#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 s LYS 2 N 0.00 4.31 -0.17 2.12 2.47 -0.51 -4.98 119.74 122.97 3da7 s LYS 2 Ca 0.00 0.75 -0.02 0.00 -1.56 0.00 0.00 55.97 55.14 3da7 s LYS 2 Cb 0.00 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.03 3da7 s LYS 2 CO 0.00 0.41 -0.08 0.21 0.16 0.00 0.00 175.35 176.05 3da7 s LYS 3 N -0.33 3.44 -0.11 4.03 2.20 -1.26 -0.97 119.74 126.74 3da7 s LYS 3 Ca 0.31 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 3da7 s LYS 3 Cb -0.19 -2.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 3da7 s LYS 3 CO 0.18 0.07 -0.20 0.00 -0.36 0.00 0.00 175.35 175.03 3da7 s ALA 4 N 0.77 2.00 -0.14 3.13 0.00 0.06 -4.88 121.76 122.69 3da7 s ALA 4 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3da7 s ALA 4 Cb -0.15 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3da7 s ALA 4 CO 0.02 0.07 -0.20 0.08 0.00 0.00 0.00 175.76 175.73 3da7 s VAL 5 N 0.70 1.91 -0.22 0.00 1.01 -1.26 -0.08 120.40 122.45 3da7 s VAL 5 Ca -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3da7 s VAL 5 Cb -0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3da7 s VAL 5 CO 0.02 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 3da7 s ILE 6 N 1.01 3.38 -0.66 2.22 1.01 0.63 -4.94 121.20 123.85 3da7 s ILE 6 Ca -0.03 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 3da7 s ILE 6 Cb -0.15 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 39.88 3da7 s ILE 6 CO -0.05 0.41 0.83 0.20 0.00 0.00 0.00 174.94 176.33 3da7 s ASN 7 N 1.48 6.26 0.49 3.58 -0.87 -1.26 -0.13 114.94 124.48 3da7 s ASN 7 Ca 0.06 -1.45 0.17 0.00 -1.57 0.00 0.00 52.86 50.06 3da7 s ASN 7 Cb -0.14 -2.34 1.19 0.00 -0.02 0.00 0.00 41.25 39.94 3da7 s ASN 7 CO -0.03 -1.17 2.05 1.23 -2.57 0.00 0.00 177.10 176.61 3da7 h GLY 8 N 10.30 0.22 1.99 0.66 0.00 -0.22 -0.37 103.07 115.65 3da7 h GLY 8 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3da7 h GLY 8 CO 1.11 0.05 -0.01 1.18 0.00 0.00 0.00 176.54 178.87 3da7 n GLU 9 N -4.47 0.09 0.10 4.80 1.02 -1.26 -3.00 120.64 117.92 3da7 n GLU 9 Ca 0.04 0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3da7 n GLU 9 Cb 0.30 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3da7 n GLU 9 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3da7 h GLN 10 N 0.00 0.00 -6.65 3.49 5.75 -1.45 -3.46 115.11 112.79 3da7 h GLN 10 Ca 0.00 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 3da7 h GLN 10 Cb 0.58 0.00 0.06 0.00 1.07 0.00 0.00 27.48 29.19 3da7 h GLN 10 CO 0.00 0.57 1.02 -0.89 -2.65 0.00 0.00 178.83 176.88 3da7 n ILE 11 N -3.19 0.02 0.44 2.39 -0.00 -1.16 -4.88 119.36 112.98 3da7 n ILE 11 Ca -0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.81 3da7 n ILE 11 Cb 0.81 -2.00 -0.10 0.00 -0.00 0.00 0.00 39.64 38.35 3da7 n ILE 11 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3da7 n ARG 12 N 4.07 1.50 -3.61 0.38 3.00 -1.26 -4.85 116.66 115.89 3da7 n ARG 12 Ca 0.16 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.85 57.93 3da7 n ARG 12 Cb 0.35 -1.26 -0.01 0.00 0.00 0.00 0.00 32.46 31.54 3da7 