# 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 A C C 20.55 19.69 17.15 36.06 117.74 -159.30 -96.03 140.02 99.71 0.27 0.02 99.61 0.15 0.05 0.01 0.00 0.00 0.16 0.02 1 R E E 118.41 7.81 21.33 29.82 123.06 -161.60 -115.16 136.64 40.93 58.53 0.53 38.11 1.52 0.39 0.35 0.22 0.00 41.17 18.24 2 I E E 24.35 20.63 13.11 33.28 117.29 -158.36 -111.27 123.96 18.83 79.94 1.23 10.89 4.36 1.46 0.91 0.60 0.02 50.52 31.24 3 A C T 49.72 12.14 15.84 28.55 95.06 -18.55 53.56 43.81 97.71 1.07 1.22 0.83 2.95 94.42 0.12 0.78 0.00 0.65 0.25 4 G C T 58.33 2.39 18.03 20.62 95.09 -50.18 81.82 2.69 99.15 0.25 0.60 0.85 3.47 94.96 0.04 0.47 0.00 0.17 0.05 5 I E E 45.58 14.96 11.27 26.68 120.81 115.31 -104.71 134.73 23.39 76.18 0.44 13.63 8.03 1.74 0.23 0.30 0.01 50.52 25.55 6 N C C 108.75 3.15 20.67 24.24 108.24 -133.18 -88.47 110.13 58.72 41.16 0.12 50.46 6.00 1.17 0.04 0.11 0.00 38.70 3.53 7 I C C 18.40 22.48 9.73 31.29 117.10 -165.65 -100.99 129.26 94.52 5.21 0.28 91.46 2.92 0.32 0.08 0.15 0.00 4.36 0.70 8 P C C 62.57 5.86 18.92 25.61 112.91 -114.46 -67.47 148.93 92.75 1.57 5.68 78.23 5.22 8.39 0.58 6.08 0.00 1.00 0.51 9 D C T 94.84 7.41 15.90 24.31 97.57 -111.67 -69.98 -11.71 88.63 0.63 10.74 8.14 24.37 55.43 0.78 10.66 0.00 0.35 0.27 10 H C T 111.42 8.11 17.85 26.48 101.40 54.04 -91.25 27.27 82.02 5.56 12.42 20.79 15.71 45.85 1.30 11.21 0.01 4.27 0.87 11 K C C 69.13 14.38 17.50 31.69 116.51 131.87 -86.02 141.46 77.03 19.88 3.08 57.25 18.15 1.77 1.47 1.74 0.01 15.21 4.40 12 H E B 58.09 14.26 24.22 37.70 116.14 -122.61 -81.83 141.79 26.95 71.38 1.67 23.84 0.89 0.19 1.54 0.17 0.00 20.70 52.67 13 A H H 2.50 26.52 20.61 47.41 92.70 -126.31 -61.83 -38.77 3.94 0.03 96.03 0.58 0.39 2.82 94.28 1.88 0.01 0.02 0.01 14 V H H 19.14 21.14 23.93 43.85 91.35 56.03 -63.60 -41.45 1.26 0.01 98.72 0.11 0.10 1.01 96.67 2.09 0.01 0.01 0.00 15 I H H 52.66 10.19 27.83 38.87 91.73 50.62 -64.61 -41.39 0.31 0.00 99.69 0.02 0.02 0.25 97.42 2.29 0.00 0.00 0.00 16 A H H 5.71 21.63 23.52 44.70 91.66 51.00 -64.72 -41.96 0.48 0.00 99.52 0.04 0.03 0.36 96.54 3.02 0.00 0.00 0.00 17 L H H 1.96 27.00 20.63 48.00 91.14 51.81 -66.07 -35.66 2.05 0.01 97.94 0.08 0.10 1.88 89.14 8.79 0.01 0.01 0.00 18 T H H 47.04 15.15 22.74 37.23 91.11 61.29 -69.58 -21.82 21.40 0.04 78.56 0.34 0.63 