# 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 103.27 5.84 10.56 18.02 115.47 -136.78 -83.58 143.79 99.98 0.01 0.01 99.92 0.06 0.02 0.00 0.00 0.00 0.00 0.00 1 S C C 67.43 3.28 10.50 15.21 112.08 -108.62 -75.43 153.89 84.16 0.34 15.50 79.78 0.80 4.20 13.79 1.07 0.00 0.11 0.26 2 S H H 74.76 2.68 10.22 14.23 96.95 -111.10 -67.46 -34.78 42.16 0.32 57.52 26.06 8.13 8.37 54.01 3.13 0.00 0.11 0.18 3 N H H 96.89 3.50 10.74 15.69 94.29 54.83 -67.02 -37.32 16.00 0.15 83.85 7.57 3.32 5.89 78.73 4.36 0.01 0.07 0.06 4 E H H 113.62 2.54 12.05 15.67 92.83 52.56 -66.52 -38.69 8.91 0.11 90.99 4.36 1.54 3.39 86.19 4.42 0.00 0.06 0.04 5 E H H 105.03 2.53 13.16 16.51 92.47 51.89 -66.14 -39.34 7.39 0.11 92.50 3.68 1.18 2.84 88.00 4.20 0.00 0.06 0.03 6 V H H 70.24 4.92 12.48 19.07 92.83 50.93 -66.87 -39.38 9.20 0.15 90.65 4.00 1.43 4.06 86.40 3.97 0.01 0.08 0.05 7 F H H 105.83 5.16 12.92 19.55 92.90 52.26 -67.41 -36.81 15.48 0.23 84.28 6.28 2.49 7.32 79.93 3.75 0.02 0.12 0.10 8 T H H 83.10 2.92 14.35 18.06 93.62 53.90 -69.69 -32.89 28.10 0.40 71.51 12.36 5.23 11.20 67.72 3.11 0.02 0.17 0.19 9 Q C H 109.52 3.47 13.80 18.39 97.10 53.73 -78.26 -22.45 50.96 0.68 48.36 28.92 8.09 13.79 45.27 3.32 0.01 0.29 0.32 10 I C C 83.44 8.03 11.35 20.57 98.68 70.29 -78.01 -25.40 61.67 1.46 36.87 37.27 9.15 14.58 34.08 3.59 0.01 0.70 0.62 11 N C C 100.70 3.95 13.80 19.06 100.60 60.75 -82.33 -9.39 72.19 2.60 25.21 43.60 15.89 12.06 23.09 2.91 0.01 1.00 1.43 12 A C C 54.77 6.45 12.19 20.19 101.06 71.32 -84.42 5.72 82.13 0.60 17.27 67.83 8.04 4.29 17.92 1.38 0.00 0.22 0.31 13 T H H 78.30 4.60 13.61 19.62 95.03 94.96 -63.30 -39.63 15.91 0.07 84.01 10.24 2.37 3.05 83.18 1.10 0.00 0.03 0.03 14 A H H 68.74 2.29 15.85 18.14 92.81 50.89 -65.18 -39.75 4.88 0.02 95.09 1.62 0.68 2.43 94.02 1.23 0.00 0.01 0.01 15 N H H 74.69 5.04 15.19 21.44 92.71 50.14 -66.68 -39.16 3.27 0.03 96.71 1.29 0.41 1.54 95.26 1.47 0.00 0.01 0.01 16 V H H 55.58 8.13 14.48 23.89 92.35 50.95 -64.65 -41.71 1.84 0.02 98.14 0.71 0.23 0.83 97.48 0.73 0.00 0.01 0.00 17 V H H 75.49 3.34 17.78 21.29 92.08 50.18 -64.18 -41.80 1.41 0.01 98.58 0.50 0.17 0.66 98.36 0.31 0.00 0.00 0.00 18 D H H 76.16 2.69 18.30 20.81 91.76 49.84 -64.43 -41.60 1.39 0.00 98.61 0.39 0.14 0.72 98.54 0.21 0.00 0.00 0.00 19 N H H 56.27 8.38 16.13 25.62 92.22 49.89 -64.95 -40.67 1.44 0.00 98.55 0.32 0.12 0.81 98.56 0.18 0.00 0.00 0.00 20 K H H 96.44 7.68 17.54 25.96 91.73 51.41 -63.86 -40.82 0.81 0.00 99.18 0.16 0.06 0.44 99.21 0.13 0.00 0.00 0.00 21 K H H 119.96 2.77 19.73 22.07 92.15 