#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4f s ASP 7 N 0.00 4.54 0.00 2.55 -1.08 -1.26 -4.95 116.67 116.47 1b4f s ASP 7 Ca 0.00 -0.86 0.20 0.00 -0.52 0.00 0.00 52.55 51.37 1b4f s ASP 7 Cb 0.00 -1.72 0.43 0.00 -1.46 0.00 0.00 42.92 40.17 1b4f s ASP 7 CO 0.00 -0.15 1.37 -1.22 0.52 0.00 0.00 175.17 175.68 1b4f n TYR 8 N 4.71 0.57 -1.58 -5.34 4.01 -1.26 -5.00 117.16 113.27 1b4f n TYR 8 Ca -0.16 -0.33 -0.59 0.00 -0.16 0.00 0.00 57.90 56.66 1b4f n TYR 8 Cb 0.47 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 1b4f n TYR 8 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1b4f n THR 9 N 1.31 0.02 -4.16 -0.72 -1.04 -1.26 -4.93 114.28 103.50 1b4f n THR 9 Ca 0.18 -0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.03 1b4f n THR 9 Cb 0.56 -0.34 -0.11 0.00 -1.82 0.00 0.00 70.33 68.61 1b4f n THR 9 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1b4f s SER 10 N 0.94 1.49 -0.12 8.00 0.15 -1.26 -5.14 113.70 117.75 1b4f s SER 10 Ca 0.93 -0.70 -0.21 0.00 0.70 0.00 0.00 55.95 56.67 1b4f s SER 10 Cb -1.24 -0.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.10 1b4f s SER 10 CO 0.61 -0.18 0.53 0.72 1.20 0.00 0.00 173.24 176.11 1b4f s PHE 11 N -1.84 -0.51 -0.10 3.44 -0.12 -1.26 -4.96 117.98 112.63 1b4f s PHE 11 Ca 0.01 1.08 0.12 0.00 -0.05 0.00 0.00 56.93 58.09 1b4f s PHE 11 Cb -0.07 0.23 -0.18 0.00 -0.63 0.00 0.00 43.02 42.38 1b4f s PHE 11 CO 0.01 -0.40 0.30 0.09 -0.05 0.00 0.00 175.22 175.17 1b4f n ASN 12 N 1.91 1.97 -4.25 1.98 3.02 -1.26 -4.95 115.26 113.68 1b4f n ASN 12 Ca -0.17 -0.11 -0.18 0.00 -0.03 0.00 0.00 54.58 54.08 1b4f n ASN 12 Cb 0.56 1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 41.11 1b4f n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b4f s THR 13 N -2.74 0.60 0.25 3.41 -4.23 -1.26 -5.03 115.64 106.64 1b4f s THR 13 Ca -0.03 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1b4f s THR 13 Cb 0.08 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1b4f s THR 13 CO 0.50 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 177.00 1b4f h VAL 14 N 2.27 1.24 -0.12 2.29 2.07 -1.92 -2.06 116.25 120.02 1b4f h VAL 14 Ca -0.37 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1b4f h VAL 14 Cb 1.25 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1b4f h VAL 14 CO 0.60 0.30 -0.03 0.44 0.02 0.00 0.00 177.57 178.90 1b4f h ASP 15 N 1.03 -0.12 0.23 0.57 3.32 -1.93 -0.05 116.42 119.47 1b4f h ASP 15 Ca 0.24 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1b4f h ASP 15 Cb 0.17 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1b4f h ASP 15 CO -0.02 -0.04 -0.21 -0.33 -1.72 0.00 0.00 179.24 176.91 1b4f h GLU 16 N -0.01 0.00 -0.10 3.56 5.08 -1.91 -2.06 114.58 119.15 1b4f h GLU 16 Ca 0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1b4f h GLU 16 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1b4f h GLU 16 CO -0.12 0.21 -0.60 2.35 -1.00 0.00 0.00 179.01 179.85 1b4f h TRP 17 N 0.00 0.80 -0.71 4.33 7.01 -0.60 -1.11 115.95 125.67 1b4f h TRP 17 Ca -0.00 -0.37 -0.00 0.00 2.11 0.00 0.00 58.89 60.63 1b4f h TRP 17 Cb 0.39 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.29 1b4f h TRP 17 CO 0.00 1.16 0.44 -0.07 -2.79 0.00 0.00 178.44 177.18 1b4f h LEU 18 N 0.21 0.84 -0.52 0.65 3.38 -0.92 -1.89 115.31 117.06 1b4f h LEU 18 Ca -0.05 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1b4f h LEU 18 Cb 1.