# 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 Q C C 104.64 6.97 17.72 25.39 119.37 -163.37 -105.62 133.29 99.34 0.58 0.08 99.31 0.16 0.08 0.04 0.01 0.00 0.31 0.09 1 C C C 44.64 14.50 10.60 24.82 116.31 -155.94 -95.13 132.41 84.32 8.08 7.60 80.68 1.20 3.13 5.82 1.45 0.00 4.77 2.95 2 Q C C 105.75 5.09 14.57 20.70 114.54 -163.18 -92.69 137.78 73.95 10.39 15.66 57.54 9.22 6.28 12.96 3.66 0.01 7.21 3.12 3 R C C 137.06 6.93 12.83 20.84 101.76 -117.01 -78.36 -15.84 54.96 10.91 34.12 34.71 11.55 9.00 26.38 7.93 0.10 8.20 2.13 4 E C C 112.84 5.36 14.81 21.19 101.20 73.88 -77.62 -19.62 51.33 11.82 36.84 31.81 10.10 9.75 27.88 8.97 0.10 9.37 2.03 5 T C C 57.74 10.28 14.42 25.33 104.58 61.94 -89.57 3.86 48.19 14.62 37.19 31.43 8.43 8.74 27.61 9.45 0.12 11.17 3.05 6 A C C 38.29 13.53 12.73 26.31 106.78 80.04 -84.84 84.45 55.94 12.82 31.24 35.40 11.02 9.65 23.10 8.48 0.11 9.20 3.05 7 E C C 109.40 6.14 15.93 22.97 108.53 64.16 -90.09 104.64 68.19 10.32 21.49 45.11 11.46 11.02 15.12 7.08 0.04 7.32 2.84 8 K C C 114.46 8.27 12.82 22.02 107.60 -123.09 -88.28 101.47 76.98 9.68 13.34 50.24 16.55 10.09 8.04 5.27 0.03 5.66 4.12 9 N C C 64.70 7.72 12.45 21.65 126.00 143.48 -122.12 155.86 90.98 6.32 2.71 67.58 18.90 3.95 1.38 1.29 0.00 2.87 4.03 10 D C T 111.40 3.61 13.41 18.44 93.78 -110.56 -68.45 -17.52 96.01 0.81 3.18 6.83 17.07 72.40 0.81 2.03 0.00 0.50 0.36 11 Y C T 139.23 5.49 13.79 20.32 98.36 54.74 -94.06 -2.88 95.61 1.56 2.83 8.97 15.73 71.09 0.66 2.00 0.00 1.04 0.51 12 Y C C 79.87 12.37 11.80 24.81 115.75 86.70 -100.19 126.87 81.89 14.16 3.95 52.99 23.01 5.18 1.56 2.42 0.01 5.94 8.90 13 R C C 117.75 8.19 15.85 25.04 120.23 -167.79 -107.07 137.30 90.46 6.90 2.64 75.02 12.57 2.75 1.39 1.19 0.00 4.03 3.06 14 V C C 57.29 11.85 13.98 26.49 114.87 -111.92 -76.45 140.95 85.43 3.48 11.09 67.57 11.06 6.67 7.16 3.95 0.00 2.10 1.48 15 P C C 74.10 8.19 15.99 24.98 104.70 -109.56 -68.37 109.32 75.05 1.94 23.01 33.44 12.23 30.15 12.97 9.26 0.01 1.05 0.89 16 H C C 90.84 9.01 16.80 26.18 106.85 55.11 -90.00 59.72 65.60 3.30 31.10 30.25 10.43 25.78 18.66 11.52 0.04 1.78 1.54 17 Y H H 67.21 15.08 16.01 30.60 96.08 84.04 -70.01 -29.77 39.71 4.86 55.43 18.16 9.41 14.22 37.90 15.34 0.36 2.76 1.86 18 W H H 72.51 15.55 16.64 31.53 95.58 62.02 -69.35 -29.18 34.02 4.66 61.32 12.94 7.46 14.66 42.93 17.06 0.50 2.91 1.53 19 D H H 64.60 9.31 18.54 28.31 94.39 61.48 -70.75 -26.27 30.47 4.40 65.13 12.98 6.12 12.18 45.45 18.82 0.28 2.95 1.23 20 A H H 43.70 11.66 17.72 29.50 94.61 58.70 -72.42 -25.11 32.09 3.81 64.10 7.75 6.22 17.82 46.52 17.16 0.71 2.60 1.22 21 C H H 41.37 15.00 15.92 30.62 98.95 50.70 -95.15 -1.74 44.46 6.37 49.17 11.77 9.74 23.60 