# 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 101.73 5.94 12.03 19.38 112.31 -154.44 -87.14 130.17 99.88 0.05 0.07 99.83 0.06 0.04 0.05 0.00 0.00 0.02 0.01 1 N C C 94.99 3.08 11.23 15.53 106.86 -143.75 -82.76 110.13 58.47 2.69 38.84 53.64 0.70 3.41 39.05 0.75 0.00 0.75 1.71 2 I H H 107.29 4.17 9.41 15.17 94.13 87.67 -65.89 -35.75 10.96 0.11 88.92 5.40 1.53 3.47 88.70 0.79 0.00 0.05 0.05 3 M H H 123.74 1.37 12.23 13.67 92.38 53.21 -65.29 -40.12 3.99 0.06 95.95 1.66 0.52 1.69 95.24 0.84 0.00 0.03 0.01 4 L H H 97.50 1.58 13.34 14.79 92.13 49.91 -65.40 -40.72 1.59 0.03 98.39 0.66 0.19 0.69 97.71 0.74 0.00 0.02 0.00 5 T H H 58.89 4.86 11.95 18.54 92.32 50.58 -64.98 -41.37 0.80 0.01 99.19 0.28 0.08 0.37 98.95 0.32 0.00 0.01 0.00 6 L H H 86.15 4.00 13.80 18.93 91.94 50.92 -64.53 -41.31 0.53 0.00 99.46 0.14 0.04 0.27 99.39 0.15 0.00 0.00 0.00 7 L H H 103.37 1.33 16.44 16.49 92.06 49.60 -64.89 -41.41 0.53 0.00 99.46 0.12 0.04 0.29 99.43 0.12 0.00 0.00 0.00 8 T H H 72.20 2.39 16.09 18.43 92.06 48.95 -65.18 -41.64 0.60 0.00 99.40 0.12 0.05 0.33 99.42 0.08 0.00 0.00 0.00 9 N H H 64.51 6.74 14.17 22.34 92.35 50.43 -65.06 -40.61 0.86 0.00 99.14 0.19 0.06 0.48 99.18 0.09 0.00 0.00 0.00 10 V H H 80.26 3.54 16.15 20.27 91.86 50.05 -64.86 -41.22 0.77 0.00 99.23 0.12 0.06 0.48 99.25 0.09 0.00 0.00 0.00 11 T H H 80.25 1.59 17.74 18.01 92.19 49.77 -64.69 -41.71 0.70 0.00 99.29 0.12 0.05 0.43 99.28 0.11 0.00 0.00 0.00 12 L H H 84.69 3.24 16.67 20.23 91.94 49.46 -64.96 -41.66 0.59 0.00 99.41 0.10 0.04 0.35 99.34 0.16 0.00 0.00 0.00 13 A H H 42.07 6.20 14.23 22.14 91.67 50.96 -63.50 -41.12 0.74 0.00 99.26 0.13 0.05 0.46 99.17 0.20 0.00 0.00 0.00 14 S H H 59.78 2.52 16.43 19.09 91.64 50.82 -63.93 -40.83 1.05 0.00 98.94 0.14 0.06 0.72 98.81 0.26 0.00 0.00 0.00 15 L H H 96.01 1.93 16.86 18.04 91.97 50.24 -64.89 -41.16 0.80 0.00 99.19 0.09 0.05 0.56 99.04 0.27 0.00 0.00 0.00 16 L H H 80.89 4.69 14.88 20.68 91.90 50.26 -64.68 -40.76 0.63 0.00 99.37 0.07 0.03 0.44 99.07 0.38 0.00 0.00 0.00 17 V H H 75.29 4.15 14.78 20.00 91.84 50.24 -64.64 -41.26 0.66 0.00 99.34 0.05 0.03 0.50 98.83 0.58 0.00 0.00 0.00 18 L H H 95.82 1.80 16.00 17.28 91.91 49.99 -64.59 -40.82 0.73 0.00 99.27 0.06 0.03 0.55 98.41 0.94 0.00 0.00 0.00 19 I H H 89.80 2.78 14.84 