# 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 111.03 7.15 11.41 19.89 115.43 -163.87 -95.99 133.48 99.65 0.28 0.07 99.50 0.17 0.08 0.04 0.01 0.00 0.15 0.05 1 Q C C 126.29 3.16 11.04 15.88 114.38 -158.26 -94.30 134.05 79.24 9.79 10.97 74.76 1.64 3.40 8.58 1.95 0.00 6.54 3.13 2 A C C 76.30 4.49 9.50 15.78 114.26 -128.75 -87.35 135.82 67.28 14.66 18.06 49.83 9.48 7.32 13.19 5.27 0.03 11.78 3.08 3 L C C 99.93 6.71 9.62 17.75 112.80 -139.39 -91.84 128.76 61.02 16.38 22.60 41.58 10.92 8.41 15.79 7.06 0.08 13.24 2.92 4 S C C 71.86 4.91 12.32 18.58 113.28 -149.73 -93.94 137.33 61.52 15.38 23.10 42.66 9.83 8.86 15.70 7.63 0.06 12.54 2.72 5 A C C 72.22 6.47 10.66 18.47 110.95 -144.15 -90.06 113.05 66.70 12.70 20.60 41.97 14.10 10.71 14.17 6.69 0.06 9.66 2.62 6 R C C 156.63 3.58 12.73 17.79 113.30 -142.93 -95.51 122.86 70.90 11.32 17.78 42.44 19.47 9.19 13.25 4.87 0.07 7.56 3.15 7 A C C 60.99 8.02 10.35 19.61 116.59 -118.32 -84.56 143.47 85.28 5.82 8.89 59.21 23.15 3.03 7.48 1.85 0.01 3.62 1.65 8 P C C 82.52 6.25 11.84 19.58 112.60 -106.09 -69.16 147.46 80.10 4.85 15.05 68.62 6.44 4.92 12.01 3.27 0.00 3.63 1.12 9 R C C 164.10 3.73 12.40 17.67 111.33 -127.82 -87.67 129.84 63.72 15.42 20.86 47.30 8.94 6.65 15.65 5.99 0.05 11.69 3.73 10 V C C 91.04 6.97 10.09 18.34 115.11 -139.83 -97.16 130.28 56.33 20.72 22.95 37.40 10.31 8.43 16.62 6.97 0.13 16.21 3.92 11 A C C 73.27 5.19 11.02 17.55 112.68 -151.12 -91.40 129.59 62.33 16.57 21.10 39.36 12.14 10.67 14.96 6.69 0.08 13.22 2.89 12 A C C 74.17 5.15 11.01 17.61 115.16 -142.60 -94.53 136.00 70.52 11.33 18.15 41.46 19.09 9.97 13.23 5.44 0.07 8.09 2.65 13 K C C 135.05 4.11 11.84 17.58 117.33 -126.43 -90.81 137.46 78.46 6.84 14.70 49.74 23.36 5.28 12.29 3.05 0.02 4.48 1.79 14 P C C 86.74 6.44 10.07 18.05 112.25 -107.69 -67.26 144.55 73.55 5.04 21.42 56.21 8.97 7.72 17.13 5.06 0.01 3.45 1.45 15 V C C 105.09 4.15 10.65 16.23 110.12 -137.20 -85.39 122.87 63.28 7.40 29.32 43.10 10.85 9.22 21.76 7.93 0.03 4.97 2.14 16 S C C 77.63 3.67 11.22 16.22 109.90 -103.15 -87.53 131.31 60.89 8.03 31.08 39.57 10.73 10.60 22.11 9.18 0.05 5.48 2.26 17 R C C 152.71 4.61 10.80 16.70 108.02 -124.17 -89.52 110.50 61.33 6.20 32.47 37.38 12.10 12.25 22.68 9.64 0.05 3.89 2.00 18 S C C 72.07 4.98 10.86 17.18 108.84 -126.03 -86.09 102.48 