36.06 11.59 1.05 3.76 2.43 22 S C C 39.65 14.12 14.84 28.94 114.40 100.76 -84.27 139.80 72.61 7.93 19.46 36.61 26.82 10.19 14.18 4.83 0.11 4.26 3.01 23 R C C 138.43 5.22 18.66 24.81 116.83 -100.72 -83.30 140.61 79.27 11.30 9.43 55.24 16.04 7.95 5.76 3.86 0.02 7.79 3.35 24 A C C 67.56 8.61 15.48 25.21 113.50 -106.57 -72.09 138.98 83.58 12.84 3.58 70.64 9.28 2.78 2.35 1.46 0.00 6.40 7.08 25 L C C 34.02 17.93 9.22 26.48 117.71 -120.26 -84.55 140.37 96.13 3.59 0.28 83.61 12.59 0.26 0.22 0.08 0.00 1.65 1.59 26 P C C 77.72 2.50 17.92 19.94 115.79 -104.16 -66.61 153.33 98.72 0.88 0.40 97.86 0.98 0.18 0.28 0.05 0.00 0.41 0.24 27 D H H 100.45 5.27 11.73 18.82 92.33 -108.49 -59.24 -37.29 4.57 0.02 95.41 1.28 0.88 2.34 94.00 1.48 0.00 0.01 0.01 28 Q H H 129.00 1.18 15.91 16.12 92.36 53.54 -64.77 -39.21 2.46 0.01 97.53 0.40 0.25 1.66 96.05 1.61 0.00 0.01 0.00 29 T H H 50.55 6.83 15.04 23.48 92.50 48.74 -66.68 -40.08 1.36 0.01 98.63 0.33 0.15 0.80 96.98 1.73 0.00 0.01 0.00 30 R H H 49.96 16.93 13.85 30.45 91.77 52.38 -63.10 -42.38 0.52 0.00 99.47 0.14 0.05 0.27 99.29 0.25 0.00 0.00 0.00 31 Y H H 106.72 7.78 19.20 27.57 91.75 50.79 -64.18 -40.84 0.44 0.00 99.56 0.08 0.03 0.26 99.54 0.09 0.00 0.00 0.00 32 K H H 114.65 2.65 22.42 24.23 91.69 49.37 -65.24 -41.31 0.40 0.00 99.60 0.05 0.02 0.27 99.60 0.06 0.00 0.00 0.00 33 Y H H 38.95 14.42 19.59 34.50 91.94 49.02 -64.61 -43.06 0.25 0.00 99.75 0.03 0.01 0.16 99.76 0.03 0.00 0.00 0.00 34 V H H 13.11 21.25 19.05 40.03 91.83 49.27 -63.76 -42.98 0.14 0.00 99.86 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 35 E H H 79.78 8.63 22.66 31.49 91.68 51.12 -63.17 -41.65 0.11 0.00 99.89 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 36 Q H H 80.19 6.09 24.07 30.35 91.81 50.05 -64.98 -41.54 0.15 0.00 99.85 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 37 L H H 17.29 19.44 20.85 39.99 91.85 49.32 -64.36 -43.11 0.21 0.00 99.79 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 38 V H H 19.82 19.53 20.93 39.95 91.78 49.29 -63.61 -42.71 0.34 0.00 99.66 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 39 D H H 71.45 6.37 24.49 31.09 91.69 50.11 -64.37 -40.87 1.26 0.00 98.73 0.15 0.08 0.93 98.63 0.21 0.00 0.00 0.00 40 L H H 51.41 9.58 22.78 32.73 92.10 50.22 -65.40 -41.58 3.20 0.02 96.79 0.30 0.23 2.55 96.34 0.56 0.01 0.01 0.01 41 T H H 13.25 19.94 19.87 39.39 92.23 49.63 -65.29 -41.31 6.56 0.07 93.37 0.93 0.71 4.87 92.13 1.28 0.03 0.03 0.03 42 L H H 40.20 16.00 20.53 35.86 92.42 51.36 -65.09 -40.46 15.24 0.33 84.44 2.46 1.88 11.26 79.32 4.62 0.13 0.18 0.14 43 N H H 83.17 5.66 23.24 28.95 92.50 51.79 -66.24 -39.11 24.91 0.40 74.69 3.67 2.73 18.68 69.38 5.03 0.11 0.22 0.18 