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1b4f h LEU 18 CO 0.12 0.64 -0.27 -0.33 0.09 0.00 0.00 178.44 178.69 1b4f h GLU 19 N 0.98 0.91 -0.32 1.13 5.08 -1.30 0.85 114.58 121.90 1b4f h GLU 19 Ca 0.26 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1b4f h GLU 19 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1b4f h GLU 19 CO -0.05 1.06 0.19 0.00 -1.00 0.00 0.00 179.01 179.21 1b4f h ALA 20 N 0.91 1.72 -0.57 3.43 0.00 -0.49 -0.78 119.26 123.47 1b4f h ALA 20 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b4f h ALA 20 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1b4f h ALA 20 CO 0.07 0.24 0.00 0.44 0.00 0.00 0.00 179.25 180.01 1b4f n ILE 21 N -4.46 2.73 -2.55 0.00 -5.35 -0.78 -4.94 119.36 104.01 1b4f n ILE 21 Ca 0.02 -1.39 -0.20 0.00 -0.27 0.00 0.00 62.75 60.91 1b4f n ILE 21 Cb 0.09 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1b4f n ILE 21 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1b4f n LYS 22 N 0.63 -2.48 -0.55 6.28 4.76 -0.30 -4.87 118.16 121.63 1b4f n LYS 22 Ca 0.28 0.91 0.06 0.00 -2.87 0.00 0.00 58.31 56.68 1b4f n LYS 22 Cb 1.19 -5.53 0.20 0.00 -1.84 0.00 0.00 35.03 29.05 1b4f n LYS 22 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1b4f n MET 23 N -3.15 1.58 0.31 1.97 2.81 0.29 -4.75 117.12 116.19 1b4f n MET 23 Ca -0.19 -3.22 0.19 0.00 -1.81 0.00 0.00 57.70 52.67 1b4f n MET 23 Cb 0.66 -1.62 1.00 0.00 -0.71 0.00 0.00 33.22 32.54 1b4f n MET 23 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1b4f h GLY 24 N 0.89 0.00 2.00 3.03 0.00 -1.77 -0.93 103.07 106.29 1b4f h GLY 24 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1b4f h GLY 24 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1b4f n GLN 25 N -2.89 0.19 -0.21 4.80 10.64 -1.26 -2.14 117.38 126.50 1b4f n GLN 25 Ca -0.02 0.47 0.11 0.00 -1.83 0.00 0.00 57.00 55.73 1b4f n GLN 25 Cb 0.18 -1.90 0.26 0.00 -0.86 0.00 0.00 30.24 27.92 1b4f n GLN 25 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1b4f n TYR 26 N -2.26 0.56 -0.12 2.61 4.01 -0.35 -4.55 117.16 117.06 1b4f n TYR 26 Ca 0.01 -0.28 -0.05 0.00 -0.16 0.00 0.00 57.90 57.42 1b4f n TYR 26 Cb 0.19 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1b4f n TYR 26 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1b4f h LYS 27 N 3.97 0.23 -0.32 -0.72 1.57 -1.59 -0.58 116.57 119.13 1b4f h LYS 27 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1b4f h LYS 27 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1b4f h LYS 27 CO 0.00 0.16 -0.29 1.49 -0.57 0.00 0.00 179.45 180.24 1b4f h GLU 28 N 0.24 0.67 -0.68 3.15 4.81 -1.83 -1.93 114.58 119.01 1b4f h GLU 28 Ca 0.18 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1b4f h GLU 28 Cb 0.19 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1b4f h GLU 28 CO -0.22 0.88 0.15 0.77 -0.73 0.00 0.00 179.01 179.86 1b4f h SER 29 N 0.58 1.03 -0.03 1.04 0.02 -1.65 -0.29 113.55 114.25 1b4f h SER 29 Ca 0.07 