#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccu s GLY 2 N 0.00 2.81 0.04 3.41 0.00 -1.26 -4.93 107.32 107.39 3ccu s GLY 2 Ca 0.00 0.73 0.22 0.00 0.00 0.00 0.00 44.72 45.67 3ccu s GLY 2 CO 0.00 1.20 1.70 0.00 0.00 0.00 0.00 173.10 176.00 3ccu n ALA 3 N 0.24 1.98 -1.11 3.20 0.00 -1.26 -3.32 120.51 120.25 3ccu n ALA 3 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ccu n ALA 3 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3ccu n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ccu n GLY 4 N 0.71 0.84 0.28 0.00 0.00 -1.26 -4.46 105.19 101.30 3ccu n GLY 4 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3ccu n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ccu h THR 5 N 0.00 0.36 0.00 2.61 2.02 -2.01 -0.58 112.91 115.31 3ccu h THR 5 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ccu h THR 5 Cb 0.00 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3ccu h THR 5 CO 0.00 0.03 -0.07 1.55 0.37 0.00 0.00 175.52 177.39 3ccu h PRO 6 N 0.14 0.00 0.00 6.66 0.13 -1.89 -2.22 132.00 134.81 3ccu h PRO 6 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 3ccu h PRO 6 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ccu h PRO 6 CO -0.64 0.07 -0.39 0.43 -0.23 0.00 0.00 178.00 177.25 3ccu n SER 7 N -3.63 0.41 0.24 1.44 7.64 -0.24 -3.65 113.62 115.83 3ccu n SER 7 Ca -0.02 -0.02 0.14 0.00 1.01 0.00 0.00 58.87 59.97 3ccu n SER 7 Cb 0.18 0.05 0.35 0.00 -1.01 0.00 0.00 64.21 63.78 3ccu n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3ccu h GLN 8 N 0.00 0.00 0.00 1.43 1.08 -1.24 -3.29 115.11 113.10 3ccu h GLN 8 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3ccu h GLN 8 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3ccu h GLN 8 CO 0.00 0.01 -0.12 0.78 -0.95 0.00 0.00 178.83 178.55 3ccu h GLY 9 N 3.29 0.00 0.34 3.46 0.00 -1.64 -2.73 103.07 105.79 3ccu h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ccu h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3ccu n LYS 10 N -3.97 1.29 -2.52 4.80 5.02 -1.24 -4.72 118.16 116.81 3ccu n LYS 10 Ca -0.02 -0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 55.42 3ccu n LYS 10 Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3ccu n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ccu n LYS 11 N -0.48 3.18 -0.37 1.97 5.02 -1.03 -4.54 118.16 121.90 3ccu n LYS 11 Ca 0.21 -3.25 0.06 0.00 -2.02 0.00 0.00 58.31 53.31 3ccu n LYS 11 Cb 0.21 -3.45 0.09 0.00 -0.02 0.00 0.00 35.03 31.86 3ccu n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ccu n ASN 12 N 7.99 1.37 -4.84 4.39 6.94 -1.26 -5.05 115.26 124.81 3ccu n ASN 12 Ca 0.48 -2.71 -0.38 0.00 -0.02 0.00 0.00 54.58 51.96 3ccu n ASN 12 Cb 0.45 -0.35 -0.06 0.00 -2.36 0.00 0.00 39.78 37.46 3ccu n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ccu s THR 13 N -1.71 4.99 -0.20 5.53 2.01 -1.26 -5.08 115.64 119.92 3ccu s THR 13 Ca 0.22 0.84 -0.09 0.00 0.31 0.00 0.00 61.69 62.97 3ccu s THR 13 Cb 0.20 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3ccu s THR 13 CO -0.00 0.52 0.10 -0.89 -0.69 0.00 0.00 174.62 173.66 3ccu s THR 14 N -1.14 5.07 0.00 -0.82 2.01 -1.26 -4.97 115.64 114.52 3ccu s THR 14 Ca 0.26 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.33 3ccu s THR 14 Cb -0.17 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.03 3ccu s THR 14 CO 0.15 0.42 0.00 0.35 -0.69 