 0.26 3.12 8.02 13.91 74.87 2.17 0.77 0.00 0.12 0.14 23 N C C 76.40 5.58 17.48 24.07 104.25 130.60 -98.92 77.67 92.47 0.84 6.69 78.10 8.38 6.05 4.70 1.78 0.00 0.36 0.64 24 Y H H 38.54 20.01 11.26 30.61 94.69 153.93 -69.12 -28.51 30.26 0.91 68.83 14.28 5.79 11.34 50.48 17.11 0.08 0.45 0.46 25 S H H 61.29 8.73 15.31 25.08 91.69 66.90 -64.05 -29.24 18.41 0.36 81.23 3.64 2.65 11.03 60.50 21.71 0.11 0.21 0.15 26 E H H 145.19 1.38 18.90 19.18 93.82 51.85 -75.16 -27.72 16.12 0.39 83.49 2.56 2.31 10.26 63.24 21.10 0.15 0.23 0.15 27 R H H 105.40 10.08 16.08 26.45 100.33 42.66 -89.44 -29.73 23.79 0.70 75.51 3.91 4.88 15.73 63.24 11.11 0.41 0.34 0.38 28 V H H 36.27 17.74 12.39 29.12 106.95 34.28 -104.98 -5.81 46.45 4.77 48.79 13.89 19.34 16.86 40.57 3.58 0.65 1.20 3.90 29 G C C 33.78 4.80 18.63 24.35 124.62 -135.01 83.53 -167.70 66.72 1.87 31.41 38.12 11.37 16.01 6.73 25.71 0.00 0.85 1.20 30 A C T 87.77 3.30 16.68 21.15 94.60 -41.19 -67.35 -13.09 63.86 0.29 35.85 1.57 5.93 56.54 4.81 30.70 0.01 0.14 0.29 31 G C T 32.33 9.17 18.56 28.38 93.82 54.16 -75.49 -7.54 59.46 0.17 40.36 4.04 4.30 50.53 10.20 30.67 0.01 0.09 0.16 32 A H H 9.91 19.57 16.40 36.56 92.61 102.82 -60.96 -42.02 4.53 0.01 95.45 2.87 0.73 1.09 94.55 0.75 0.00 0.00 0.01 33 P H H 29.27 18.27 20.54 37.93 91.74 52.49 -63.52 -40.04 1.04 0.00 98.95 0.28 0.09 0.54 98.59 0.49 0.00 0.00 0.00 34 V H H 68.70 7.54 25.79 33.57 91.69 50.14 -65.06 -41.86 0.20 0.00 99.80 0.04 0.01 0.10 99.59 0.25 0.00 0.00 0.00 35 Y H H 65.02 13.60 25.05 38.23 91.72 49.24 -64.80 -42.56 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 36 L H H 7.85 24.08 22.65 46.11 91.60 49.90 -64.37 -42.77 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 37 A H H 19.31 16.21 23.79 39.77 91.21 51.38 -62.70 -41.99 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 38 A H H 38.13 7.17 26.40 34.38 91.44 50.65 -63.63 -42.12 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 39 V H H 16.51 18.68 23.60 41.96 91.43 49.93 -64.37 -42.90 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 40 L H H 9.37 23.56 21.66 44.59 91.36 50.76 -63.64 -41.84 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 41 E H H 86.24 10.06 24.86 34.92 91.36 51.61 -63.02 -41.41 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 42 Y H H 91.92 8.43 25.37 33.93 91.84 49.29 -64.94 -41.73 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 43 L