63.57 4.25 32.18 33.80 12.60 17.86 22.14 9.51 0.06 2.45 1.59 19 G C C 50.44 3.63 12.47 17.17 103.20 -96.82 -69.34 9.38 65.56 3.41 31.03 30.71 14.12 21.59 20.45 9.80 0.08 1.84 1.41 20 A C C 69.48 5.42 10.09 16.94 106.37 123.53 -85.02 68.72 61.54 4.75 33.70 33.28 13.92 15.05 23.11 10.10 0.08 2.81 1.65 21 R C C 154.94 3.79 11.96 17.16 109.27 67.65 -88.19 107.43 58.71 7.71 33.57 33.45 12.78 13.10 23.77 9.54 0.12 5.12 2.11 22 S C C 74.12 4.94 11.72 18.03 110.20 62.47 -88.52 109.46 58.82 10.72 30.46 33.89 11.97 13.20 21.96 8.61 0.12 8.07 2.19 23 A C C 71.15 5.60 12.05 18.96 111.45 -149.09 -96.19 112.47 56.13 17.37 26.51 33.89 12.11 9.96 19.90 6.96 0.14 14.75 2.28 24 V C C 83.16 7.85 11.48 20.48 116.68 -165.43 -101.44 130.10 49.85 28.07 22.07 32.82 9.72 6.73 17.44 5.21 0.09 25.92 2.07 25 T C E 87.84 5.45 13.98 20.74 117.48 -159.61 -105.21 130.25 42.77 39.16 18.07 30.63 6.54 4.97 14.55 4.16 0.04 37.08 2.02 26 V E E 72.95 9.76 12.21 23.00 119.20 -161.04 -106.28 130.80 38.28 49.52 12.20 30.62 4.22 2.24 10.71 2.39 0.01 47.61 2.20 27 V E E 89.28 6.22 15.01 22.39 119.01 -163.09 -107.55 135.46 38.19 50.89 10.92 30.52 4.09 2.41 9.63 2.25 0.02 48.07 3.03 28 C C C 59.67 10.00 11.90 22.76 121.55 -163.96 -109.90 148.37 56.41 31.56 12.03 41.74 9.04 4.40 10.14 2.58 0.03 29.70 2.36 29 K C C 122.13 4.81 15.65 21.33 114.00 -136.79 -90.22 138.54 68.28 17.31 14.41 48.70 12.81 5.85 12.17 3.15 0.03 15.21 2.08 30 A C C 59.10 8.79 11.71 21.35 104.24 -119.39 -72.67 17.72 57.40 6.58 36.01 37.07 11.55 9.07 28.80 7.39 0.06 4.66 1.40 31 T C H 84.24 4.61 14.28 19.82 103.86 87.65 -86.34 4.20 53.03 4.99 41.99 33.14 10.86 9.94 33.88 7.55 0.07 3.33 1.23 32 T C H 76.76 5.69 13.74 20.50 106.34 56.84 -87.18 52.58 49.54 4.38 46.08 33.46 9.47 7.80 38.24 7.01 0.04 2.84 1.12 33 V H H 76.59 7.50 12.62 21.18 104.95 75.90 -82.44 34.08 45.84 2.24 51.92 35.18 6.74 4.69 47.92 3.56 0.01 1.35 0.55 34 R H H 135.93 4.74 14.63 20.24 102.74 52.75 -74.72 -14.28 37.16 1.70 61.14 29.31 4.21 4.84 56.80 3.38 0.00 1.05 0.41 35 S H H 58.65 5.62 13.85 20.53 101.96 55.70 -75.67 -32.88 29.44 1.35 69.22 21.95 3.83 5.24 64.14 3.65 0.01 0.85 0.33 36 E H H 107.79 4.53 14.89 20.29 97.09 54.29 -71.04 -36.53 21.76 1.25 77.00 15.36 3.43 4.83 71.46 3.80 0.01 0.82 0.29 37 V H H 74.38 6.00 14.23 21.33 95.30 55.40 -68.88 -39.46 18.06 