n ARG 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3da7 s SER 13 N -2.90 -0.10 0.24 0.55 1.04 -1.15 -4.86 113.70 106.52 3da7 s SER 13 Ca 0.01 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 3da7 s SER 13 Cb 0.11 0.17 0.40 0.00 0.10 0.00 0.00 66.02 66.79 3da7 s SER 13 CO 0.62 -0.29 1.78 -0.29 0.98 0.00 0.00 173.24 176.04 3da7 h ILE 14 N 2.00 0.81 -0.31 -1.02 6.09 -1.95 -0.54 117.51 122.60 3da7 h ILE 14 Ca -0.20 -0.22 -0.03 0.00 -1.37 0.00 0.00 64.86 63.04 3da7 h ILE 14 Cb 1.19 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.59 3da7 h ILE 14 CO 0.26 0.11 0.05 0.28 -3.07 0.00 0.00 178.15 175.78 3da7 h SER 15 N 0.63 0.42 0.60 2.19 0.02 -1.96 -1.85 113.55 113.60 3da7 h SER 15 Ca 0.39 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 3da7 h SER 15 Cb 0.45 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3da7 h SER 15 CO -0.30 0.44 -0.58 -0.78 -1.14 0.00 0.00 176.83 174.48 3da7 h ASP 16 N 0.45 0.00 -0.17 3.07 3.58 -1.52 -2.08 116.42 119.75 3da7 h ASP 16 Ca 0.10 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3da7 h ASP 16 Cb 0.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 3da7 h ASP 16 CO -0.00 0.58 -0.11 0.25 -2.88 0.00 0.00 179.24 177.08 3da7 h LEU 17 N 0.00 0.39 -1.18 2.28 5.85 -0.51 -1.65 115.31 120.49 3da7 h LEU 17 Ca -0.01 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.29 3da7 h LEU 17 Cb 1.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3da7 h LEU 17 CO 0.08 0.74 0.55 0.45 -0.34 0.00 0.00 178.44 179.92 3da7 h HIS 18 N 0.05 1.04 -0.40 1.25 3.86 -1.36 -0.34 115.15 119.25 3da7 h HIS 18 Ca 0.04 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 3da7 h HIS 18 Cb 0.60 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3da7 h HIS 18 CO 0.07 0.65 -0.17 1.96 0.86 0.00 0.00 177.93 181.30 3da7 h GLN 19 N 1.12 0.76 -0.46 2.45 4.20 -1.32 0.34 115.11 122.20 3da7 h GLN 19 Ca 0.31 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3da7 h GLN 19 Cb -0.11 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3da7 h GLN 19 CO -0.07 0.88 0.20 1.15 -0.67 0.00 0.00 178.83 180.32 3da7 h THR 20 N 0.68 1.20 -0.45 -0.54 2.02 -0.83 -2.10 112.91 112.88 3da7 h THR 20 Ca 0.11 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3da7 h THR 20 Cb 0.66 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3da7 h THR 20 CO 0.05 0.22 0.17 -0.07 0.37 0.00 0.00 175.52 176.26 3da7 h LEU 21 N 0.61 0.63 -0.93 2.58 3.38 -0.73 0.20 115.31 121.05 3da7 h LEU 21 Ca 0.16 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.09 3da7 h LEU 21 Cb 0.16 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3da7 h LEU 21 CO -0.02 0.64 0.54 0.50 0.09 0.00 0.00 178.44 180.19 3da7 h LYS 22 N 0.58 0.78 0.16 1.13 3.64 -0.22 0.21 116.57 122.85 3da7 h LYS 22 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3da7 h LYS 22 Cb 0.