50.11 -64.93 -40.97 0.75 0.00 99.25 0.13 0.05 0.40 99.30 0.11 0.00 0.00 0.00 22 R H H 115.33 4.48 19.36 24.17 91.75 49.35 -64.53 -41.50 0.57 0.00 99.43 0.09 0.03 0.32 99.46 0.10 0.00 0.00 0.00 23 L H H 50.98 11.61 16.80 29.07 91.88 49.49 -64.45 -41.34 0.38 0.00 99.62 0.05 0.02 0.23 99.60 0.10 0.00 0.00 0.00 24 L H H 72.66 8.18 18.71 27.68 91.75 51.10 -63.43 -41.24 0.59 0.00 99.40 0.06 0.02 0.43 99.36 0.14 0.00 0.00 0.00 25 F H H 120.05 2.64 21.53 23.35 91.88 49.41 -65.12 -41.31 0.92 0.00 99.08 0.06 0.04 0.71 99.05 0.13 0.00 0.00 0.00 26 V H H 58.38 7.39 20.49 28.25 91.89 49.13 -64.82 -42.37 0.49 0.00 99.51 0.06 0.03 0.31 99.51 0.08 0.00 0.00 0.00 27 Q H H 49.01 15.27 18.55 33.48 91.80 50.62 -63.63 -41.72 0.31 0.00 99.69 0.03 0.02 0.20 99.68 0.08 0.00 0.00 0.00 28 D H H 66.02 8.43 21.43 30.15 91.89 49.98 -64.28 -41.36 0.33 0.00 99.67 0.03 0.02 0.23 99.63 0.09 0.00 0.00 0.00 29 S H H 59.65 3.14 24.32 26.55 91.76 48.76 -64.82 -41.59 0.46 0.00 99.54 0.04 0.02 0.33 99.49 0.12 0.00 0.00 0.00 30 S H H 30.37 11.24 21.27 32.89 91.93 49.19 -65.31 -41.48 0.59 0.00 99.41 0.06 0.04 0.41 99.37 0.13 0.00 0.00 0.00 31 A H H 18.08 17.88 19.00 36.51 91.58 51.76 -63.37 -41.52 0.41 0.00 99.59 0.04 0.02 0.27 99.55 0.12 0.00 0.00 0.00 32 L H H 83.49 6.24 23.98 30.33 91.68 50.73 -64.36 -41.88 0.37 0.00 99.63 0.03 0.02 0.27 99.54 0.13 0.00 0.00 0.00 33 V H H 79.64 4.01 25.78 29.46 91.64 48.55 -64.44 -42.61 0.27 0.00 99.73 0.02 0.01 0.20 99.68 0.09 0.00 0.00 0.00 34 L H H 34.71 15.63 21.77 37.15 92.01 49.03 -64.63 -42.02 0.21 0.00 99.79 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 35 G H H 14.71 16.68 19.79 36.15 91.62 51.65 -63.08 -42.34 0.29 0.00 99.71 0.02 0.01 0.21 99.68 0.08 0.00 0.00 0.00 36 L H H 86.70 3.96 25.36 28.79 91.58 49.34 -64.05 -42.59 0.38 0.00 99.62 0.02 0.01 0.29 99.56 0.12 0.00 0.00 0.00 37 V H H 56.91 6.75 23.68 30.87 91.76 48.47 -64.51 -42.28 0.58 0.00 99.42 0.03 0.03 0.44 99.26 0.23 0.00 0.00 0.00 38 A H H 7.98 18.98 16.11 35.77 91.30 51.39 -63.09 -41.79 1.26 0.00 98.73 0.08 0.07 1.00 97.80 1.05 0.00 0.00 0.00 39 G H H 29.72 9.70 18.11 28.46 91.74 51.71 -63.74 -40.50 5.24 0.00 94.76 0.13 0.14 5.19 92.36 2.17 0.01 0.00 0.00 40 F H H 140.95 2.32 19.97 21.93 91.43 51.79 -66.64 -34.17 14.14 0.01 85.84 0.26 0.50 14.24 83.03 1.94 0.02 0.00 0.01 41 L C T 76.17 8.06 15.59 24.89 93.62 51.14 -87.94 0.52 76.11 0.10 23.80 0.95 3.71 70.52 22.21 2.43 0.01 0.03 0.12 42 Q C T 124.81 3.62 20.28 24.44 94.36 -118.78 63.10 39.05 99.40 0.01 0.58 5.36 1.57 92.69 0.25 0.12 0.00 0.01 0.00 43 I