0.00 0.00 174.62 174.85 3ccu n THR 15 N 3.79 0.00 -2.23 -0.82 -2.24 -1.26 -4.77 114.28 106.75 3ccu n THR 15 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3ccu n THR 15 Cb 0.52 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3ccu n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ccu s HIS 16 N -0.15 2.73 0.28 4.78 3.76 -1.26 -0.20 115.29 125.23 3ccu s HIS 16 Ca 0.00 0.76 0.03 0.00 -0.15 0.00 0.00 55.06 55.70 3ccu s HIS 16 Cb 0.00 -3.67 -0.06 0.00 1.11 0.00 0.00 32.58 29.96 3ccu s HIS 16 CO 0.00 -2.52 0.06 0.95 -0.85 0.00 0.00 174.74 172.38 3ccu s THR 17 N 2.80 0.95 -0.03 1.30 -4.23 0.20 -4.81 115.64 111.82 3ccu s THR 17 Ca 0.64 -2.01 -0.33 0.00 -1.18 0.00 0.00 61.69 58.81 3ccu s THR 17 Cb -0.30 -2.64 -0.11 0.00 1.34 0.00 0.00 72.50 70.79 3ccu s THR 17 CO 0.25 -0.07 1.90 1.17 -0.54 0.00 0.00 174.62 177.33 3ccu n LYS 18 N -0.55 2.44 -2.64 3.99 3.00 -1.26 -0.49 118.16 122.65 3ccu n LYS 18 Ca -0.02 0.90 -0.42 0.00 -0.00 0.00 0.00 58.31 58.76 3ccu n LYS 18 Cb 0.66 -2.78 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 3ccu n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ccu h ARG 20 N 7.13 0.59 0.00 0.00 2.43 -1.90 -0.54 114.38 122.08 3ccu h ARG 20 Ca -0.33 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.67 3ccu h ARG 20 Cb 1.16 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3ccu h ARG 20 CO 0.85 0.39 -0.74 -0.09 -1.51 0.00 0.00 179.97 178.87 3ccu h ARG 21 N 0.60 0.00 0.00 0.20 2.43 -1.96 -3.42 114.38 112.23 3ccu h ARG 21 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3ccu h ARG 21 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3ccu h ARG 21 CO -0.20 0.93 -1.84 0.00 -1.51 0.00 0.00 179.97 177.34 3ccu n GLY 23 N 1.29 1.35 3.84 0.00 0.00 -0.21 -5.00 105.19 106.46 3ccu n GLY 23 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3ccu n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ccu s GLU 24 N -0.51 4.01 -1.43 1.61 0.41 -1.26 -4.51 118.70 117.02 3ccu s GLU 24 Ca 0.00 0.82 -0.10 0.00 -0.41 0.00 0.00 54.97 55.28 3ccu s GLU 24 Cb 0.00 -2.29 0.06 0.00 -1.78 0.00 0.00 34.13 30.12 3ccu s GLU 24 CO 0.00 -0.03 2.34 1.17 -0.49 0.00 0.00 175.26 178.25 3ccu n LYS 25 N -0.89 3.57 0.00 1.61 4.81 -1.26 0.58 118.16 126.58 3ccu n LYS 25 Ca 0.05 -2.91 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 3ccu n LYS 25 Cb 0.54 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.63 3ccu n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3ccu n SER 26 N 4.12 0.68 -4.57 3.14 7.64 -0.78 -4.30 113.62 119.55 3ccu n SER 26 Ca 0.57 -1.27 -0.42 0.00 1.01 0.00 0.00 58.87 58.76 3ccu n SER 26 Cb 0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3ccu n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3ccu s TYR 27 N -0.27 2.61 -0.55 1.43 5.04 0.35 -0.68 117.35 125.29 3ccu s TYR 27 Ca 0.00 0.36 -0.27 0.00 -2.44 0.00 0.00 57.07 54.71 3ccu s TYR 27 Cb 0.00 -4.49 -0.01 0.00 0.35 0.00 0.00 41.96 37.82 3ccu s TYR 27 CO 0.00 -1.59 1.66 -1.58 -1.34 0.00 0.00 175.55 172.70 3ccu s HIS 28 N 4.91 1.94 -1.20 4.97 5.65 -0.19 0.63 115.29 131.99 3ccu s HIS 28 Ca 0.42 0.61 0.04 0.00 0.25 0.00 0.00 55.06 56.38 3ccu s HIS 28 Cb -0.08 -4.23 0.20 0.00 -1.18 0.00 0.00 32.58 27.29 3ccu s HIS 28 CO 0.24 -2.30 1.06 -2.37 -0.65 0.00 0.00 174.74 170.73 3ccu n THR 29 N 7.09 1.37 -0.12 0.89 5.66 0.71 0.20 114.28 130.08 