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3da7 h LYS 22 CO -0.01 0.51 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.39 3da7 h LYS 23 N 0.80 -0.20 -0.10 1.90 1.63 -1.02 0.13 116.57 119.71 3da7 h LYS 23 Ca 0.49 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.21 3da7 h LYS 23 Cb 0.60 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3da7 h LYS 23 CO -0.32 0.24 -0.35 0.93 -3.45 0.00 0.00 179.45 176.50 3da7 h GLU 24 N -0.79 0.20 -0.02 1.90 4.39 -0.25 -2.27 114.58 117.74 3da7 h GLU 24 Ca -0.02 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3da7 h GLU 24 Cb 0.53 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3da7 h GLU 24 CO 0.04 0.53 -0.06 1.28 -1.16 0.00 0.00 179.01 179.63 3da7 n LEU 25 N -4.08 2.38 -3.73 1.33 4.77 0.69 -4.58 117.00 113.79 3da7 n LEU 25 Ca -0.01 -0.80 -0.24 0.00 -0.03 0.00 0.00 56.01 54.93 3da7 n LEU 25 Cb 0.43 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3da7 n LEU 25 CO 0.41 0.40 -0.10 0.00 -1.33 0.00 0.00 177.39 176.77 3da7 n ALA 26 N 0.78 -2.17 -1.65 -1.18 0.00 -0.80 -4.91 120.51 110.57 3da7 n ALA 26 Ca 0.15 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 3da7 n ALA 26 Cb 0.51 -2.60 0.04 0.00 0.00 0.00 0.00 19.45 17.40 3da7 n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3da7 s LEU 27 N -6.61 3.18 0.84 0.00 1.43 0.37 -5.02 118.68 112.87 3da7 s LEU 27 Ca 0.14 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 3da7 s LEU 27 Cb -0.04 -4.49 0.10 0.00 0.03 0.00 0.00 46.19 41.78 3da7 s LEU 27 CO 0.84 -1.28 1.20 -2.16 0.23 0.00 0.00 176.35 175.17 3da7 s PRO 28 N -5.01 1.45 0.57 1.29 0.04 -1.26 -4.90 135.00 127.18 3da7 s PRO 28 Ca 0.58 1.72 0.25 0.00 0.04 0.00 0.00 61.00 63.59 3da7 s PRO 28 Cb -0.13 -1.76 1.65 0.00 0.04 0.00 0.00 34.50 34.30 3da7 s PRO 28 CO 0.53 -2.35 2.22 0.93 0.04 0.00 0.00 177.00 178.38 3da7 h GLU 29 N -1.15 0.00 -0.13 4.56 4.39 -1.98 -1.40 114.58 118.87 3da7 h GLU 29 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3da7 h GLU 29 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3da7 h GLU 29 CO 0.45 0.00 0.00 2.48 -1.16 0.00 0.00 179.01 180.78 3da7 n TYR 30 N -4.06 0.17 -1.73 4.33 0.18 -1.26 -4.92 117.16 109.86 3da7 n TYR 30 Ca -0.03 -0.08 -0.66 0.00 1.88 0.00 0.00 57.90 59.01 3da7 n TYR 30 Cb 0.09 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.95 3da7 n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 3da7 n TYR 31 N 0.10 1.75 1.03 -3.48 9.36 -0.53 -4.80 117.16 120.59 3da7 n TYR 31 Ca 0.16 1.04 0.11 0.00 3.32 0.00 0.00 57.90 62.53 3da7 n TYR 31 Cb 0.28 -2.26 0.56 0.00 -0.63 0.00 0.00 39.34 37.29 3da7 n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3da7 n GLY 32 N 3.90 -1.08 3.65 2.98 0.00 -1.26 -4.92 105.19 108.46 3da7 n GLY 32 Ca 0.30 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3da7 n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3da7 n GLU 33 N -1.32 -3.04 -3.95 1.61 1.02 -1.26 -4.97 120.64 108.72 3da7 n GLU 33 Ca 0.10 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.72 3da7 n GLU 33 Cb 0.20 -4.84 -0.02 0.00 -0.02 0.00 0.00 31.44 26.75 3da7 n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3da7 s ASN 34 N -3.90 0.19 0.20 1.62 2.20 -1.26 -4.95 114.94 109.04 3da7 s ASN 34 Ca 0.24 -1.10 0.01 0.00 -0.94 