21.03 67.91 10.01 0.04 0.02 0.03 19 S C T 48.25 10.92 23.45 34.95 92.51 60.97 -82.00 -8.27 71.24 0.19 28.57 3.00 3.97 64.48 23.01 5.29 0.02 0.08 0.16 20 I C S 10.96 23.74 15.36 39.35 118.46 93.87 -87.89 137.58 91.32 7.44 1.24 7.32 81.15 1.94 1.02 0.12 0.01 1.06 7.38 21 Y C T 103.47 11.58 23.22 34.53 108.74 -93.41 -66.53 125.75 98.69 0.31 1.01 0.30 8.89 89.94 0.27 0.32 0.00 0.11 0.19 22 G C T 34.82 9.13 22.36 32.06 95.82 14.52 85.87 -3.59 99.61 0.06 0.33 0.57 8.09 91.07 0.10 0.11 0.00 0.03 0.02 23 V C C 8.05 24.23 12.67 36.98 116.98 110.31 -104.97 127.22 87.48 12.21 0.31 62.56 21.13 0.70 0.24 0.09 0.00 2.16 13.12 24 G C C 27.41 6.34 23.89 30.16 126.98 -157.12 -94.50 168.50 99.33 0.44 0.23 98.31 0.99 0.12 0.17 0.02 0.00 0.12 0.26 25 K H H 109.56 12.28 16.38 28.52 92.29 -97.99 -60.01 -37.95 4.29 0.01 95.70 0.57 0.66 2.48 96.00 0.28 0.00 0.00 0.00 26 T H H 91.16 2.09 23.19 24.30 91.85 52.18 -64.51 -41.03 2.36 0.00 97.64 0.30 0.23 1.54 97.67 0.26 0.00 0.00 0.00 27 R H H 76.47 12.78 21.11 33.51 92.17 48.11 -66.52 -40.59 0.44 0.00 99.56 0.10 0.03 0.22 99.51 0.14 0.00 0.00 0.00 28 S H H 2.18 25.88 15.70 42.04 91.06 51.09 -62.74 -43.13 0.09 0.00 99.91 0.02 0.00 0.04 99.92 0.02 0.00 0.00 0.00 29 K H H 98.36 9.78 23.96 33.78 91.26 51.17 -62.99 -41.21 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 30 A H H 46.35 4.82 25.86 30.96 91.53 50.93 -63.79 -42.68 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 31 I H H 6.34 22.40 21.05 43.30 91.63 48.93 -64.32 -44.09 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 32 L H H 5.71 23.99 18.38 42.32 91.42 50.00 -62.86 -43.35 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 A H H 67.62 4.51 23.15 28.17 91.50 50.70 -63.22 -40.82 0.15 0.00 99.85 0.00 0.00 0.12 99.82 0.06 0.00 0.00 0.00 34 A H H 59.44 7.75 20.89 29.30 90.76 52.60 -65.89 -30.79 1.83 0.00 98.17 0.02 0.02 1.96 97.88 0.13 0.00 0.00 0.00 35 A C T 13.91 19.95 15.02 35.14 92.89 49.66 -87.75 -4.57 61.65 0.01 38.34 0.12 0.47 61.80 37.19 0.41 0.00 0.00 0.01 36 G C T 51.78 2.66 23.50 26.27 94.49 -112.38 76.58 21.00 99.90 0.00 0.10 0.77 0.49 98.70 0.03 0.01 0.00 0.00 0.00 37 I C C 12.64 23.40 10.92 33.92 119.94 140.10 -100.55 137.59 99.18 0.74 0.08 96.82 2.20 0.08 0.03 0.02 0.00 0.17 0.67 38 A C C 51.17 4.87 23.32 28.00 116.18 -113.20 -73.24 146.21 99.29 0.52 0.19 98.76 0.48 0.19 0.03 0.08 0.00 0.16 0.29 39 E C T 87.67 16.00 13.58 28.95 92.46 -123.96 -64.11 -26.12 99.39 0.23 0.37 1.05 5.75 92.64 0.03 0.31 0.00 0.13 0.08 40 D C T 114.51 1.72 20.68 21.95 94.67 56.30 -90.74 2.25 99.47 0.26 0.27 1.53 4.67 93.25 0.02 0.29 0.00 0.20 0.03 41 V C C 26.11 15.59 13.09 29.86 116.28 122.29 -72.51 140.77 98.99 0.97 0.04 67.03 31.98 0.14 0.01 0.03 0.00 0.49 0.32 42 K E B 86.51 6.06 24.07 30.38 115.78 -119.93 -78.56 142.84 31.25 68.70 0.05 28.38 0.32 0.01 0.03 0.00 0.00 4.86 66.40 43 I H G 10.02 25.03 12.67 38.06 91.26 -119.41 -58.18 -36.46 6.66 0.06 93.28 0.41 0.49 4.56 0.50 94.00 0.00 0.04 0.00 44 S H G 64.88 8.18 19.68 28.74 89.77 62.77 -68.34 -18.87 6.23 0.02 93.75 0.10 0.26 4.96 0.34 94.32 0.00 0.01 0.00 45 E H G 124.95 3.02 21.27 24.38 93.93 55.37 -92.80 -3.54 7.02 0.03 92.95 0.30 0.57 4.64 0.37 94.10 0.00 0.01 0.00 46 L C C 13.23 23.69 7.58 29.60 118.35 108.53 -75.74 140.99 98.99 0.55 0.46 62.10 36.48 0.27 0.19 0.17 0.00 0.10 0.69 47 S C C 58.94 2.41 21.45 22.56 123.50 -130.62 -84.58 165.94 99.22 0.41 0.38 97.76 1.32 0.07 0.33 0.02 0.00 0.07 0.43 48 E H H 133.92 4.92 13.97 21.04 90.95 -100.54 -58.06 -37.54 1.58 0.00 98.42 0.17 0.23 1.06 98.03 0.52 0.00 0.00 0.00 49 G H H 48.11 1.47 19.09 19.11 91.65 53.28 -63.59 -39.75 0.99 0.00 99.01 0.09 0.08 0.73 98.38 0.72 0.00 0.00 0.00 50 Q H H 48.47 13.35 16.77 30.46 92.21 49.18 -66.93 -39.84 0.38 0.00 99.62 0.07 0.03 0.23 99.10 0.56 0.00 0.00 0.00 51 I H H 12.91 21.04 14.63 35.71 91.42 51.70 -62.81 -43.14 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.08 0.00 0.00 0.00 52 D H H 78.62 3.12 22.96 25.50 91.30 51.01 -63.65 -40.85 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 53 T H H 58.34 5.10 22.10 27.54 91.49 50.39 -64.31 -41.53 0.24 0.00 99.76 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 54 L H H 4.82 24.04 16.03 40.31 91.64 50.16 -64.19 -42.60 0.22 0.00 99.78 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 55 R H H 91.95 13.86 20.00 33.07 91.39 52.43 -61.71 -41.70 0.17 0.00 99.83 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 56 D H H 92.77 1.59 23.50 22.86 91.89 49.78 -64.73 -40.69 0.37 0.00 99.63 0.03 0.01 0.28 99.46 0.22 0.00 0.00 0.00 57 E H H 49.02 11.12 18.72 30.77 92.15 49.51 -65.49 -41.21 0.96 0.00 99.04 0.05 0.04 0.79 98.61 0.51 0.00 0.00 0.00 58 V H H 10.05 22.97 13.12 35.71 91.99 50.79 -66.33 -37.67 3.95 0.01 96.04 0.35 0.26 3.11 94.57 1.70 0.00 0.00 0.00 59 A H H 65.11 6.34 17.57 25.09 90.95 59.61 -68.25 -22.92 35.42 0.05 64.53 1.49 1.27 31.96 62.30 2.90 0.02 0.02 0.04 60 K C T 148.59 1.64 19.25 20.08 94.46 53.42 -84.30 -13.82 62.74 0.12 37.14 3.47 3.38 53.85 35.76 3.40 0.01 0.05 0.08 61 F C C 50.64 17.55 11.10 28.02 115.83 83.82 -96.51 126.85 87.38 2.74 9.88 55.60 22.54 8.84 8.05 2.45 0.01 1.56 0.95 62 V C C 94.60 5.35 19.43 26.15 117.66 -156.68 -104.69 128.44 78.49 19.16 2.35 74.21 2.49 1.68 1.70 0.66 0.00 14.79 4.48 63 V C C 30.94 19.51 10.37 29.10 120.22 -165.21 -109.50 132.35 70.41 27.73 1.85 65.30 3.20 1.10 1.45 0.59 0.00 20.69 7.66 64 E C C 132.82 3.01 18.07 21.98 115.54 -142.95 -96.22 135.40 77.78 16.52 5.70 60.41 11.00 5.74 4.14 1.81 0.02 14.63 2.25 65 G C S 37.45 5.10 16.77 22.98 129.07 44.91 126.57 -174.49 79.38 5.75 14.87 27.48 38.12 14.11 11.70 3.37 0.08 3.55 1.58 66 D C C 84.86 4.51 18.45 23.37 106.75 -42.52 -84.85 101.55 77.31 1.95 20.74 62.29 5.77 7.75 19.71 2.68 0.00 1.06 0.74 67 L H H 32.83 19.01 12.45 31.11 94.53 -168.85 -65.62 -33.92 15.98 0.21 83.81 10.69 2.16 3.87 81.22 1.88 0.00 0.10 0.08 68 R H H 115.94 9.80 17.51 27.84 91.49 57.39 -62.40 -40.99 4.46 0.06 95.49 1.95 0.64 1.91 94.09 1.36 0.00 0.03 0.02 69 R H H 142.19 2.29 20.75 22.47 92.18 49.28 -65.80 -39.96 2.42 0.04 97.53 1.15 0.33 1.02 96.29 1.17 0.00 0.03 0.01 70 E H H 72.86 9.31 19.36 29.30 92.27 49.99 -65.45 -41.29 1.41 0.02 98.56 0.65 0.18 0.60 98.01 0.55 0.00 0.01 0.00 71 I H H 18.85 19.46 16.66 36.05 91.98 49.12 -64.42 -42.83 1.32 0.02 98.66 0.53 0.14 0.61 98.38 0.33 0.00 0.01 0.00 72 S H H 42.94 8.20 20.83 29.66 91.65 51.04 -63.25 -41.89 1.41 0.01 98.58 0.44 0.12 0.71 98.47 0.25 0.00 0.00 0.00 73 M H H 87.20 3.15 23.31 25.77 91.67 50.10 -64.36 -41.48 0.94 0.00 99.05 0.22 0.08 0.53 98.97 0.19 0.00 0.00 0.00 74 S H H 16.75 15.06 19.79 35.33 91.79 50.34 -64.66 -41.75 1.03 0.00 98.97 0.18 0.07 0.66 98.95 0.15 0.00 0.00 0.00 75 I H H 20.49 19.53 18.38 37.56 91.70 50.41 -63.78 -41.97 0.41 0.00 99.59 0.06 0.02 0.25 99.59 0.07 0.00 0.00 0.00 76 K H H 117.54 3.47 23.71 27.03 91.55 51.13 -63.34 -41.64 