H H 14.16 20.49 21.87 41.94 91.31 49.32 -64.96 -42.57 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 44 T H H 20.26 19.22 21.58 39.96 91.56 50.97 -63.51 -41.77 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 45 A H H 43.78 6.43 24.30 31.23 91.54 51.70 -63.62 -41.64 0.24 0.00 99.76 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 46 E H H 70.18 9.28 24.45 33.86 91.69 49.64 -65.25 -41.19 0.38 0.00 99.62 0.04 0.02 0.26 99.58 0.10 0.00 0.00 0.00 47 I H H 7.39 23.23 19.74 42.79 91.27 50.02 -64.15 -43.26 0.48 0.00 99.51 0.07 0.03 0.31 99.45 0.14 0.00 0.00 0.00 48 L H H 44.82 15.42 21.45 36.30 91.58 50.54 -63.45 -41.48 0.92 0.01 99.07 0.15 0.06 0.59 98.84 0.35 0.00 0.00 0.00 49 E H H 114.32 3.17 25.41 28.35 91.70 50.36 -64.51 -40.85 3.50 0.03 96.48 0.41 0.23 2.65 95.90 0.77 0.01 0.01 0.01 50 L H H 42.95 13.07 21.27 34.48 92.28 48.63 -67.08 -38.98 8.47 0.07 91.47 1.02 0.75 6.48 90.60 1.08 0.02 0.03 0.02 51 A H H 12.07 20.10 17.05 36.70 93.00 51.58 -68.63 -34.58 21.52 0.39 78.09 4.75 3.18 13.96 75.51 2.16 0.08 0.18 0.20 52 G H H 29.13 10.19 20.18 30.40 98.18 61.23 -50.44 -40.58 39.55 1.07 59.38 10.61 6.08 24.00 52.36 5.78 0.12 0.58 0.48 53 N H H 96.72 4.54 21.33 25.96 96.87 38.90 -77.97 -19.68 41.41 2.38 56.22 13.26 8.17 21.42 45.33 9.24 0.19 1.63 0.77 54 A H H 35.91 10.93 16.37 28.22 97.12 65.72 -74.75 -25.15 40.46 6.13 53.41 17.90 8.18 16.25 41.49 10.12 0.21 4.54 1.31 55 A C H 31.50 13.61 12.77 26.76 101.17 68.91 -80.54 -7.91 45.93 9.82 44.25 25.61 8.24 14.09 34.56 8.09 0.17 7.10 2.15 56 R C H 141.86 4.79 14.52 20.55 104.72 106.32 -84.18 20.30 53.74 10.59 35.67 26.23 11.20 17.70 28.51 6.18 0.44 6.93 2.80 57 D C C 103.10 3.35 13.21 17.62 104.67 49.49 -85.19 44.41 71.70 4.14 24.16 27.86 16.39 27.77 18.78 5.25 0.07 2.55 1.32 58 N C T 100.15 5.29 11.51 18.21 102.39 25.90 -83.66 39.30 82.66 1.04 16.31 25.96 20.42 36.64 10.38 5.54 0.01 0.48 0.58 59 K C C 145.77 3.46 12.85 17.58 99.17 110.80 -75.77 5.02 79.72 1.91 18.37 29.14 22.55 28.53 10.73 7.16 0.02 0.96 0.91 60 K C C 114.82 6.31 13.83 21.43 111.59 98.40 -91.57 114.97 72.44 6.94 20.62 39.92 18.26 14.61 12.55 8.00 0.04 4.39 2.22 61 T C C 63.38 11.34 14.35 26.13 111.26 67.71 -96.81 111.35 70.36 11.33 18.30 48.42 12.81 8.84 12.01 6.77 0.03 8.79 2.34 62 R C C 113.55 8.86 20.64 29.63 118.95 72.48 -101.59 139.06 64.92 18.92 16.16 42.52 15.53 6.78 11.49 5.39 0.05 14.77 3.49 63 I C C 