0.00 0.00 52.86 51.07 3da7 s ASN 34 Cb -0.07 0.70 0.14 0.00 -2.00 0.00 0.00 41.25 40.01 3da7 s ASN 34 CO 0.83 -1.36 1.49 -0.07 -2.94 0.00 0.00 177.10 175.04 3da7 h LEU 35 N 2.11 0.39 -0.24 3.54 3.38 -1.98 -0.38 115.31 122.13 3da7 h LEU 35 Ca -0.27 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 3da7 h LEU 35 Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3da7 h LEU 35 CO 0.36 0.95 -0.07 0.44 0.09 0.00 0.00 178.44 180.22 3da7 h ASP 36 N 0.24 0.48 -0.39 -0.43 3.32 -1.99 -1.77 116.42 115.88 3da7 h ASP 36 Ca -0.02 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 56.72 3da7 h ASP 36 Cb 1.22 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 3da7 h ASP 36 CO 0.11 0.74 0.11 0.00 -1.72 0.00 0.00 179.24 178.48 3da7 h ALA 37 N 0.76 0.45 -0.42 3.45 0.00 -1.90 -1.38 119.26 120.22 3da7 h ALA 37 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3da7 h ALA 37 Cb 0.53 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3da7 h ALA 37 CO 0.03 -0.29 0.26 1.25 0.00 0.00 0.00 179.25 180.50 3da7 h LEU 38 N 0.25 0.43 -0.59 0.00 5.85 -0.95 -1.21 115.31 119.09 3da7 h LEU 38 Ca 0.19 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3da7 h LEU 38 Cb 0.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3da7 h LEU 38 CO -0.22 0.31 0.38 -0.25 -0.34 0.00 0.00 178.44 178.33 3da7 h TRP 39 N 0.53 0.75 -0.52 1.25 2.91 -1.07 -0.51 115.95 119.29 3da7 h TRP 39 Ca 0.16 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.27 3da7 h TRP 39 Cb -0.02 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.32 3da7 h TRP 39 CO -0.06 0.48 0.18 0.22 -1.03 0.00 0.00 178.44 178.23 3da7 h ASP 40 N 0.80 0.16 -0.37 2.65 3.58 -0.80 -1.74 116.42 120.71 3da7 h ASP 40 Ca 0.22 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 3da7 h ASP 40 Cb -0.07 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3da7 h ASP 40 CO -0.05 0.12 -0.26 0.00 -2.88 0.00 0.00 179.24 176.17 3da7 h LEU 42 N 0.75 1.07 -0.54 0.00 3.38 -0.87 0.67 115.31 119.77 3da7 h LEU 42 Ca 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3da7 h LEU 42 Cb 0.82 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3da7 h LEU 42 CO 0.07 1.06 -0.58 0.35 0.09 0.00 0.00 178.44 179.43 3da7 n THR 43 N -4.21 0.00 -2.69 0.22 -2.24 -0.67 -4.47 114.28 100.22 3da7 n THR 43 Ca 0.04 -0.14 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3da7 n THR 43 Cb 0.30 0.93 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 3da7 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3da7 n GLY 44 N 1.43 1.63 1.50 3.38 0.00 0.17 -4.98 105.19 108.32 3da7 n GLY 44 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3da7 n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3da7 n TRP 45 N -0.58 -3.07 -1.90 1.61 -0.00 -0.22 -4.72 117.44 108.56 3da7 n TRP 45 Ca -0.01 0.66 -0.41 0.00 -0.00 0.00 0.00 57.50 57.74 3da7 n TRP 45 Cb 0.87 1.87 -0.01 0.00 -0.00 0.00 0.00 31.31 34.04 3da7 n TRP 45 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3da7 s VAL 46 N -2.00 2.31 0.14 5.87 1.01 0.06 -5.01 120.40 122.78 3da7 s VAL 