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 77 R H H 106.06 5.42 22.30 27.98 91.78 49.53 -64.72 -41.20 0.37 0.00 99.63 0.03 0.02 0.26 99.60 0.10 0.00 0.00 0.00 78 L H H 11.74 19.78 15.16 35.27 91.88 50.48 -64.20 -41.77 0.41 0.00 99.59 0.04 0.02 0.27 99.48 0.19 0.00 0.00 0.00 79 M H H 73.52 11.85 17.11 29.14 91.90 50.92 -63.82 -41.13 0.78 0.00 99.22 0.07 0.04 0.56 98.83 0.50 0.00 0.00 0.00 80 D H H 112.87 1.57 20.33 21.18 91.00 52.61 -66.30 -29.11 4.99 0.00 95.01 0.12 0.15 4.68 94.58 0.46 0.00 0.00 0.00 81 L H H 67.98 10.05 15.78 26.81 93.33 53.33 -85.13 -7.18 49.92 0.03 50.05 0.40 1.26 47.69 49.89 0.73 0.01 0.01 0.02 82 G C T 39.95 6.19 20.38 27.41 98.17 -106.39 83.60 14.34 99.34 0.04 0.62 8.38 3.49 87.60 0.41 0.10 0.00 0.02 0.01 83 C C C 19.75 17.42 14.20 32.05 119.31 148.97 -79.50 151.28 96.47 1.29 2.24 89.04 6.42 0.55 2.04 0.25 0.00 0.27 1.43 84 Y H H 103.14 9.99 21.51 32.08 92.89 -120.67 -63.44 -36.83 12.56 0.09 87.35 1.77 2.86 8.41 85.15 1.68 0.05 0.03 0.06 85 R H H 91.12 11.46 21.66 32.83 92.56 54.37 -65.55 -41.26 6.86 0.04 93.10 0.64 0.76 5.43 91.40 1.72 0.02 0.02 0.02 86 G H H 7.49 13.63 17.61 32.83 91.94 51.46 -64.08 -42.21 4.58 0.05 95.37 1.12 0.57 2.78 93.12 2.36 0.01 0.03 0.01 87 L H H 42.01 9.37 19.54 30.27 91.83 50.26 -64.26 -42.24 2.35 0.04 97.62 0.66 0.34 1.26 96.47 1.23 0.01 0.02 0.01 88 R H H 69.92 8.85 17.76 27.91 92.33 50.05 -64.58 -42.13 2.23 0.05 97.72 0.57 0.30 1.33 96.48 1.28 0.01 0.02 0.01 89 H H H 70.00 11.06 15.33 27.13 92.46 49.62 -65.23 -40.96 2.22 0.02 97.76 0.36 0.18 1.52 95.79 2.13 0.01 0.01 0.00 90 R H H 129.62 7.18 16.10 24.44 91.65 50.89 -66.70 -31.51 7.58 0.03 92.39 0.36 0.39 6.72 90.43 2.05 0.02 0.01 0.01 91 R C T 134.95 4.41 15.36 20.80 93.88 49.10 -90.18 1.14 63.04 0.03 36.92 0.47 1.30 61.89 34.43 1.85 0.01 0.01 0.04 92 G C T 57.14 1.98 16.39 18.73 95.22 -106.66 81.35 13.20 99.55 0.01 0.44 1.64 1.35 96.71 0.24 0.05 0.00 0.00 0.00 93 L C C 56.57 10.33 10.64 22.59 116.85 144.84 -87.71 137.83 99.76 0.20 0.04 92.39 7.29 0.09 0.02 0.01 0.00 0.06 0.14 94 P C C 76.02 4.67 17.92 23.30 112.50 -104.90 -65.79 146.04 99.02 0.67 0.31 94.40 3.98 0.66 0.09 0.15 0.00 0.25 0.47 95 V C C 49.94 16.04 10.92 26.30 116.45 -145.65 -97.43 135.12 84.27 13.92 1.81 73.08 7.60 1.61 0.92 0.76 0.00 2.94 13.08 96 R C T 146.12 