1.25 80.70 12.00 3.16 4.71 75.09 3.87 0.02 0.87 0.28 38 A H H 55.23 5.94 14.39 21.34 94.56 54.82 -68.53 -37.71 20.22 1.41 78.38 13.03 3.27 5.65 72.44 4.26 0.02 1.00 0.33 39 K H H 116.80 4.65 15.19 20.64 95.99 54.22 -70.51 -35.71 24.50 1.76 73.73 14.98 4.03 7.35 67.49 4.47 0.03 1.21 0.43 40 K H H 111.99 5.23 15.13 21.30 97.82 52.54 -72.84 -33.14 30.88 2.34 66.77 19.77 4.85 8.16 61.03 4.03 0.03 1.55 0.59 41 V H H 78.47 6.21 14.44 21.61 99.77 52.70 -73.14 -35.46 39.61 2.86 57.53 27.43 5.00 8.37 52.80 3.82 0.02 1.85 0.72 42 A C C 61.42 5.65 14.92 21.36 98.58 53.24 -72.43 -35.17 54.35 3.24 42.41 42.10 4.05 7.62 40.19 3.04 0.01 2.31 0.69 43 M C C 102.86 5.71 14.29 20.97 98.34 53.24 -75.42 -28.23 51.45 5.32 43.23 40.59 4.27 6.72 39.07 4.20 0.02 4.19 0.94 44 L H H 95.48 6.04 14.00 21.21 99.12 55.52 -76.08 -25.50 40.64 9.47 49.89 29.43 4.74 7.20 42.98 6.29 0.04 7.97 1.35 45 S H H 68.44 5.26 14.26 20.66 102.35 56.76 -80.30 -15.51 40.48 12.12 47.40 26.17 5.86 9.28 39.69 7.08 0.07 10.26 1.59 46 T H H 82.65 5.62 14.25 20.99 103.06 58.52 -89.48 5.69 38.06 12.98 48.96 23.88 6.66 9.07 40.71 6.99 0.11 10.89 1.69 47 L H H 89.06 7.38 13.29 21.84 110.69 65.64 -89.52 119.59 34.75 11.29 53.97 23.39 6.51 6.36 45.09 7.45 0.07 9.85 1.29 48 P H H 80.25 6.63 14.15 21.86 108.77 -124.37 -78.39 118.30 32.29 13.16 54.55 21.80 4.74 6.67 45.18 8.19 0.06 12.07 1.30 49 A H H 66.01 6.46 13.74 21.31 108.17 -135.46 -88.04 75.19 27.51 15.18 57.31 17.26 5.00 6.91 46.29 9.31 0.12 13.57 1.53 50 T H H 77.80 6.77 13.59 21.51 110.60 97.07 -90.69 119.40 28.85 15.83 55.32 18.07 5.38 7.23 44.44 9.11 0.15 13.88 1.75 51 L H H 99.18 6.77 13.73 21.69 106.90 -147.82 -84.23 94.66 33.95 15.11 50.94 19.92 6.57 9.50 40.48 8.72 0.20 12.54 2.06 52 A C H 65.99 6.64 14.17 21.96 108.66 66.45 -88.23 95.76 45.45 11.89 42.66 25.25 9.79 12.46 33.97 7.07 0.21 8.97 2.27 53 A C C 57.86 8.54 13.91 23.43 111.57 75.83 -88.20 126.11 58.16 7.02 34.82 31.78 15.36 12.01 29.14 5.17 0.09 4.75 1.70 54 H C C 96.13 8.50 15.21 24.56 111.64 -120.72 -85.86 127.69 64.47 2.87 32.66 41.86 15.52 6.26 30.83 3.07 0.01 1.72 0.74 55 P C H 73.23 7.15 17.15 25.10 97.23 -109.95 -66.14 -29.38 48.99 2.61 48.39 36.78 5.11 7.04 44.45 4.21 0.01 1.82 0.58 56 A H H 42.65 11.78 16.66 28.58 95.13 57.40 -68.11 -35.92 30.77 5.88 63.36 21.76 4.27 6.22 55.84 