46 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 3da7 s VAL 46 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 3da7 s VAL 46 CO 0.00 0.06 0.43 -1.83 0.00 0.00 0.00 175.10 173.76 3da7 s GLU 47 N -1.10 3.74 0.20 2.72 -1.05 -1.26 -4.93 118.70 117.02 3da7 s GLU 47 Ca 0.57 0.13 0.11 0.00 -0.15 0.00 0.00 54.97 55.63 3da7 s GLU 47 Cb -0.45 -2.87 -0.04 0.00 -0.44 0.00 0.00 34.13 30.33 3da7 s GLU 47 CO 0.52 0.47 -0.23 0.71 0.95 0.00 0.00 175.26 177.68 3da7 s TYR 48 N -1.58 2.24 0.74 4.83 2.02 -1.26 -4.42 117.35 119.92 3da7 s TYR 48 Ca 0.39 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.59 3da7 s TYR 48 Cb -0.13 -1.09 0.04 0.00 -0.40 0.00 0.00 41.96 40.38 3da7 s TYR 48 CO 0.21 0.51 1.15 -2.14 -1.57 0.00 0.00 175.55 173.71 3da7 s PRO 49 N -2.81 2.22 -0.02 -1.71 0.02 -1.26 -4.74 135.00 126.70 3da7 s PRO 49 Ca 0.22 1.52 0.04 0.00 0.02 0.00 0.00 61.00 62.79 3da7 s PRO 49 Cb -0.07 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 3da7 s PRO 49 CO 0.10 -1.72 -0.13 -1.17 -0.33 0.00 0.00 177.00 173.75 3da7 s LEU 50 N -5.37 1.98 -0.21 -5.54 2.96 -0.01 -1.43 118.68 111.06 3da7 s LEU 50 Ca 0.69 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3da7 s LEU 50 Cb -0.24 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.75 3da7 s LEU 50 CO 0.47 0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.84 3da7 s VAL 51 N -0.21 2.60 -0.39 1.68 1.01 -0.14 -0.28 120.40 124.67 3da7 s VAL 51 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3da7 s VAL 51 Cb -0.06 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.19 3da7 s VAL 51 CO -0.00 0.43 0.20 -0.22 0.00 0.00 0.00 175.10 175.51 3da7 s LEU 52 N 1.35 4.82 -0.40 3.92 2.96 0.90 -0.76 118.68 131.46 3da7 s LEU 52 Ca 0.04 -1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 52.51 3da7 s LEU 52 Cb -0.14 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.60 3da7 s LEU 52 CO -0.08 -0.44 0.35 -0.70 -1.32 0.00 0.00 176.35 174.15 3da7 s GLU 53 N 1.45 3.12 -0.49 1.98 2.12 0.88 -0.00 118.70 127.76 3da7 s GLU 53 Ca 0.02 -0.84 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 3da7 s GLU 53 Cb -0.21 -3.94 0.13 0.00 0.26 0.00 0.00 34.13 30.36 3da7 s GLU 53 CO 0.03 -0.73 0.31 -0.46 -0.54 0.00 0.00 175.26 173.86 3da7 s TRP 54 N 1.87 3.52 0.31 5.30 -0.11 0.12 -0.27 118.94 129.68 3da7 s TRP 54 Ca 0.08 -2.38 -0.14 0.00 1.22 0.00 0.00 56.10 54.88 3da7 s TRP 54 Cb -0.18 -3.29 -0.09 0.00 -1.50 0.00 0.00 33.47 28.42 3da7 s TRP 54 CO 0.11 -0.94 0.71 1.03 -4.62 0.00 0.00 176.95 173.24 3da7 s ARG 55 N 0.85 3.97 -1.51 5.86 0.52 0.81 -1.00 118.95 128.45 3da7 s ARG 55 Ca 0.10 0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 55.91 3da7 s ARG 55 Cb -0.22 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 32.79 3da7 s ARG 55 CO -0.03 0.17 0.17 0.00 0.02 0.00 0.00 175.30 175.63 3da7 n GLN 56 N -0.37 -1.81 -0.30 3.54 0.00 -1.19 0.43 117.38 117.69 3da7 n GLN 56 Ca 0.03 0.21 0.07 0.00 0.00 0.00 0.00 57.00 57.31 3da7 n GLN 56 Cb 0.53 -3.96 0.22 0.00 0.00 0.00 0.00 30.24 27.03 3da7 n GLN 56 