44 Y H H 71.84 11.47 20.60 32.11 94.62 49.42 -69.91 -38.90 32.04 1.46 66.49 8.75 6.51 18.98 58.03 5.97 0.32 0.79 0.66 45 H H H 37.65 16.41 18.49 34.43 94.71 49.23 -69.36 -39.38 33.29 4.14 62.58 15.60 7.15 13.57 54.30 5.16 0.30 2.49 1.42 46 Y H H 73.20 11.48 17.97 29.92 93.50 50.12 -66.86 -39.39 29.40 4.91 65.69 12.92 6.94 13.11 54.75 6.87 0.59 3.23 1.59 47 D H H 74.27 5.69 18.35 24.64 93.43 50.83 -68.27 -36.00 29.17 3.06 67.77 12.53 6.15 13.33 56.49 8.08 0.35 2.08 0.99 48 A H H 50.46 8.58 16.03 25.31 94.65 50.57 -72.64 -33.67 29.16 2.52 68.32 9.24 6.39 15.46 54.45 11.35 0.57 1.65 0.91 49 S H H 49.91 10.40 14.42 25.10 98.06 48.90 -82.69 -23.80 36.88 2.90 60.22 9.82 8.24 20.64 47.10 10.55 0.73 1.74 1.20 50 H C T 110.36 6.46 14.56 21.96 100.43 38.19 -91.69 8.78 60.98 2.21 36.81 10.30 12.46 37.92 28.22 8.39 0.30 1.07 1.35 51 G C T 50.23 4.31 14.83 20.26 99.47 -107.23 75.34 13.17 88.10 1.58 10.33 26.80 17.07 44.97 5.68 3.94 0.01 0.77 0.77 52 L C C 87.54 7.93 12.47 21.56 108.82 118.15 -95.83 82.87 84.19 4.48 11.33 52.90 16.16 15.06 6.73 4.51 0.01 2.17 2.45 53 D C C 87.70 7.13 14.01 22.29 105.96 138.92 -93.64 50.56 83.57 3.86 12.57 50.48 21.52 11.46 8.58 4.15 0.01 1.86 1.94 54 N C C 74.00 7.38 16.17 24.54 109.94 130.57 -102.51 107.70 83.19 1.78 15.03 65.95 11.86 4.26 14.26 2.01 0.00 0.81 0.86 55 F H H 88.84 13.35 13.34 26.71 95.05 -155.25 -68.23 -24.85 17.29 0.48 82.24 7.43 3.20 7.90 74.53 6.41 0.05 0.29 0.18 56 D H H 93.45 3.00 19.08 22.29 92.90 63.83 -65.81 -35.14 11.55 0.50 87.95 3.77 1.75 6.59 79.21 8.11 0.06 0.39 0.13 57 V H H 31.75 12.90 16.34 30.16 93.00 52.65 -67.09 -39.12 5.95 0.67 93.39 1.87 0.88 3.38 84.09 8.99 0.04 0.66 0.09 58 L H H 17.80 21.79 13.91 34.91 92.67 54.71 -67.92 -32.61 7.11 1.17 91.72 2.42 1.08 3.85 82.06 9.25 0.05 1.10 0.18 59 K H H 116.18 7.18 19.92 27.81 92.69 60.49 -67.76 -26.53 25.49 1.51 73.00 3.84 2.81 18.60 64.56 8.38 0.23 1.17 0.41 60 R H H 127.67 6.44 21.36 28.02 94.83 55.01 -78.74 -20.69 38.88 2.13 58.99 5.32 5.23 28.13 52.88 6.06 0.26 1.44 0.70 61 I C H 15.92 23.05 13.68 36.16 113.72 82.05 -90.01 124.61 60.35 7.38 32.26 26.50 25.45 9.24 30.45 2.04 0.15 2.91 3.27 62 N C C 62.07 9.20 23.63 32.84 111.09 -128.08 -80.18 131.57 76.89 7.14 15.98 68.67 4.30 2.94 16.46 1.22 0.00 3.16 3.25 63 V H H 40.59 18.88 17.52 35.49 93.22 -131.23 -63.29 -35.93 5.71 0.12 94.17 2.42 1.04 2.36 93.41 0.67 0.01 0.06 0.03 64 T H H 66.60 6.85 23.78 30.92 92.24 54.69 -64.39 -40.58 2.37 0.09 97.54 0.78 0.32 1.29 97.00 0.53 0.01 0.05 0.01 65 E H H 44.98 14.52 22.46 36.58 91.89 49.45 -65.73 -41.36 1.03 0.05 98.92 0.41 0.13 0.51 98.47 0.44 0.00 0.03 0.01 66 V H H 2.88 25.75 19.69 45.54 91.61 50.30 -63.72 -43.00 0.58 