18.05 91.93 49.92 -65.58 -40.72 0.90 0.00 99.09 0.06 0.04 0.70 96.83 2.36 0.00 0.00 0.00 20 A H H 47.35 5.88 12.05 19.78 91.68 53.29 -65.28 -36.70 2.69 0.00 97.30 0.10 0.08 2.43 91.99 5.39 0.00 0.00 0.00 21 F H H 134.56 2.26 13.55 16.43 93.07 52.22 -70.26 -29.18 13.69 0.01 86.31 0.23 0.32 13.79 79.60 6.03 0.01 0.00 0.00 22 W H H 172.76 1.79 13.21 15.08 96.03 50.71 -83.02 -19.39 23.10 0.03 76.86 0.90 1.64 20.40 71.59 5.38 0.04 0.01 0.03 23 L H H 86.61 5.75 9.58 17.05 106.42 81.18 -76.47 115.94 39.74 0.58 59.68 15.76 12.16 12.14 33.33 25.98 0.04 0.24 0.35 24 P H G 87.86 3.42 11.96 16.77 101.06 55.42 -69.32 -17.59 40.04 0.54 59.42 20.90 4.90 13.59 28.63 31.44 0.01 0.29 0.24 25 Q H G 120.40 3.42 12.14 16.93 102.71 55.56 -81.83 9.01 40.71 1.09 58.20 21.04 5.99 13.37 26.81 31.73 0.01 0.58 0.47 26 L C C 94.33 6.36 11.07 18.95 103.53 98.24 -84.13 14.02 59.93 1.99 38.08 35.75 12.53 12.06 25.27 12.36 0.02 0.90 1.11 27 N C C 96.56 4.99 12.81 19.19 105.20 72.09 -88.77 73.01 75.55 1.79 22.66 51.99 10.72 12.29 16.64 6.47 0.00 0.86 1.03 28 A C C 62.00 6.04 12.12 19.66 100.30 117.23 -76.83 -23.12 69.93 1.65 28.43 35.02 16.16 19.61 18.72 8.78 0.02 0.72 0.97 29 Y C C 124.41 6.30 12.44 20.10 102.75 62.89 -84.02 -4.98 68.86 2.08 29.06 35.40 15.36 18.99 18.67 9.39 0.03 0.89 1.27 30 S C C 58.62 6.54 12.55 20.50 102.77 69.24 -79.48 -6.46 66.31 1.88 31.81 38.49 13.77 14.46 19.44 11.87 0.01 0.85 1.12 31 E C C 109.07 6.59 12.21 20.10 99.61 65.48 -79.94 -11.69 62.24 1.90 35.87 28.72 14.28 20.07 18.86 16.00 0.04 0.86 1.17 32 K C C 133.44 4.19 13.21 18.81 98.88 66.71 -77.87 -19.34 67.01 1.99 31.00 27.01 16.12 24.82 15.66 14.19 0.06 0.90 1.24 33 T C C 86.09 4.62 13.53 19.37 102.38 53.52 -94.12 -2.56 76.20 2.54 21.26 32.49 23.80 21.04 10.35 9.49 0.04 1.02 1.76 34 S C C 41.60 8.93 11.76 22.26 116.74 88.76 -104.12 133.88 95.38 2.48 2.14 58.09 34.91 2.34 1.12 0.87 0.00 0.82 1.84 35 P C T 75.96 7.00 13.90 22.29 95.76 -142.16 -66.73 -18.58 83.67 1.33 15.00 24.82 21.37 38.41 4.64 9.28 0.01 0.59 0.87 36 Y C T 114.21 8.63 12.87 22.40 101.45 58.13 -88.36 3.07 74.60 5.69 19.71 23.42 17.21 35.22 5.90 12.31 0.10 2.71 3.13 37 E C T 103.46 6.97 14.02 22.09 103.13 80.61 -77.55 0.05 65.15 8.16 26.68 22.49 16.43 27.78 5.88 19.05 0.14 3.78 4.45 38 C C T 71.25 7.59 