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3da7 h PHE 57 N -1.78 0.79 -0.51 2.61 3.57 -1.60 -2.56 116.94 117.45 3da7 h PHE 57 Ca -0.65 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.85 3da7 h PHE 57 Cb 1.39 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3da7 h PHE 57 CO 0.51 0.20 0.18 0.93 -2.23 0.00 0.00 178.31 177.90 3da7 h GLU 58 N 0.64 0.79 -0.72 1.11 4.39 -1.89 -2.05 114.58 116.85 3da7 h GLU 58 Ca 0.46 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 60.01 3da7 h GLU 58 Cb 0.63 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3da7 h GLU 58 CO -0.35 0.72 0.48 1.96 -1.16 0.00 0.00 179.01 180.65 3da7 h GLN 59 N 0.70 0.94 0.00 2.33 1.08 -1.82 -2.94 115.11 115.39 3da7 h GLN 59 Ca 0.17 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3da7 h GLN 59 Cb 0.25 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3da7 h GLN 59 CO -0.01 0.62 -0.01 0.66 -0.95 0.00 0.00 178.83 179.15 3da7 h SER 60 N 0.97 0.00 -0.52 1.46 4.64 -0.98 -2.41 113.55 116.71 3da7 h SER 60 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3da7 h SER 60 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3da7 h SER 60 CO -0.06 0.01 -0.14 0.11 -0.87 0.00 0.00 176.83 175.88 3da7 h LYS 61 N 0.00 1.01 0.13 4.77 1.57 -1.41 -2.26 116.57 120.38 3da7 h LYS 61 Ca -0.00 -0.39 -0.28 0.00 -1.87 0.00 0.00 60.65 58.10 3da7 h LYS 61 Cb 0.38 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.65 3da7 h LYS 61 CO 0.00 1.08 -1.24 1.96 -0.57 0.00 0.00 179.45 180.68 3da7 h GLN 62 N 0.88 0.44 0.00 3.15 4.20 -1.59 -2.53 115.11 119.67 3da7 h GLN 62 Ca 0.13 -0.65 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3da7 h GLN 62 Cb 0.71 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3da7 h GLN 62 CO 0.05 1.29 0.00 1.28 -0.67 0.00 0.00 178.83 180.78 3da7 n LEU 63 N -3.68 0.00 -4.35 1.46 4.77 -1.01 -4.44 117.00 109.75 3da7 n LEU 63 Ca -0.11 0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 56.06 3da7 n LEU 63 Cb 1.00 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 3da7 n LEU 63 CO 0.56 -0.32 -0.52 0.42 -1.33 0.00 0.00 177.39 176.21 3da7 s THR 64 N -2.87 1.99 -0.14 -5.08 -4.23 -0.86 -2.93 115.64 101.53 3da7 s THR 64 Ca 0.05 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 3da7 s THR 64 Cb 0.05 -1.86 -0.16 0.00 1.34 0.00 0.00 72.50 71.87 3da7 s THR 64 CO 0.14 -0.14 2.52 -1.84 -0.54 0.00 0.00 174.62 174.76 3da7 n GLU 65 N 0.58 1.46 -1.55 3.99 0.00 -1.26 -4.11 120.64 119.75 3da7 n GLU 65 Ca -0.15 -0.78 -0.09 0.00 0.00 0.00 0.00 57.16 56.13 3da7 n GLU 65 Cb 0.55 -1.92 -0.03 0.00 0.00 0.00 0.00 31.44 30.05 3da7 n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3da7 n ASN 66 N 2.85 -3.83 0.10 -1.84 4.13 -0.96 -4.94 115.26 110.78 3da7 n ASN 66 Ca 0.31 0.16 0.04 0.00 1.68 0.00 0.00 54.58 56.77 3da7 n ASN 66 Cb 0.55 -2.44 -0.00 0.00 -1.54 0.00 0.00 39.78 36.35 3da7 n ASN 66 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3da7 h GLY 67 N 0.00 0.00 0.40 7.41 0.00 -1.77 -3.34 103.07 105.77 3da7 h GLY 67 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.26 3da7 h GLY 67 CO 0.27 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.36 3da7 h ALA 68 N 1.61 1.39 -0.69 3.60 0.00 -1.84 -2.30 119.26 121.02 3da7 h ALA 68 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3da7 h ALA 68 Cb 1.