0.02 99.40 0.21 0.06 0.28 99.23 0.20 0.00 0.01 0.00 67 S H H 29.74 13.41 23.33 36.56 91.36 51.83 -63.41 -42.03 0.52 0.02 99.46 0.15 0.05 0.29 99.37 0.14 0.00 0.01 0.00 68 L H H 66.74 6.99 25.67 33.19 91.58 50.60 -64.47 -42.02 0.74 0.02 99.24 0.16 0.06 0.47 99.10 0.19 0.00 0.02 0.00 69 L H H 9.60 21.44 21.79 42.70 91.57 49.73 -64.37 -43.16 1.16 0.03 98.82 0.20 0.09 0.81 98.58 0.29 0.00 0.02 0.00 70 I H H 10.92 22.44 20.54 42.37 91.37 49.81 -63.69 -42.32 2.34 0.04 97.62 0.38 0.22 1.68 96.96 0.72 0.01 0.02 0.01 71 S H H 50.18 6.62 23.56 30.49 91.56 51.17 -64.81 -39.05 11.06 0.09 88.86 1.16 0.76 8.86 87.35 1.75 0.03 0.04 0.04 72 D H H 51.85 10.00 21.09 31.59 92.17 52.18 -67.01 -35.95 26.90 0.21 72.88 3.12 2.08 21.23 70.63 2.69 0.05 0.11 0.10 73 F H H 18.58 21.78 15.86 36.94 94.88 52.79 -74.08 -30.14 35.36 1.69 62.95 16.12 6.46 14.40 57.83 3.60 0.08 0.93 0.58 74 R H H 106.54 11.82 18.56 29.98 97.11 63.82 -67.14 -30.57 43.35 4.63 52.02 29.94 5.38 8.56 47.55 4.30 0.03 3.17 1.06 75 R C H 130.54 5.81 18.03 24.58 99.49 60.96 -77.38 -15.50 47.43 5.56 47.01 32.85 5.44 9.35 42.29 4.79 0.03 4.03 1.22 76 Q C H 72.59 12.28 13.30 25.78 102.91 76.84 -83.99 15.19 51.49 5.32 43.18 33.66 8.19 10.24 37.55 5.39 0.06 3.55 1.36 77 N C C 96.69 6.68 14.71 22.44 103.98 85.97 -87.30 30.52 63.11 5.39 31.51 42.02 8.33 12.13 27.56 4.83 0.03 3.60 1.51 78 R C C 129.81 6.81 13.09 21.32 112.45 137.44 -89.14 124.35 68.28 7.84 23.88 42.88 11.62 13.31 19.56 5.13 0.04 5.08 2.38 79 R C C 143.38 5.64 12.77 20.09 111.31 -114.42 -90.22 125.71 76.52 7.60 15.88 45.07 12.88 18.45 11.80 4.49 0.02 4.65 2.64 80 G C C 46.87 5.06 13.61 20.17 114.34 4.56 103.45 48.03 88.67 4.26 7.07 39.63 18.60 31.36 3.05 3.46 0.00 2.66 1.24 81 G C C 42.98 6.00 13.48 20.73 117.34 2.42 101.70 -166.06 89.05 5.29 5.65 39.72 24.48 25.67 1.36 4.03 0.00 3.31 1.43 82 T C C 85.94 6.01 13.79 21.11 111.09 -83.88 -94.51 119.26 84.34 9.87 5.80 45.55 22.66 16.70 1.41 4.43 0.00 7.12 2.12 83 N C C 97.97 6.72 14.84 22.67 106.21 -40.12 -89.62 72.98 80.81 13.61 5.58 44.72 21.94 14.61 1.14 4.47 0.00 11.57 1.55 84 K C C 95.44 10.20 15.19 26.03 114.95 156.16 -95.97 129.03 68.44 27.34 4.23 47.08 15.08 6.27 0.97 3.22 0.00 25.88 1.50 85 R E E 114.60 9.72 18.43 28.53 118.07 -152.60 -100.29 132.14 37.41 60.63 1.96 29.88 5.74 2.15 0.64 1.26 0.00 58.83 1.49 86 T E E 26.67 18.81 15.10 33.62 123.64 -167.88 -116.55 135.76 15.94 83.60 0.46 13.62 1.96 0.44 0.20 0.23 0.00 82.93 0.64 87 T E E 62.74 8.71 22.85 31.97 123.39 -158.50 -113.91 134.92 7.58 92.21 0.21 6.39 0.85 0.21 0.08 0.09 0.00 92.13 0.27 88 F E E 34.04 21.47 15.13 36.04 126.79 -172.29 -124.57 138.56 5.30 94.53 0.17 4.48 0.59 0.15 0.07 0.06 0.00 94.37 0.27 