5.90 0.04 5.18 0.80 57 F H H 76.71 13.06 17.40 30.14 94.69 55.48 -67.61 -36.76 19.86 10.92 69.22 13.66 3.14 4.58 61.05 6.09 0.06 10.53 0.89 58 A H H 47.41 7.63 19.04 27.35 94.54 56.00 -66.21 -39.80 17.09 11.02 71.90 11.65 2.67 4.09 64.80 5.13 0.05 10.87 0.75 59 L H H 72.81 7.55 20.36 28.09 94.18 51.97 -67.93 -40.73 14.93 10.28 74.78 10.04 2.54 3.96 68.18 4.37 0.06 10.12 0.73 60 V H H 36.05 13.85 17.54 31.56 94.17 50.63 -67.27 -41.04 13.87 6.92 79.21 9.28 2.29 3.83 73.06 4.10 0.05 6.83 0.56 61 D H H 54.09 11.23 18.00 29.52 93.18 51.53 -65.47 -40.02 15.22 4.74 80.03 9.28 2.46 5.05 73.08 5.04 0.06 4.52 0.51 62 E H H 100.44 5.32 19.57 25.22 92.78 51.68 -67.07 -37.44 18.11 3.22 78.68 7.84 3.05 8.58 70.33 6.73 0.11 2.82 0.54 63 R H H 102.80 9.01 17.54 27.11 93.15 51.81 -69.23 -33.01 22.84 3.02 74.14 8.14 3.80 12.57 65.87 6.33 0.19 2.40 0.69 64 M H H 66.04 13.60 14.27 27.68 96.08 57.02 -76.65 -21.43 36.27 4.15 59.58 14.65 7.36 17.33 51.29 5.07 0.27 2.62 1.40 65 N C T 94.21 6.03 16.16 23.18 100.39 70.27 -82.32 -4.07 63.73 4.13 32.13 23.59 12.04 28.94 26.86 4.58 0.14 2.12 1.72 66 G C T 43.97 6.62 14.60 22.14 103.76 50.02 38.07 -6.47 80.04 4.28 15.68 29.25 22.17 29.78 9.24 5.49 0.04 2.11 1.92 67 D C C 94.16 5.39 14.13 20.72 104.11 84.01 -86.30 35.37 83.59 5.47 10.94 36.27 23.69 24.72 4.26 5.82 0.02 2.60 2.61 68 G C C 43.28 7.51 12.72 21.24 108.34 -99.59 82.31 28.99 88.59 4.05 7.35 38.88 24.38 25.77 1.70 5.45 0.00 2.01 1.81 69 T C C 86.35 5.61 13.63 20.51 103.38 103.10 -90.67 10.17 85.71 6.71 7.58 32.25 24.32 30.08 1.82 5.32 0.01 3.34 2.86 70 G C C 49.64 4.84 14.51 20.67 103.92 -82.73 82.02 4.98 88.94 5.93 5.14 31.65 31.19 26.71 1.15 3.95 0.01 3.08 2.28 71 R C C 108.40 8.18 12.56 22.09 117.56 127.57 -94.14 141.01 86.24 8.62 5.13 54.83 25.45 5.48 2.10 3.21 0.01 3.90 5.02 72 P C T 85.81 5.91 14.37 21.50 104.93 -109.19 -67.28 118.91 80.86 4.25 14.89 26.68 17.25 37.30 3.24 11.32 0.01 2.40 1.80 73 F C T 117.43 8.43 14.26 23.21 101.95 34.18 -85.60 14.25 78.62 4.95 16.42 18.19 18.39 42.29 3.53 12.46 0.04 2.79 2.31 74 G C C 34.89 8.38 15.48 24.72 109.30 -97.48 88.95 -2.42 76.44 8.69 14.88 35.39 21.14 20.90 3.55 10.71 0.03 4.39 3.89 75 V C C 68.78 11.16 12.98 24.55 108.81 82.43 -93.64 92.20 72.65 15.27 12.08 38.22 18.10 17.11 4.55 6.93 0.09 7.46 7.54 76 N C C 107.55 4.62 