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3da7 h ALA 68 CO 0.04 0.10 0.41 1.49 0.00 0.00 0.00 179.25 181.29 3da7 h GLU 69 N 0.84 0.94 -0.11 0.00 4.57 -1.94 0.12 114.58 118.99 3da7 h GLU 69 Ca 0.47 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.44 3da7 h GLU 69 Cb 0.53 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3da7 h GLU 69 CO -0.29 0.68 -0.46 0.66 -1.18 0.00 0.00 179.01 178.41 3da7 h SER 70 N 0.94 0.29 -0.24 1.04 4.64 -1.66 0.14 113.55 118.69 3da7 h SER 70 Ca 0.25 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3da7 h SER 70 Cb -0.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3da7 h SER 70 CO -0.04 0.71 0.04 0.58 -0.87 0.00 0.00 176.83 177.24 3da7 h VAL 71 N 0.22 1.23 -0.59 0.95 2.07 -1.03 -2.73 116.25 116.38 3da7 h VAL 71 Ca 0.01 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3da7 h VAL 71 Cb 0.90 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 3da7 h VAL 71 CO 0.07 0.25 0.31 0.25 0.02 0.00 0.00 177.57 178.47 3da7 h LEU 72 N 0.21 0.45 -1.49 2.57 5.85 -0.44 -2.69 115.31 119.77 3da7 h LEU 72 Ca 0.07 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3da7 h LEU 72 Cb 0.34 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3da7 h LEU 72 CO 0.01 0.30 0.37 1.56 -0.34 0.00 0.00 178.44 180.33 3da7 h GLN 73 N 0.59 0.65 -0.53 1.25 4.20 -0.61 -0.63 115.11 120.03 3da7 h GLN 73 Ca 0.27 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 3da7 h GLN 73 Cb 0.17 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3da7 h GLN 73 CO -0.18 0.43 -0.01 0.28 -0.67 0.00 0.00 178.83 178.68 3da7 h VAL 74 N 0.67 1.26 -0.63 -0.54 2.07 -1.17 0.83 116.25 118.75 3da7 h VAL 74 Ca 0.22 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3da7 h VAL 74 Cb 0.05 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3da7 h VAL 74 CO -0.06 0.39 0.26 -0.26 0.02 0.00 0.00 177.57 177.93 3da7 h PHE 75 N 0.81 0.96 -0.78 1.57 0.04 -1.12 -1.19 116.94 117.22 3da7 h PHE 75 Ca 0.15 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3da7 h PHE 75 Cb 0.54 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 3da7 h PHE 75 CO 0.04 0.75 0.46 0.00 -0.60 0.00 0.00 178.31 178.96 3da7 h ARG 76 N 0.88 1.07 -0.22 1.51 2.47 -0.87 -0.70 114.38 118.53 3da7 h ARG 76 Ca 0.21 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 3da7 h ARG 76 Cb 0.19 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3da7 h ARG 76 CO -0.02 0.77 -0.39 1.49 0.56 0.00 0.00 179.97 182.38 3da7 h GLU 77 N 1.08 0.49 -0.44 0.04 4.81 -0.62 0.11 114.58 120.05 3da7 h GLU 77 Ca 0.28 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3da7 h GLU 77 Cb -0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3da7 h GLU 77 CO -0.05 0.80 -0.08 0.00 -0.73 0.00 0.00 179.01 178.95 3da7 h ALA 78 N 1.18 0.60 -0.27 2.92 0.00 -0.89 -2.13 119.26 120.66 3da7 h ALA 78 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3da7 h ALA 78 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3da7 h ALA 78 CO 0.07 0.46 0.17 -0.22 0.00 0.00 0.00 179.25 179.74 3da7 h LYS 79 N 0.65 0.36 -0.24 0.00 3.64 -0.83 -2.02 116.57 118.13 3da7 h LYS 79 Ca 0.11 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3da7 h LYS 79 Cb 0.61 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3da7 h LYS 79 CO 0.04 0.25 0.18 0.00 -2.27 0.00 0.00 179.45 177.65 3da7 h ALA 80 N 1.08 2.23 -0.00 5.00 0.00 -0.67 -1.22 119.26 125.68 3da7 h ALA 80 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3da7 h ALA 80 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3da7 h ALA 80 CO -0.02 -0.30 -0.07 0.39 0.00 0.00 0.00 179.25 179.25 3da7 n GLU 81 N -4.46 0.14 0.00 0.00 1.02 -0.81 -4.89 120.64 111.64 3da7 n GLU 81 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3da7 n GLU 81 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3da7 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3da7 n GLY 82 N 1.44 1.23 3.73 0.62 0.00 -0.46 -5.09 105.19 106.66 3da7 n GLY 82 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3da7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da7 s ASP 84 N 0.59 6.31 -0.16 0.00 2.15 -1.26 -4.30 116.67 120.00 3da7 s ASP 84 Ca 0.57 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 51.61 3da7 s ASP 84 Cb -0.33 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.72 3da7 s ASP 84 CO 0.33 -1.71 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.81 3da7 s ILE 85 N 6.05 2.33 -0.21 4.11 1.01 -1.26 -0.83 121.20 132.39 3da7 s ILE 85 Ca 0.56 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3da7 s ILE 85 Cb 0.01 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 3da7 s ILE 85 CO 0.04 0.53 0.21 -0.89 0.00 0.00 0.00 174.94 174.83 3da7 s THR 86 N 0.95 5.34 -0.20 2.92 2.01 0.61 -4.96 115.64 122.32 3da7 s THR 86 Ca -0.03 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 3da7 s THR 86 Cb -0.15 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3da7 s THR 86 CO -0.04 0.36 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.56 3da7 s ILE 87 N 0.85 3.28 -0.29 1.82 1.01 -1.26 -0.07 121.20 126.53 3da7 s ILE 87 Ca 0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3da7 s ILE 87 Cb -0.13 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3da7 s ILE 87 CO 0.03 0.45 0.02 -0.63 0.00 0.00 0.00 174.94 174.81 3da7 s ILE 88 N 1.25 3.28 -0.52 2.92 1.01 0.99 -4.98 121.20 125.16 3da7 s ILE 88 Ca 0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.38 3da7 s ILE 88 Cb -0.14 -2.80 0.10 0.00 0.01 0.00 0.00 42.46 39.63 3da7 s ILE 88 CO -0.02 -0.02 0.50 -0.76 0.00 0.00 0.00 174.94 174.64 3da7 s LEU 89 N 1.34 5.73 0.00 2.97 1.43 -1.26 0.15 118.68 129.04 3da7 s LEU 89 Ca -0.02 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 51.64 3da7 s LEU 89 Cb -0.19 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3da7 s LEU 89 CO -0.01 -0.81 0.56 -1.54 0.23 0.00 0.00 176.35 174.79