21.26 21.97 14.38 35.93 112.93 -129.92 -91.37 123.47 64.45 25.43 10.13 49.94 10.67 2.53 8.41 2.62 0.02 14.07 11.73 64 I C C 54.99 9.67 22.14 32.32 118.90 -157.00 -93.63 145.00 89.57 2.34 8.10 84.17 4.24 0.77 8.52 0.41 0.00 1.40 0.49 65 P H H 54.19 13.60 16.41 30.21 92.63 -116.59 -57.42 -38.50 8.47 0.22 91.31 3.22 1.14 4.27 89.08 2.08 0.01 0.16 0.05 66 R H H 138.05 3.65 22.35 26.21 91.68 53.91 -64.12 -37.45 4.35 0.09 95.57 1.09 0.47 2.73 93.30 2.32 0.01 0.06 0.02 67 H H H 40.28 15.90 19.70 35.27 92.21 49.83 -66.21 -40.47 1.87 0.06 98.07 0.65 0.22 0.98 95.65 2.43 0.00 0.05 0.01 68 L H H 7.45 23.59 17.64 41.18 91.59 51.11 -63.93 -42.41 1.18 0.06 98.76 0.46 0.14 0.58 97.79 0.98 0.00 0.05 0.01 69 Q H H 77.89 8.82 23.55 32.54 91.38 51.63 -63.33 -41.55 1.39 0.14 98.48 0.41 0.14 0.80 97.77 0.74 0.00 0.12 0.01 70 L H H 48.98 6.87 23.31 31.10 91.51 50.66 -63.89 -42.24 1.57 0.20 98.24 0.39 0.18 0.98 97.37 0.88 0.00 0.19 0.01 71 A H H 6.34 18.84 17.15 36.89 91.62 50.77 -63.95 -41.79 2.28 0.20 97.52 0.64 0.25 1.35 96.46 1.10 0.01 0.17 0.02 72 I H H 35.82 16.81 17.80 34.21 92.68 48.48 -67.30 -38.20 4.83 0.14 95.02 0.76 0.47 3.53 93.38 1.70 0.02 0.09 0.03 73 R H H 147.28 3.37 20.53 24.14 92.84 50.27 -70.20 -30.21 15.25 0.10 84.65 0.92 1.21 13.06 83.42 1.26 0.05 0.04 0.05 74 N C T 83.87 6.15 16.96 23.83 102.73 29.32 -108.87 17.60 69.85 0.28 29.87 17.09 7.39 43.58 30.10 1.56 0.01 0.10 0.17 75 D H H 56.71 15.68 11.57 26.21 98.16 155.17 -64.79 -9.44 34.23 0.30 65.47 27.96 3.45 3.81 61.42 3.09 0.00 0.11 0.15 76 E H H 131.70 2.02 18.79 20.57 93.50 84.32 -65.19 -39.41 6.16 0.06 93.79 1.34 0.79 3.93 88.86 5.02 0.01 0.03 0.02 77 E H H 87.96 5.72 18.68 25.13 92.27 50.39 -66.05 -40.25 3.55 0.07 96.37 0.98 0.38 2.19 91.92 4.46 0.01 0.05 0.01 78 L H H 8.34 22.01 12.38 34.41 91.73 50.65 -64.05 -41.82 2.25 0.06 97.69 0.70 0.28 1.24 94.41 3.31 0.00 0.04 0.01 79 N H H 64.82 11.38 17.12 28.92 91.11 53.48 -63.43 -38.49 3.31 0.06 96.63 0.76 0.32 2.13 93.12 3.60 0.01 0.05 0.01 80 K H H 142.26 1.55 21.61 21.96 92.03 52.24 -66.00 -38.53 5.82 0.06 94.12 0.51 0.41 4.92 89.65 4.42 0.02 0.04 0.01 81 L H H 47.35 13.80 17.50 31.37 94.23 46.28 -72.06 -38.20 8.56 0.11 91.34 0.59 0.72 7.42 88.36 2.75 0.06 0.06 0.04 82 L H H 20.78 20.69 14.36 34.35 97.75 39.75 -89.14 -15.75 27.34 2.35 70.31 6.16 5.37 18.02 64.96 2.91 0.39 1.16 1.03 83 G C T 36.71 5.39 19.58 25.92 112.90 -148.79 71.19 -143.94 72.86 6.74 20.41 22.44 15.44 34.74 15.37 5.42 0.09 5.09 1.40 84 R C T 154.75 3.97 19.59 24.36 113.75 -13.41 -92.60 118.72 61.70 19.38 18.92 22.94 14.36 25.57 11.83 6.66 0.20 16.59 1.86 85 V C C 36.12 19.31 12.03 30.44 120.87 -165.77 -109.97 133.29 54.01 32.07 13.92 43.62 6.04 3.16 10.97 3.68 0.04 30.24 2.27 86 T E E 72.16 6.29 21.48 28.37 118.34 -161.35 -108.07 130.95 35.56 52.18 12.25 29.26 3.04 2.12 10.48 2.80 0.03 48.66 3.62 87 I E E 52.93 17.07 13.69 30.06 112.30 -158.58 -98.91 121.03 32.34 49.87 17.79 24.32 4.46 3.61 13.79 5.20 0.07 45.51 3.05 88 A C E 54.12 8.72 15.60 24.99 106.97 93.60 -85.19 -22.00 41.60 32.31 26.09 24.17 8.23 11.25 11.33 13.66 0.13 29.11 2.11 89 Q C T 129.84 3.52 16.66 20.90 103.37 8.07 -86.42 60.86 52.36 19.78 27.86 15.11 11.93 28.22 8.21 17.48 0.37 16.07 2.62 90 G C T 43.98 6.72 15.98 23.39 108.15 -19.59 84.58 2.77 72.36 6.20 21.44 15.43 16.32 41.77 4.45 15.84 0.05 4.54 1.59 91 G C C 30.84 11.33 16.21 27.52 114.84 -48.16 91.28 8.36 78.41 16.19 5.40 28.60 24.28 27.00 1.14 3.90 0.02 13.01 2.05 92 V C C 56.66 13.39 16.43 29.96 121.26 -77.10 -107.47 135.86 57.01 39.96 3.04 36.38 16.41 4.29 1.66 1.85 0.09 24.87 14.46 93 L C C 41.52 15.51 14.22 30.07 112.50 -133.01 -93.81 121.55 77.00 20.56 2.43 63.47 10.67 2.42 1.10 1.46 0.00 17.76 3.12 94 P C T 77.74 7.19 16.78 24.89 103.92 -140.12 -65.38 -2.27 78.60 12.90 8.50 22.62 12.97 43.77 3.04 4.88 0.03 11.28 1.42 95 N C T 116.18 3.11 18.34 22.03 97.89 29.22 -63.32 32.69 77.32 12.34 10.34 21.44 13.18 43.75 3.68 5.86 0.04 10.59 1.46 96 I C C 38.24 19.33 9.92 28.03 113.54 143.49 -91.06 127.30 62.99 23.61 13.40 51.53 7.34 4.16 7.20 6.48 0.03 19.12 4.15 97 Q C C 118.48 4.06 18.84 23.85 111.11 -166.38 -98.48 116.92 52.84 28.04 19.12 42.94 5.69 4.36 10.27 8.69 0.04 24.83 3.19 98 A C C 48.33 12.97 13.44 26.36 116.85 -140.71 -92.34 135.85 41.08 27.99 30.93 27.95 8.47 7.07 9.72 18.68 0.07 26.29 1.76 99 V C E 77.26 8.89 14.79 24.57 113.65 -141.99 -97.52 121.24 40.14 29.76 30.10 26.60 8.47 8.01 8.29 18.94 0.08 27.73 1.88 100 L C C 81.95 10.44 12.99 24.00 108.55 -149.17 -93.84 74.84 44.47 31.12 24.41 28.55 9.73 9.08 7.55 15.52 0.17 24.46 4.94 101 L C C 79.68 9.36 11.08 21.60 118.24 -135.47 -104.84 129.23 84.71 15.04 0.25 77.93 5.65 0.67 0.11 0.14 0.00 13.93 1.57 102 P C C 91.22 4.50 15.33 21.10 111.48 -106.33 -67.06 144.11 99.78 0.21 0.01 99.64 0.14 0.05 0.00 0.00 0.00 0.15 0.01