13.44 22.02 99.13 42.17 -86.68 8.39 76.40 2.89 20.72 11.12 13.54 51.12 4.14 16.84 0.03 1.56 1.65 39 G C T 45.39 5.58 15.07 21.81 99.36 -95.61 84.24 5.14 87.51 3.17 9.32 24.07 21.22 42.34 1.50 7.83 0.00 1.63 1.41 40 F C C 88.86 9.09 11.45 22.02 116.49 131.21 -92.51 137.03 85.89 12.33 1.77 59.75 22.01 3.17 0.69 1.11 0.00 4.22 9.04 41 D C C 84.65 5.33 13.74 20.57 110.56 -129.95 -91.17 116.64 94.55 4.78 0.66 82.39 10.41 1.57 0.24 0.43 0.00 2.58 2.38 42 P C T 82.29 7.50 10.72 19.81 98.49 -156.48 -69.38 -13.07 91.97 1.83 6.20 35.55 17.87 38.76 1.17 4.94 0.00 0.98 0.73 43 M C T 133.12 2.79 11.28 15.11 102.54 69.11 -87.69 12.98 89.91 2.42 7.67 23.30 22.17 44.59 1.81 5.62 0.00 1.16 1.35 44 G C C 49.53 3.61 10.94 16.03 110.28 -45.38 90.87 0.34 85.48 2.52 12.00 36.78 27.27 21.48 2.39 9.45 0.00 1.12 1.52 45 S C C 78.68 3.58 10.77 15.85 107.11 -7.03 -88.53 36.27 71.73 2.51 25.77 36.45 15.77 19.54 4.09 21.69 0.00 1.23 1.22 46 A C C 68.71 5.19 9.83 16.75 112.65 83.21 -86.32 129.49 70.81 3.15 26.03 30.24 18.57 22.83 3.88 21.48 0.02 1.58 1.41 47 R C C 159.56 3.39 11.44 16.63 114.56 -148.37 -95.24 128.16 73.00 4.42 22.58 40.01 18.14 15.12 4.46 17.91 0.02 2.14 2.20 48 L C C 84.71 7.45 9.59 18.60 117.00 -148.26 -99.85 132.18 90.61 2.58 6.81 57.66 29.88 3.16 4.70 1.95 0.00 0.91 1.75 49 P C C 92.98 3.35 12.93 17.57 103.70 -118.44 -67.76 110.19 79.90 1.71 18.40 42.35 17.19 20.83 12.33 5.59 0.01 0.79 0.91 50 F C C 122.96 5.65 11.17 18.17 108.09 29.33 -92.72 91.76 72.23 2.74 25.03 36.73 15.22 20.98 17.83 6.41 0.03 1.14 1.65 51 S C C 51.78 6.37 11.56 19.58 108.45 98.47 -79.40 134.34 59.04 1.83 39.13 44.89 6.57 7.37 34.90 4.44 0.01 0.78 1.04 52 M H H 118.89 2.71 13.44 17.01 94.06 -112.25 -65.06 -34.31 12.67 0.15 87.18 4.63 2.65 6.10 84.19 2.26 0.02 0.06 0.08 53 K H H 115.05 3.78 14.84 19.62 92.49 56.47 -65.10 -39.34 5.48 0.05 94.47 1.47 0.72 3.29 92.90 1.57 0.01 0.02 0.02 54 F H H 73.52 9.63 13.31 24.09 92.31 51.26 -64.96 -40.99 1.15 0.01 98.84 0.30 0.12 0.64 98.28 0.65 0.00 0.00 0.00 55 F H H 103.26 5.01 16.16 22.21 92.17 50.94 -64.47 -40.94 0.29 0.00 99.71 0.07 0.02 0.15 99.60 0.15 0.00 0.00 0.00 56 L H H 87.17 3.18 18.02 21.25 91.96 49.96 -64.96 -41.22 0.22 0.00 99.78 0.04 0.01 0.13 99.73 0.08 0.00 0.00 0.00 57 V H H 53.62 8.08 16.84 26.07 92.14 