5.06 15.22 21.53 109.14 -96.87 -72.78 125.77 85.18 4.54 10.28 23.14 26.49 36.41 4.73 4.59 0.03 2.14 2.46 97 G C T 47.49 4.79 14.14 19.97 99.09 10.40 81.47 -1.19 84.41 1.73 13.85 17.13 26.46 41.67 6.91 5.92 0.02 0.77 1.12 98 Q C C 100.60 6.76 12.61 20.60 101.95 110.03 -82.01 -9.84 70.07 2.03 27.90 32.60 21.57 16.90 18.93 7.84 0.04 0.83 1.29 99 R C C 148.32 4.34 14.05 19.60 100.36 68.85 -78.79 -13.66 61.97 2.83 35.19 35.98 14.29 12.53 28.03 6.42 0.04 1.30 1.40 100 T C H 62.74 8.35 12.27 21.85 105.98 76.85 -88.41 16.43 52.02 2.63 45.34 32.00 11.59 9.52 38.01 6.42 0.04 1.36 1.06 101 K H H 124.54 5.30 14.72 21.19 99.01 56.74 -73.43 -27.65 47.70 1.81 50.48 27.05 11.38 10.51 43.48 5.89 0.04 0.93 0.72 102 T H H 66.43 6.79 14.40 22.40 101.78 65.23 -80.05 -22.84 48.57 1.42 50.01 27.24 11.01 11.36 43.49 5.57 0.03 0.67 0.63 103 N H H 70.52 7.41 14.56 23.18 97.31 54.08 -73.11 -25.96 47.92 1.22 50.85 27.85 9.98 11.48 42.95 6.55 0.03 0.56 0.60 104 A H H 46.33 9.54 12.47 23.17 94.66 63.61 -67.05 -27.08 45.15 1.17 53.68 23.20 9.29 14.06 42.25 10.04 0.04 0.58 0.55 105 R H H 143.87 4.34 14.37 20.04 94.38 61.59 -73.35 -21.09 49.09 1.60 49.32 25.00 10.42 15.13 38.01 9.85 0.04 0.78 0.75 106 T C C 86.09 4.28 13.46 18.93 99.45 51.50 -90.15 -4.20 58.02 2.25 39.74 30.25 13.34 15.93 30.04 8.21 0.05 1.00 1.19 107 R C C 122.48 7.75 9.96 18.95 112.21 102.17 -84.98 130.47 77.55 1.92 20.53 43.74 20.97 13.00 15.90 4.43 0.01 0.77 1.19 108 K C C 158.79 1.78 12.59 15.32 105.61 -143.04 -87.66 74.20 87.56 2.38 10.05 51.97 23.88 11.69 7.05 2.83 0.00 0.95 1.62 109 G C C 35.40 6.35 10.21 18.11 129.06 -120.70 -120.76 174.97 97.15 1.58 1.27 52.34 41.35 3.59 0.47 0.71 0.00 0.68 0.86 110 P C C 98.45 3.07 12.12 16.60 110.04 -61.75 -68.68 144.88 95.80 1.39 2.81 65.54 16.50 13.39 0.54 2.60 0.00 0.76 0.67 111 R C C 160.90 4.15 9.12 15.34 110.86 -131.09 -88.64 128.98 94.84 2.82 2.34 63.82 21.20 9.50 0.51 2.02 0.00 1.37 1.59 112 K C C 140.67 2.73 10.01 14.66 117.46 -136.36 -94.30 137.83 97.32 2.24 0.44 61.83 34.52 1.17 0.15 0.28 0.00 1.13 0.91 113 P C C 102.59 3.23 10.01 15.23 110.48 -106.36 -66.51 142.51 97.88 1.72 0.40 92.96 3.56 1.55 0.13 0.18 0.00 0.95 0.68 114 I C C 108.69 6.88 10.44 18.46 105.80 -123.88 -83.98 100.54 99.81 0.17 0.02 99.35 0.36 0.16 0.00 0.00 0.00 0.08 0.04