16.38 21.83 101.12 93.43 -89.36 -0.51 79.47 9.37 11.15 39.65 22.40 18.38 4.56 6.00 0.04 4.74 4.23 77 D C C 56.52 9.76 13.96 24.98 115.80 86.88 -106.46 125.97 81.69 3.51 14.80 36.37 35.96 9.36 12.08 2.88 0.03 1.35 1.98 78 P H H 81.37 6.93 16.41 24.40 94.64 -143.25 -66.42 -28.57 47.87 1.21 50.92 11.19 16.03 22.13 46.52 2.82 0.18 0.48 0.64 79 V H H 70.65 7.42 18.32 26.31 93.00 57.93 -66.18 -40.54 21.61 1.08 77.30 6.15 4.34 12.98 73.19 2.11 0.21 0.54 0.49 80 L H H 42.45 13.61 17.00 30.88 92.49 51.36 -65.49 -40.97 7.17 0.36 92.47 2.46 1.11 4.00 90.81 1.25 0.05 0.21 0.12 81 G H H 20.18 10.18 17.71 29.09 91.94 52.51 -63.21 -41.83 3.11 0.14 96.76 1.22 0.43 1.55 95.93 0.74 0.01 0.08 0.03 82 W H H 121.73 5.42 21.50 27.10 92.14 49.95 -65.25 -41.59 1.18 0.05 98.77 0.41 0.13 0.63 98.40 0.38 0.00 0.03 0.01 83 V H H 48.74 10.54 20.14 31.06 92.23 49.97 -64.42 -42.67 0.52 0.02 99.46 0.15 0.05 0.29 99.33 0.17 0.00 0.01 0.00 84 L H H 49.93 13.45 19.61 32.94 92.35 49.67 -64.49 -41.58 0.50 0.01 99.49 0.09 0.03 0.32 99.41 0.13 0.00 0.00 0.00 85 L H H 78.96 7.01 22.05 29.35 91.98 50.14 -64.99 -40.62 0.80 0.01 99.19 0.09 0.05 0.60 99.09 0.16 0.00 0.00 0.00 86 G H H 28.16 7.31 21.01 28.78 92.19 50.50 -65.07 -41.00 2.01 0.01 97.98 0.15 0.11 1.67 97.89 0.16 0.00 0.00 0.00 87 V H H 43.47 12.00 20.33 32.42 92.67 49.51 -65.50 -42.39 1.25 0.01 98.73 0.18 0.13 0.86 98.74 0.09 0.00 0.00 0.00 88 F H H 74.97 10.65 21.04 31.79 92.14 49.81 -63.86 -41.74 0.59 0.01 99.40 0.11 0.06 0.36 99.38 0.08 0.00 0.00 0.00 89 G H H 29.00 6.71 20.63 27.86 91.91 50.93 -64.42 -41.14 0.48 0.00 99.51 0.07 0.04 0.31 99.50 0.07 0.00 0.00 0.00 90 T H H 55.79 7.98 20.76 28.92 92.37 50.11 -65.59 -41.30 0.28 0.00 99.71 0.03 0.02 0.20 99.69 0.06 0.00 0.00 0.00 91 M H H 60.28 10.91 19.97 30.96 92.08 50.13 -64.32 -42.46 0.21 0.00 99.79 0.02 0.02 0.16 99.75 0.05 0.00 0.00 0.00 92 W H H 104.12 8.34 20.23 28.99 91.83 49.87 -64.38 -41.41 0.27 0.00 99.73 0.02 0.02 0.21 99.67 0.07 0.00 0.00 0.00 93 A H H 44.82 6.31 19.10 26.19 91.72 51.85 -63.52 -41.95 0.32 0.00 99.67 0.02 0.02 0.26 99.57 0.12 0.00 0.00 0.00 94 I H H 71.97 7.50 19.44 27.33 91.95 49.49 -64.59 -41.63 0.45 0.00 99.55 0.02 0.02 0.39 99.38 0.18 0.00 0.00 0.00 95 W H H 91.37 9.62 18.00 28.16 92.11 49.25 -64.84 -41.54 0.82 0.01 99.17 0.06 0.04 0.70 98.87 0.33 