C C 32.01 18.07 9.91 27.74 109.98 167.74 -85.24 113.56 99.10 0.61 0.29 98.44 0.57 0.30 0.13 0.05 0.00 0.21 0.30 44 E C C 126.52 3.90 17.87 22.71 105.02 164.80 -108.01 -5.93 99.10 0.75 0.16 90.99 7.58 0.47 0.08 0.05 0.00 0.22 0.61 45 S C S 53.64 3.98 18.54 22.74 131.88 44.99 -126.87 171.01 88.41 7.22 4.38 13.26 73.95 0.91 4.30 0.16 0.01 0.63 6.77 46 V H H 100.58 4.70 15.12 21.24 92.35 -91.03 -62.60 -36.18 1.75 0.00 98.25 0.10 0.24 1.29 98.10 0.27 0.00 0.00 0.00 47 H H H 121.43 2.15 18.46 20.34 91.51 54.01 -64.05 -40.17 0.63 0.00 99.37 0.03 0.03 0.49 99.22 0.22 0.00 0.00 0.00 48 G H H 8.28 13.89 13.69 29.23 91.28 51.34 -63.31 -41.56 0.14 0.00 99.86 0.01 0.01 0.10 99.73 0.15 0.00 0.00 0.00 49 F H H 61.64 13.21 16.03 29.68 91.84 51.78 -63.52 -41.78 0.03 0.00 99.96 0.00 0.00 0.02 99.95 0.03 0.00 0.00 0.00 50 I H H 96.21 2.39 21.75 23.06 91.38 50.28 -63.67 -41.95 0.02 0.00 99.98 0.00 0.00 0.01 99.97 0.01 0.00 0.00 0.00 51 W H H 113.54 5.30 20.65 26.44 91.58 49.28 -64.41 -41.96 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 52 F H H 21.24 19.42 15.75 35.24 91.58 50.09 -63.63 -42.81 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 53 L H H 65.69 10.32 19.85 30.60 91.57 50.35 -63.10 -41.93 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 54 I H H 98.77 1.99 23.31 23.51 91.60 48.99 -64.25 -42.31 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 55 L H H 45.49 10.14 19.62 30.83 91.93 49.01 -65.00 -41.86 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 56 Y H H 35.51 18.66 17.07 35.33 91.89 50.37 -63.87 -42.10 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 57 N H H 74.94 6.97 21.38 28.82 91.90 50.44 -64.19 -41.56 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 58 L H H 92.02 2.88 23.20 25.16 92.03 48.51 -65.69 -41.71 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 59 I H H 36.15 12.72 19.54 32.95 92.32 48.81 -65.44 -42.13 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 60 N H H 27.10 16.60 17.76 34.45 91.80 51.67 -63.41 -42.00 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 61 V H H 72.17 5.73 21.57 27.77 91.83 50.78 -64.01 -41.29 0.19 0.00 99.81 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 62 I H H 80.61 4.47 21.62 26.18 91.77 50.00 -64.48 -42.44 0.21 0.00 99.79 0.01 0.01 0.15 99.73 0.09 0.00 0.00 0.00 63 Y H H 51.75 13.28 18.40 32.24 92.08 49.31 -64.47 -42.53 0.33 0.00 99.67 0.02 0.01 0.26 99.55 0.15 0.00 0.00 0.00 64 I H H 39.40 13.78 16.91 31.23 92.39 49.53 -64.51 -41.90 0.61 0.00 99.38 0.03 0.03 0.54 99.10 0.29 0.00 0.00 