49.83 -64.80 -42.00 0.15 0.00 99.85 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 58 A H H 33.59 9.40 16.03 26.77 91.64 51.39 -63.43 -41.34 0.13 0.00 99.86 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 59 I H H 87.99 3.29 19.75 22.89 91.97 49.45 -64.63 -41.58 0.19 0.00 99.81 0.02 0.00 0.12 99.80 0.05 0.00 0.00 0.00 60 T H H 55.21 5.66 18.24 24.70 91.72 50.03 -64.80 -41.59 0.29 0.00 99.71 0.02 0.01 0.20 99.69 0.07 0.00 0.00 0.00 61 F H H 67.12 11.29 16.51 28.41 92.00 50.60 -64.31 -41.41 0.25 0.00 99.75 0.02 0.01 0.19 99.69 0.10 0.00 0.00 0.00 62 L H H 76.37 6.58 18.17 25.26 91.81 51.00 -63.90 -41.14 0.22 0.00 99.78 0.01 0.01 0.17 99.67 0.14 0.00 0.00 0.00 63 L H H 88.37 2.90 19.63 22.12 91.89 49.74 -64.75 -41.60 0.42 0.00 99.58 0.03 0.02 0.34 99.38 0.23 0.00 0.00 0.00 64 F H H 70.81 8.87 17.19 27.08 91.99 49.49 -65.14 -41.17 0.77 0.00 99.23 0.07 0.04 0.59 99.05 0.25 0.00 0.00 0.00 65 D H H 50.75 10.96 16.20 27.88 91.80 51.33 -64.34 -40.89 0.74 0.00 99.26 0.10 0.04 0.49 99.10 0.27 0.00 0.00 0.00 66 L H H 88.33 3.43 19.16 22.38 91.93 50.27 -64.61 -40.80 0.66 0.00 99.34 0.05 0.03 0.49 98.97 0.45 0.00 0.00 0.00 67 E H H 87.00 4.93 18.28 23.82 92.18 50.19 -65.48 -40.36 1.07 0.00 98.93 0.08 0.05 0.83 98.32 0.72 0.00 0.00 0.00 68 I H H 48.14 11.71 15.14 27.78 92.20 50.03 -65.72 -40.10 1.36 0.00 98.64 0.08 0.06 1.09 97.14 1.62 0.00 0.00 0.00 69 A H H 48.82 8.12 15.32 24.46 91.50 53.80 -65.12 -36.01 3.04 0.01 96.95 0.14 0.13 2.63 92.07 5.02 0.00 0.00 0.00 70 L H H 110.62 2.53 17.24 19.91 92.94 52.04 -73.43 -26.07 13.48 0.01 86.50 0.26 0.41 13.32 80.35 5.62 0.02 0.00 0.01 71 L H H 86.42 6.77 14.77 22.53 96.54 51.77 -83.73 -16.21 27.38 0.09 72.52 1.25 2.07 24.20 67.51 4.76 0.09 0.04 0.08 72 L C T 71.09 10.90 12.63 24.07 110.92 87.04 -79.14 122.86 69.22 1.23 29.55 14.22 27.32 28.35 22.82 5.84 0.08 0.46 0.91 73 P C C 72.90 6.23 14.72 22.01 102.33 50.39 -72.33 38.89 67.04 0.77 32.19 30.77 10.26 26.87 22.60 8.61 0.01 0.34 0.52 74 L H H 87.12 6.70 13.87 21.70 102.20 83.36 -70.76 -39.03 38.13 0.61 61.27 15.46 8.75 13.98 40.92 20.21 0.04 0.27 0.36 75 P H H 75.35 4.89 14.61 20.57 96.76 50.16 -67.15 -30.35 33.86 0.51 65.63 12.79 4.94 14.99 44.15 22.56 0.03 0.27 0.25 76 W H H 135.41 5.93 13.78 20.89 96.36 54.49 -70.40 -30.81 