0.00 0.01 0.00 96 F H H 87.59 7.07 17.51 25.50 92.18 49.77 -65.12 -41.25 2.70 0.07 97.23 0.28 0.21 2.17 96.58 0.68 0.01 0.05 0.01 97 I H H 84.07 4.58 17.49 22.64 92.57 50.04 -65.47 -40.36 7.63 0.25 92.12 1.00 0.78 5.87 90.66 1.39 0.05 0.18 0.06 98 G H H 33.03 6.72 15.20 23.03 92.95 51.74 -68.63 -33.25 19.86 0.45 79.69 3.25 2.33 14.49 76.88 2.49 0.11 0.27 0.18 99 Q H H 83.70 8.46 13.32 22.71 96.23 52.47 -80.71 -19.94 35.35 1.85 62.80 10.38 5.92 20.94 55.91 4.81 0.21 1.09 0.75 100 K C H 124.04 5.11 13.27 19.70 101.34 70.14 -79.13 -13.49 51.46 2.90 45.64 15.90 10.26 26.98 37.10 6.72 0.25 1.57 1.22 101 D C T 105.64 3.00 14.38 18.15 102.06 51.99 -88.39 24.07 63.58 2.86 33.56 24.11 10.21 30.19 26.50 6.21 0.07 1.54 1.18 102 L C C 86.44 8.13 10.45 19.63 101.16 117.61 -86.60 -0.26 73.92 3.42 22.66 37.70 23.05 13.98 16.09 5.87 0.05 1.53 1.73 103 G C C 43.93 4.10 13.48 18.92 116.77 -122.90 81.15 -149.83 80.81 2.51 16.68 48.51 13.29 19.16 7.17 9.32 0.00 1.36 1.18 104 D C C 109.37 2.94 13.44 17.59 108.25 -39.75 -84.27 99.06 77.22 3.91 18.87 39.75 17.65 20.63 6.14 12.06 0.02 2.06 1.69 105 F C C 108.09 8.59 9.33 19.00 113.98 153.35 -94.21 126.61 74.09 7.12 18.79 47.43 13.61 13.22 7.13 11.59 0.02 4.20 2.80 106 E C C 122.15 4.05 11.85 17.51 112.52 -150.01 -92.82 130.58 73.31 8.96 17.73 44.47 15.14 14.13 8.16 9.33 0.04 5.21 3.52 107 D C C 92.60 4.81 10.52 17.00 110.60 -130.08 -90.80 116.80 77.10 7.12 15.78 44.98 16.30 16.40 6.65 8.65 0.02 4.00 3.00 108 A C C 68.06 5.95 9.61 17.13 105.70 -148.72 -81.54 79.24 77.72 4.66 17.62 43.33 14.32 20.78 5.80 11.21 0.01 2.57 1.98 109 D C C 110.50 2.57 10.95 14.95 102.76 68.08 -84.06 17.76 80.94 3.39 15.67 32.58 18.62 31.00 4.16 10.39 0.01 1.73 1.49 110 D C T 96.74 4.12 10.60 16.12 101.72 91.07 -86.68 3.83 83.00 3.46 13.54 30.03 23.90 30.18 3.20 9.37 0.01 1.72 1.58 111 G C C 48.01 4.38 11.75 17.50 102.75 -90.09 85.71 2.20 83.00 7.75 9.26 33.82 27.73 22.74 1.96 6.80 0.01 4.79 2.16 112 L C C 88.10 7.59 8.98 17.85 113.55 113.82 -90.82 130.18 70.46 20.47 9.07 45.34 14.80 10.74 2.64 6.52 0.03 15.07 4.87 113 K C C 142.72 2.87 12.31 16.81 115.75 -153.98 -96.52 134.50 71.42 23.33 5.25 60.88 3.92 5.55 2.00 3.08 0.00 18.07 6.50 114 L C C 90.20 10.02 11.31 21.81 106.89 -142.84 -84.74 91.35 99.00 0.94 0.06 98.82 0.25 0.12 0.03 0.01 0.00 0.69 0.09