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1b4f h SER 29 Cb 0.78 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1b4f h SER 29 CO 0.06 1.00 0.01 -0.26 -1.14 0.00 0.00 176.83 176.50 1b4f h PHE 30 N 1.03 0.04 -0.44 3.45 -1.00 -0.97 -2.59 116.94 116.46 1b4f h PHE 30 Ca 0.21 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.92 1b4f h PHE 30 Cb 0.39 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1b4f h PHE 30 CO 0.03 0.26 0.01 0.00 -1.61 0.00 0.00 178.31 176.99 1b4f h ALA 31 N 0.78 1.19 0.00 2.45 0.00 -1.13 -1.21 119.26 121.34 1b4f h ALA 31 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1b4f h ALA 31 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b4f h ALA 31 CO 0.00 0.53 -0.31 -0.91 0.00 0.00 0.00 179.25 178.56 1b4f h ASN 32 N 0.67 0.00 -0.06 0.00 -0.26 -1.01 -1.91 115.58 113.01 1b4f h ASN 32 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1b4f h ASN 32 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1b4f h ASN 32 CO 0.02 0.31 0.00 0.00 -1.06 0.00 0.00 177.43 176.69 1b4f n ALA 33 N -2.35 2.57 -0.44 -0.83 0.00 -0.92 -4.92 120.51 113.62 1b4f n ALA 33 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1b4f n ALA 33 Cb 0.41 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1b4f n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4f n GLY 34 N 1.13 0.75 3.36 0.00 0.00 -0.72 -4.98 105.19 104.72 1b4f n GLY 34 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1b4f n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b4f n PHE 35 N -2.19 4.56 0.20 1.61 3.72 -0.50 -4.62 117.46 120.24 1b4f n PHE 35 Ca 0.00 -3.20 0.03 0.00 -0.05 0.00 0.00 57.45 54.24 1b4f n PHE 35 Cb 0.00 -2.21 0.04 0.00 -0.94 0.00 0.00 39.48 36.37 1b4f n PHE 35 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1b4f n THR 36 N 4.60 0.20 -4.12 4.37 -2.24 -1.26 -4.38 114.28 111.45 1b4f n THR 36 Ca 0.39 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1b4f n THR 36 Cb 0.42 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 1b4f n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b4f s SER 37 N -0.65 1.12 0.37 3.42 1.04 -1.26 -4.65 113.70 113.08 1b4f s SER 37 Ca 0.09 -0.73 0.12 0.00 0.48 0.00 0.00 55.95 55.91 1b4f s SER 37 Cb 0.06 0.04 0.70 0.00 0.10 0.00 0.00 66.02 66.92 1b4f s SER 37 CO 0.09 -0.27 1.82 -0.26 0.98 0.00 0.00 173.24 175.60 1b4f h PHE 38 N 3.89 0.06 -0.75 5.02 0.04 -1.98 -1.42 116.94 121.80 1b4f h PHE 38 Ca -0.36 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.55 1b4f h PHE 38 Cb 1.19 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 39.22 1b4f h PHE 38 CO 0.63 0.40 0.24 -0.44 -0.60 0.00 0.00 178.31 178.53 1b4f h ASP 39 N 0.05 0.13 0.32 2.17 3.32 -1.99 -0.22 116.42 120.19 1b4f h ASP 39 Ca 0.00 0.13 -0.33 0.00 0.02 0.00 0.00 57.03 56.86 1b4f h ASP 39 Cb 0.64 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1b4f h ASP 39 CO 0.05 0.01 -1.79 1.62 -1.72 0.00 0.00 179.24 177.41 1b4f h VAL 40 N 0.33 0.83 -0.35 -1.35 3.04 -1.85 -3.34 116.25 113.57 1b4f h VAL 40 Ca 0.43 -2.57 0.00 0.00 -1.01 0.00 0.00 66.70 63.55 1b4f h VAL 40 Cb 0.71 2.