25.52 0.72 73.76 8.07 4.32 12.09 47.25 27.51 0.08 0.40 0.29 77 A H H 51.79 8.31 11.76 21.34 95.80 62.94 -69.80 -29.50 32.89 1.49 65.63 12.64 6.72 13.80 45.02 20.27 0.13 0.80 0.62 78 S C H 71.15 4.21 13.81 19.14 97.96 60.37 -75.69 -17.01 49.40 2.40 48.19 19.58 10.14 20.51 31.50 15.72 0.15 1.24 1.17 79 Q C C 118.72 3.86 12.89 18.00 100.36 63.47 -85.07 -7.77 64.67 2.65 32.68 32.37 14.53 18.50 22.24 9.75 0.05 1.27 1.29 80 T C C 72.98 6.99 10.64 19.05 110.48 80.55 -96.80 110.51 75.62 2.68 21.71 44.06 15.44 15.97 16.41 5.51 0.02 1.27 1.33 81 N C C 111.71 3.39 12.17 17.07 105.39 135.19 -93.74 36.69 81.76 1.52 16.72 47.29 18.69 15.56 12.70 4.25 0.00 0.66 0.85 82 N C C 87.01 4.48 11.48 17.41 111.95 115.85 -91.30 145.39 65.52 1.17 33.31 37.67 17.26 10.49 30.01 3.49 0.01 0.42 0.65 83 L H H 116.75 2.35 12.30 15.64 94.07 -114.73 -64.71 -35.10 19.47 0.22 80.31 6.73 4.07 9.48 75.62 3.86 0.04 0.10 0.11 84 K H H 125.48 2.54 14.37 17.44 92.58 54.13 -66.41 -38.11 13.87 0.20 85.94 4.79 2.15 7.31 81.64 3.90 0.03 0.11 0.08 85 T H H 44.80 8.26 12.28 22.14 92.48 51.10 -66.70 -39.33 9.77 0.16 90.07 4.22 1.38 4.47 86.61 3.14 0.01 0.09 0.06 86 M H H 91.49 4.76 15.23 21.20 92.01 52.43 -64.59 -40.99 2.75 0.02 97.23 0.95 0.37 1.32 96.61 0.74 0.00 0.01 0.01 87 L H H 94.09 2.30 17.79 19.61 92.23 50.19 -64.75 -41.54 0.96 0.01 99.03 0.32 0.09 0.47 98.80 0.32 0.00 0.00 0.00 88 T H H 56.15 5.89 16.67 23.60 92.20 49.74 -64.89 -41.65 0.63 0.00 99.36 0.18 0.04 0.34 99.17 0.26 0.00 0.00 0.00 89 M H H 66.66 8.77 15.78 25.69 91.94 50.21 -64.37 -40.94 0.34 0.00 99.66 0.07 0.02 0.19 99.56 0.16 0.00 0.00 0.00 90 A H H 53.59 3.76 17.93 22.14 91.82 51.26 -64.07 -41.24 0.21 0.00 99.79 0.03 0.01 0.13 99.76 0.07 0.00 0.00 0.00 91 L H H 87.65 3.18 18.60 21.73 91.95 50.23 -64.87 -41.40 0.14 0.00 99.86 0.01 0.01 0.10 99.84 0.05 0.00 0.00 0.00 92 F H H 81.29 8.01 16.64 25.37 92.01 50.34 -64.76 -41.64 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 93 L H H 73.79 6.61 17.39 25.06 91.75 50.43 -64.17 -41.56 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 94 L H H 90.53 3.25 18.97 22.09 91.93 50.55 -64.80 -41.54 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 95 I H H 80.20 5.39 18.23 24.10 92.07 49.43 -65.27 -41.78 0.22 0.00 99.78 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 