3ccu n THR 29 Ca 0.17 0.34 -0.15 0.00 -3.05 0.00 0.00 64.05 61.37 3ccu n THR 29 Cb 0.50 -1.27 -0.13 0.00 -1.55 0.00 0.00 70.33 67.88 3ccu n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3ccu n LYS 30 N -1.40 0.69 0.07 1.09 5.02 -1.26 -4.43 118.16 117.94 3ccu n LYS 30 Ca 0.02 0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 3ccu n LYS 30 Cb 0.04 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 3ccu n LYS 30 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ccu h LYS 31 N 0.00 0.00 -3.55 1.97 1.57 -1.77 -3.48 116.57 111.31 3ccu h LYS 31 Ca -0.55 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.92 3ccu h LYS 31 Cb 2.00 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.36 3ccu h LYS 31 CO -0.05 0.23 -0.46 1.63 -0.57 0.00 0.00 179.45 180.23 3ccu n LYS 32 N -2.89 -3.84 -4.22 3.15 4.76 0.52 -5.01 118.16 110.63 3ccu n LYS 32 Ca -0.05 0.69 -0.18 0.00 -2.87 0.00 0.00 58.31 55.90 3ccu n LYS 32 Cb 0.73 -5.10 -0.15 0.00 -1.84 0.00 0.00 35.03 28.67 3ccu n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ccu s VAL 33 N -3.03 0.54 -0.23 -0.18 1.01 -1.20 -4.48 120.40 112.83 3ccu s VAL 33 Ca 0.24 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 3ccu s VAL 33 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3ccu s VAL 33 CO 0.30 0.19 0.72 0.00 0.00 0.00 0.00 175.10 176.31 3ccu h SER 35 N 7.67 0.00 0.00 0.00 4.64 -1.24 -0.79 113.55 123.83 3ccu h SER 35 Ca -0.27 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 3ccu h SER 35 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3ccu h SER 35 CO 0.82 0.06 -0.55 -1.28 -0.87 0.00 0.00 176.83 175.01 3ccu h SER 36 N 0.00 0.00 -0.01 4.97 0.87 -1.92 -3.42 113.55 114.04 3ccu h SER 36 Ca -0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3ccu h SER 36 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3ccu h SER 36 CO 0.01 0.95 -0.54 0.00 -0.53 0.00 0.00 176.83 176.72 3ccu n GLY 38 N 1.38 0.62 3.69 0.00 0.00 -0.30 -0.55 105.19 110.03 3ccu n GLY 38 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3ccu n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ccu n PHE 39 N -2.76 2.47 0.00 1.61 7.35 -1.25 -0.21 117.46 124.66 3ccu n PHE 39 Ca 0.00 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3ccu n PHE 39 Cb 0.00 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.24 3ccu n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ccu n GLY 40 N 3.47 1.83 0.31 7.13 0.00 -1.26 -0.52 105.19 116.13 3ccu n GLY 40 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 3ccu n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ccu n LYS 41 N -2.00 0.18 -3.92 1.61 4.81 0.71 -4.83 118.16 114.73 3ccu n LYS 41 Ca 0.00 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.39 3ccu n LYS 41 Cb 0.00 -1.02 -0.11 0.00 0.02 0.00 0.00 35.03 33.92 3ccu n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3ccu s SER 42 N -5.11 0.11 0.27 3.14 1.04 0.13 -5.02 113.70 108.26 3ccu s SER 42 Ca -0.11 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3ccu s SER 42 Cb 0.03 0.14 0.37 0.00 0.10 0.00 0.00 66.02 66.67 3ccu s SER 42 CO 0.16 -0.26 1.71 0.00 0.98 0.00 0.00 173.24 175.83 3ccu h ALA 43 N 4.83 1.07 -2.28 5.32 0.00 -1.97 -3.41 119.26 122.82 3ccu h ALA 43 Ca -0.30 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 53.78 3ccu h ALA 43 Cb 1.20 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.91 