89 N E E 77.90 7.67 24.06 32.18 124.64 -170.71 -123.26 139.53 9.30 90.43 0.27 7.55 1.30 0.35 0.08 0.13 0.00 90.33 0.27 90 A E E 24.67 20.70 15.29 34.92 132.10 -172.95 -133.85 144.29 16.88 82.37 0.74 13.72 2.74 0.88 0.24 0.39 0.00 81.33 0.70 91 A E E 53.86 8.41 22.19 31.02 128.15 -164.54 -125.42 143.72 26.95 71.88 1.16 20.50 5.77 1.98 0.35 0.73 0.00 69.47 1.19 92 G E E 24.25 16.80 14.89 30.87 134.25 -169.26 -139.03 159.11 35.87 63.04 1.10 22.05 12.23 3.62 0.24 0.81 0.00 60.08 0.97 93 S E E 53.33 8.11 18.97 27.80 130.33 -157.30 -130.04 150.26 37.09 61.91 1.01 23.85 12.30 3.55 0.24 0.81 0.00 57.40 1.83 94 L E E 91.83 10.43 13.93 24.87 106.02 -148.56 -97.88 36.33 47.32 51.59 1.09 25.53 20.09 4.98 0.26 0.92 0.00 45.64 2.58 95 A C C 50.27 5.40 16.01 22.45 127.38 117.12 -125.81 159.73 70.72 26.88 2.41 31.28 28.04 12.68 0.38 2.10 0.01 23.32 2.18 96 P C T 94.92 5.67 14.03 20.68 95.46 -87.68 -64.20 -24.53 87.78 2.66 9.56 12.38 23.84 51.62 0.85 8.75 0.00 1.90 0.66 97 H C T 125.58 5.27 15.38 21.14 99.49 39.00 -92.47 1.05 82.50 6.22 11.28 12.95 21.72 48.25 1.05 10.05 0.01 4.89 1.08 98 A C E 42.02 10.44 16.06 27.35 119.46 54.90 -116.07 137.63 56.41 35.74 7.86 28.30 14.32 16.31 1.02 6.49 0.02 31.81 1.73 99 R E E 58.82 16.55 16.85 33.04 122.88 -167.17 -113.23 137.86 35.61 63.07 1.33 26.53 7.00 3.28 0.34 1.00 0.00 60.52 1.33 100 S E E 30.57 13.12 22.60 35.94 125.61 -163.13 -119.03 138.10 18.05 81.66 0.30 14.91 2.38 0.58 0.08 0.18 0.00 81.33 0.53 101 L E E 10.42 22.87 18.83 41.72 122.52 -163.82 -115.83 132.69 6.65 93.22 0.13 5.49 0.78 0.18 0.03 0.06 0.00 93.32 0.13 102 E E E 57.63 11.80 25.71 37.79 122.31 -162.91 -116.50 131.94 2.05 97.89 0.06 1.76 0.19 0.04 0.01 0.02 0.00 97.92 0.04 103 F E E 9.21 24.22 19.43 43.73 125.62 -170.70 -123.35 135.65 1.18 98.78 0.04 1.06 0.08 0.02 0.01 0.01 0.00 98.80 0.02 104 S E E 24.34 12.24 26.24 39.04 124.28 -166.53 -119.77 136.25 1.20 98.77 0.03 1.09 0.07 0.01 0.01 0.01 0.00 98.79 0.02 105 V E E 5.77 24.53 19.29 44.10 123.47 -167.99 -121.53 131.78 1.31 98.66 0.03 1.22 0.07 0.02 0.01 0.01 0.00 98.64 0.03 106 R E E 80.71 10.11 26.37 36.71 117.68 -157.66 -107.34 127.01 2.79 97.18 0.04 2.51 0.20 0.04 0.01 0.02 0.00 97.13 0.09 107 L E E 13.13 22.85 16.50 39.37 117.43 -156.77 -104.87 129.11 11.16 88.69 0.14 9.28 1.55 0.31 0.04 0.08 0.00 88.31 0.43 108 F E E 73.21 9.37 20.58 30.66 124.44 -165.58 -118.18 141.89 29.92 69.86 0.22 24.67 4.69 0.75 0.06 0.18 0.00 68.27 1.38 109 A C C 49.24 11.33 13.65 25.55 112.38 -112.56 -71.58 142.70 56.82 42.98 0.20 52.77 1.68 0.62 0.05 0.14 0.00 42.90 1.83 110 N C C 99.95 6.43 15.76 23.26 107.46 -126.55 -85.58 99.61 99.74 0.25 0.01 99.63 0.14 0.05 0.00 0.00 0.00 0.16 0.01