96 L H H 65.37 8.84 17.22 26.74 91.88 49.42 -64.71 -41.49 0.49 0.00 99.50 0.04 0.02 0.39 99.37 0.17 0.00 0.00 0.00 97 L H H 81.14 5.34 18.92 24.91 91.91 49.49 -64.81 -41.18 1.16 0.00 98.83 0.08 0.06 0.96 98.60 0.30 0.00 0.00 0.00 98 A H H 55.13 3.67 19.45 23.29 91.87 50.54 -64.79 -41.47 1.77 0.01 98.23 0.16 0.12 1.38 97.89 0.44 0.00 0.00 0.00 99 A H H 43.46 6.61 18.32 25.69 91.97 50.24 -64.61 -41.34 2.01 0.01 97.98 0.23 0.17 1.46 97.56 0.57 0.00 0.00 0.00 100 S H H 37.65 8.07 17.31 26.69 91.85 51.28 -64.15 -41.48 2.18 0.01 97.82 0.34 0.20 1.49 97.33 0.64 0.00 0.00 0.00 101 L H H 81.53 4.49 19.24 24.12 91.95 50.45 -64.62 -41.26 1.43 0.00 98.57 0.20 0.12 0.98 98.14 0.56 0.00 0.00 0.00 102 A H H 50.76 4.07 18.28 22.99 91.63 50.94 -63.51 -42.13 1.00 0.01 99.00 0.15 0.08 0.66 98.58 0.51 0.00 0.00 0.00 103 Y H H 95.53 6.06 17.18 23.97 92.11 49.86 -64.90 -41.62 1.02 0.01 98.97 0.14 0.09 0.71 98.43 0.61 0.00 0.01 0.00 104 E H H 67.57 6.55 15.24 23.36 91.86 50.33 -63.90 -41.24 1.39 0.02 98.59 0.20 0.12 0.99 97.93 0.74 0.00 0.01 0.00 105 W H H 126.72 3.84 14.95 19.84 92.39 49.69 -65.02 -40.99 2.47 0.02 97.51 0.36 0.23 1.77 96.66 0.95 0.01 0.01 0.00 106 T H H 78.45 3.51 14.37 18.66 93.19 48.30 -67.89 -38.84 6.17 0.04 93.79 0.75 0.56 4.71 92.87 1.06 0.02 0.02 0.02 107 Q H H 109.45 3.58 13.47 17.92 94.91 46.86 -75.49 -31.60 18.43 0.07 81.50 1.35 1.71 15.32 79.98 1.52 0.05 0.03 0.05 108 K H H 129.05 2.99 12.70 16.61 98.14 41.27 -84.06 -7.49 45.11 0.33 54.56 4.31 6.18 34.41 52.64 2.06 0.08 0.12 0.22 109 G C T 41.85 4.41 11.34 17.35 102.37 58.86 -2.00 -13.34 69.38 1.39 29.23 24.92 12.33 33.10 19.00 9.19 0.03 0.66 0.76 110 L C C 107.32 4.40 10.04 15.98 101.86 60.50 -80.60 6.90 63.47 4.36 32.16 32.29 13.34 18.68 16.97 14.53 0.07 2.51 1.62 111 E C C 129.83 2.53 10.99 14.83 104.69 106.19 -87.61 37.81 63.00 7.37 29.63 39.49 10.47 13.32 15.41 14.21 0.04 5.16 1.90 112 W C C 159.99 4.77 7.73 14.23 105.96 117.82 -85.81 39.35 68.10 7.48 24.43 43.28 10.70 14.33 12.66 11.66 0.02 5.46 1.90 113 A C C 78.67 3.06 8.74 13.55 109.40 103.51 -91.84 116.51 83.08 4.15 12.77 72.06 1.96 10.88 6.79 4.01 0.00 3.15 1.15 114 E C C 141.30 2.78 11.38 15.83 110.08 -133.47 -85.31 119.67 99.85 0.11 0.03 99.77 0.08 0.06 0.02 0.00 0.00 0.07 0.01