3ccu h ALA 43 CO 0.42 0.57 0.39 0.15 0.00 0.00 0.00 179.25 180.78 3ccu s LYS 44 N -4.53 3.66 0.16 0.00 1.02 -1.26 -5.02 119.74 113.77 3ccu s LYS 44 Ca -0.07 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 3ccu s LYS 44 Cb 0.14 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 3ccu s LYS 44 CO 0.80 -0.52 0.99 1.03 -0.92 0.00 0.00 175.35 176.73 3ccu s ARG 45 N -4.47 4.71 0.02 1.68 1.81 -1.26 -4.84 118.95 116.60 3ccu s ARG 45 Ca 0.58 1.53 -0.30 0.00 -1.72 0.00 0.00 55.73 55.82 3ccu s ARG 45 Cb -0.12 -3.33 -0.08 0.00 -0.45 0.00 0.00 34.95 30.98 3ccu s ARG 45 CO 0.41 0.25 1.80 0.50 -0.68 0.00 0.00 175.30 177.57 3ccu s ARG 46 N -0.38 4.16 -0.19 3.54 3.52 0.29 -4.96 118.95 124.93 3ccu s ARG 46 Ca 0.46 2.43 -0.15 0.00 -0.13 0.00 0.00 55.73 58.33 3ccu s ARG 46 Cb -0.25 -3.95 0.05 0.00 -1.56 0.00 0.00 34.95 29.24 3ccu s ARG 46 CO 0.32 -0.87 0.50 0.34 -0.81 0.00 0.00 175.30 174.77 3ccu s ASP 47 N 3.56 -0.56 0.03 -2.12 -1.08 -1.26 -4.76 116.67 110.47 3ccu s ASP 47 Ca 0.80 1.03 0.02 0.00 -0.52 0.00 0.00 52.55 53.89 3ccu s ASP 47 Cb -0.39 1.00 -0.02 0.00 -1.46 0.00 0.00 42.92 42.04 3ccu s ASP 47 CO 0.36 -0.19 -0.08 -0.31 0.52 0.00 0.00 175.17 175.47 3ccu s TYR 48 N 0.69 0.67 0.29 -5.34 1.51 -1.26 -5.04 117.35 108.86 3ccu s TYR 48 Ca -0.03 -0.40 0.23 0.00 -1.01 0.00 0.00 57.07 55.86 3ccu s TYR 48 Cb -0.05 -0.40 1.08 0.00 -0.11 0.00 0.00 41.96 42.47 3ccu s TYR 48 CO -0.05 -0.06 1.91 0.93 -1.11 0.00 0.00 175.55 177.18 3ccu h GLU 49 N 4.85 0.00 0.00 -0.62 4.39 -2.01 -2.72 114.58 118.47 3ccu h GLU 49 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3ccu h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3ccu h GLU 49 CO 0.43 0.22 0.00 -2.67 -1.16 0.00 0.00 179.01 175.83 3ccu n TRP 50 N -3.60 0.00 1.59 4.33 4.27 -1.26 -2.85 117.44 119.91 3ccu n TRP 50 Ca -0.01 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.66 3ccu n TRP 50 Cb 0.36 -0.08 0.38 0.00 -1.36 0.00 0.00 31.31 30.60 3ccu n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3ccu n GLN 51 N -1.08 0.79 -3.54 -2.67 6.02 -1.03 -4.74 117.38 111.13 3ccu n GLN 51 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.02 3ccu n GLN 51 Cb 0.11 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 3ccu n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ccu s SER 52 N -1.60 -0.42 0.41 1.08 1.04 -1.13 -5.11 113.70 107.97 3ccu s SER 52 Ca 0.19 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.29 3ccu s SER 52 Cb 0.09 0.53 -0.10 0.00 0.10 0.00 0.00 66.02 66.63 3ccu s SER 52 CO 0.15 -0.87 1.27 0.29 0.98 0.00 0.00 173.24 175.06 3ccu n LYS 53 N -0.13 1.93 -0.30 4.02 4.76 -1.26 -4.88 118.16 122.30 3ccu n LYS 53 Ca -0.17 0.69 0.13 0.00 -2.87 0.00 0.00 58.31 56.08 3ccu n LYS 53 Cb 0.63 -2.37 0.29 0.00 -1.84 0.00 0.00 35.03 31.74 3ccu n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ccu h ALA 54 N 2.11 1.30 -0.67 7.82 0.00 -1.96 -0.98 119.26 126.89 3ccu h ALA 54 Ca -0.48 0.20 -0.43 0.00 0.00 0.00 0.00 54.91 54.21 3ccu h ALA 54 Cb 1.29 0.26 -0.20 0.00 0.00 0.00 0.00 17.79 19.15 3ccu h ALA 54 CO 0.60 -0.42 0.55 0.41 0.00 0.00 0.00 179.25 180.39 3ccu n GLY 55 N -1.36 4.49 0.00 0.00 0.00 -1.26 -5.15 105.19 101.91 3ccu n GLY 55 Ca 0.21 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3ccu n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11