0.00 65 V H H 71.03 5.16 18.07 24.13 92.13 50.01 -65.14 -41.42 2.16 0.01 97.83 0.08 0.12 2.02 97.05 0.71 0.01 0.00 0.00 66 W H H 133.77 4.57 18.24 23.26 93.73 45.65 -69.50 -40.48 5.93 0.01 94.05 0.14 0.27 5.86 92.83 0.86 0.02 0.00 0.01 67 I H H 64.14 10.77 15.29 26.76 96.68 41.60 -78.14 -33.82 16.79 0.04 83.17 0.39 1.22 15.42 82.01 0.86 0.06 0.01 0.03 68 C C H 37.31 11.56 11.78 24.46 98.20 40.88 -94.66 -4.02 59.18 0.80 40.03 7.89 15.52 35.02 38.67 1.96 0.09 0.21 0.64 69 Q C T 135.79 2.33 16.96 19.70 95.44 -127.71 56.70 37.68 92.54 0.33 7.13 18.03 15.53 59.27 4.39 2.39 0.00 0.15 0.23 70 L C T 98.49 8.56 12.95 22.33 94.67 -53.41 66.26 20.58 94.64 0.35 5.02 17.03 34.68 43.56 1.91 2.40 0.00 0.14 0.28 71 Q C C 94.93 4.05 17.45 22.26 106.88 134.88 -106.58 89.78 99.17 0.16 0.67 93.25 5.18 0.79 0.36 0.20 0.00 0.05 0.15 72 P H G 45.41 16.28 10.38 26.24 94.12 -171.33 -61.91 -31.47 15.72 0.13 84.15 5.01 1.71 7.97 28.52 56.66 0.00 0.09 0.04 73 G H G 46.22 5.36 15.63 22.36 91.69 64.78 -67.62 -19.63 7.81 0.04 92.16 0.81 0.61 5.81 31.54 61.20 0.00 0.02 0.01 74 K H G 135.71 2.61 17.89 20.58 93.54 61.91 -76.01 -22.43 7.58 0.04 92.38 0.79 0.67 5.46 34.81 58.24 0.00 0.03 0.01 75 F H G 62.97 13.65 13.28 27.09 101.17 39.82 -96.37 -23.22 24.66 0.29 75.06 2.59 3.32 16.60 38.12 39.00 0.07 0.15 0.17 76 Y C C 56.98 15.06 10.19 25.23 120.53 50.01 -120.19 127.59 86.42 6.66 6.92 52.65 27.78 4.44 4.77 1.90 0.01 1.72 6.74 77 Q C C 122.89 3.14 14.31 18.69 108.80 -153.72 -91.34 102.90 95.54 1.36 3.10 66.36 22.94 6.17 1.86 1.20 0.00 0.57 0.91 78 S C S 60.44 3.91 13.39 18.36 122.70 2.84 -112.62 163.49 76.53 0.90 22.57 23.33 38.27 15.54 16.68 5.14 0.02 0.30 0.73 79 P H H 94.20 3.25 12.84 17.17 94.41 -55.37 -66.31 -28.57 48.64 0.22 51.13 7.21 8.08 32.36 37.28 14.73 0.04 0.10 0.21 80 L H H 90.58 4.70 13.06 19.04 94.04 54.96 -70.28 -30.86 34.28 0.30 65.43 6.64 4.25 21.92 48.52 18.26 0.06 0.15 0.20 81 H H H 78.09 8.23 12.30 22.00 93.20 59.30 -66.71 -36.23 17.74 0.33 81.92 6.30 2.91 7.99 62.06 20.40 0.03 0.18 0.14 82 D H H 70.45 6.19 13.87 21.47 93.06 55.64 -66.14 -34.77 16.67 0.30 83.03 4.31 2.34 9.10 63.30 20.61 0.05 0.17 0.12 83 I H H 86.55 5.51 15.14 21.83 93.64 51.21 -69.41 -35.84 18.99 0.38 80.63 3.02 2.48 12.32 62.21 19.46 0.12 0.22 0.16 84 F H H 103.87 6.77 14.97 22.69 96.50 44.30 -78.47 -32.67 34.00 0.88 65.12 4.34 5.90 23.10 51.92 13.14 0.61 0.46 0.52 85 F C H 85.02 9.35 12.84 23.23 101.11 42.27 -98.12 0.91 58.85 2.34 38.80 15.22 17.13 28.49 29.78 6.59 0.28 0.92 1.57 86 E C T 112.41 4.79 14.69 20.77 103.39 104.45 -59.36 14.21 61.35 0.79 37.85 9.04 10.41 41.57 30.94 7.03 0.12 0.35 0.54 87 S C T 61.88 5.37 15.64 21.97 96.69 23.79 -40.08 -16.70 57.61 0.38 42.01 8.16 8.03 41.06 35.60 6.63 0.07 0.16 0.29 88 F H H 76.18 10.38 14.01 25.33 93.98 88.35 -66.85 -37.65 31.21 0.48 68.31 9.33 5.47 17.55 58.97 8.04 0.13 0.23 0.28 89 F H H 87.26 10.27 15.23 26.01 93.12 52.42 -66.85 -38.28 16.60 0.28 83.12 4.36 2.73 9.74 72.31 10.48 0.09 0.16 0.13 90 R H H 143.49 3.16 18.93 22.28 93.15 51.14 -66.76 -37.43 16.53 0.13 83.33 2.02 1.94 11.89 72.66 11.27 0.08 0.07 0.07 91 E H H 87.89 6.44 18.19 25.26 93.25 49.16 -69.27 -37.97 20.87 0.11 79.02 2.23 1.98 15.94 70.59 9.08 0.07 0.05 0.06 92 I H H 47.21 13.18 16.80 30.32 93.08 51.04 -65.39 -41.78 10.66 0.09 89.25 3.02 1.63 6.20 85.92 3.12 0.02 0.04 0.04 93 T H H 53.87 9.11 18.69 28.56 92.05 52.38 -63.37 -41.04 3.71 0.02 96.28 1.03 0.37 2.08 95.46 1.04 0.00 0.01 0.01 94 G H H 33.34 4.25 20.34 24.83 91.68 51.62 -63.98 -40.89 1.66 0.01 98.34 0.34 0.15 1.01 97.82 0.68 0.00 0.00 0.00 95 F H H 81.71 8.71 19.31 28.42 92.48 50.25 -65.85 -41.38 0.53 0.00 99.46 0.09 0.04 0.32 99.17 0.36 0.00 0.00 0.00 96 V H H 40.17 13.58 17.69 31.60 92.11 49.17 -64.34 -42.77 0.28 0.00 99.72 0.04 0.02 0.18 99.58 0.19 0.00 0.00 0.00 97 M H H 89.62 6.04 19.94 26.48 91.92 50.07 -63.72 -41.51 0.31 0.00 99.69 0.03 0.02 0.23 99.54 0.19 0.00 0.00 0.00 98 A H H 55.43 3.85 20.28 24.20 91.90 50.74 -64.45 -42.15 0.64 0.00 99.36 0.04 0.03 0.57 99.08 0.29 0.00 0.00 0.00 99 W H H 88.57 10.28 18.05 28.71 92.36 49.64 -65.38 -41.93 1.44 0.00 98.56 0.06 0.06 1.38 98.07 0.42 0.00 0.00 0.00 100 T H H 39.91 11.50 16.48 28.83 92.16 49.23 -64.55 -42.15 1.34 0.00 98.66 0.09 0.09 1.10 98.11 0.60 0.00 0.00 0.00 101 F H H 114.85 3.17 19.07 22.25 92.11 49.67 -64.60 -41.33 1.50 0.00 98.50 0.15 0.10 1.16 97.16 1.42 0.00 0.00 0.00 102 G H H 33.68 4.59 16.52 22.18 92.38 51.16 -65.12 -41.24 3.02 0.01 96.97 0.33 0.20 2.36 95.01 2.09 0.00 0.00 0.00 103 Y H H 93.97 9.16 13.69 23.63 93.01 50.23 -66.34 -39.18 5.37 0.02 94.62 0.59 0.44 4.18 91.50 3.27 0.01 0.01 0.01 104 A H H 60.33 6.06 13.00 20.25 93.01 53.26 -67.13 -33.63 14.31 0.05 85.63 1.41 1.12 11.52 81.89 3.98 0.02 0.02 0.03 105 L H H 120.16 1.93 13.24 15.76 94.53 53.01 -72.27 -27.95 29.71 0.27 70.02 4.34 2.98 22.36 66.67 3.30 0.06 0.12 0.16 106 I H H 107.59 4.52 10.59 16.56 99.72 55.05 -84.10 -7.46 48.72 1.55 49.73 26.04 2.81 20.33 47.38 1.89 0.02 0.56 0.97 107 G C C 48.57 4.43 13.72 19.45 108.90 -130.97 76.34 104.97 99.96 0.03 0.01 99.87 0.05 0.05 0.00 0.00 0.00 0.02 0.00