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 1b4f h VAL 40 CO -0.48 0.76 0.22 0.58 -1.01 0.00 0.00 177.57 177.64 1b4f h VAL 41 N 0.05 1.10 0.00 1.51 2.07 -1.09 -1.11 116.25 118.78 1b4f h VAL 41 Ca -0.33 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1b4f h VAL 41 Cb 2.03 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1b4f h VAL 41 CO 0.11 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.25 1b4f n SER 42 N -4.47 0.49 -0.27 0.57 3.41 -0.11 -1.70 113.62 111.54 1b4f n SER 42 Ca 0.02 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1b4f n SER 42 Cb 0.07 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.24 1b4f n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4f n GLN 43 N -2.05 0.99 -1.69 4.33 6.02 -0.43 -4.83 117.38 119.72 1b4f n GLN 43 Ca 0.02 -0.56 -0.40 0.00 -0.01 0.00 0.00 57.00 56.05 1b4f n GLN 43 Cb 0.19 -1.43 0.03 0.00 1.02 0.00 0.00 30.24 30.05 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1b4f n MET 44 N -0.63 1.58 -4.23 -1.09 2.81 -0.69 -5.03 117.12 109.83 1b4f n MET 44 Ca 0.07 0.57 -0.27 0.00 -1.81 0.00 0.00 57.70 56.26 1b4f n MET 44 Cb 0.38 -2.36 -0.06 0.00 -0.71 0.00 0.00 33.22 30.47 1b4f n MET 44 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1b4f s MET 45 N -2.50 2.21 0.29 0.03 -1.94 -1.26 -4.99 119.30 111.13 1b4f s MET 45 Ca 0.67 -2.00 0.04 0.00 -1.71 0.00 0.00 55.69 52.70 1b4f s MET 45 Cb -0.47 -1.90 0.71 0.00 2.01 0.00 0.00 34.83 35.18 1b4f s MET 45 CO 0.53 -0.25 1.74 1.98 -0.01 0.00 0.00 175.02 179.00 1b4f h MET 46 N 1.31 0.55 -0.91 2.03 1.85 -1.98 -0.68 114.93 117.09 1b4f h MET 46 Ca -0.42 -0.03 0.10 0.00 -0.61 0.00 0.00 59.70 58.74 1b4f h MET 46 Cb 1.27 -0.12 -0.08 0.00 0.43 0.00 0.00 31.60 33.10 1b4f h MET 46 CO 0.69 0.36 0.55 1.49 -0.40 0.00 0.00 176.91 179.61 1b4f h GLU 47 N 0.56 0.89 -0.24 0.39 4.81 -1.99 -0.99 114.58 118.01 1b4f h GLU 47 Ca 0.55 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1b4f h GLU 47 Cb 0.95 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1b4f h GLU 47 CO -0.45 0.59 -0.10 -0.44 -0.73 0.00 0.00 179.01 177.89 1b4f h ASP 48 N 0.92 0.50 -0.53 1.04 3.32 -1.52 -1.91 116.42 118.23 1b4f h ASP 48 Ca 0.44 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1b4f h ASP 48 Cb 0.37 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1b4f h ASP 48 CO -0.24 0.78 0.30 -0.29 -1.72 0.00 0.00 179.24 178.07 1b4f h ILE 49 N 0.21 1.18 -0.54 0.35 2.10 -0.99 -1.03 117.51 118.78 1b4f h ILE 49 Ca 0.06 -0.45 -0.08 0.00 1.08 0.00 0.00 64.86 65.46 1b4f h ILE 49 Cb 0.59 0.43 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 1b4f h ILE 49 CO 0.03 0.20 0.01 -0.07 -1.08 0.00 0.00 178.15 177.24 1b4f h LEU 50 N 0.78 0.93 -1.11 2.19 3.38 -1.13 -0.58 115.31 119.76 1b4f h LEU 50 Ca 0.20 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1b4f h LEU 50 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1b4f h LEU 50 CO -0.03 1.00 0.17 0.03 0.09 0.00 0.00 178.44 179.70 1b4f h ARG 51 N 0.83 0.80 0.00 1.13 3.08 -0.62 -0.02 114.38 119.58 1b4f h ARG 51 Ca 0.16 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1b4f h ARG 51 Cb 0.52 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1b4f h ARG 51 CO 0.03 0.69 0.00 1.33 -1.07 0.00 0.00 179.97 180.95 1b4f n VAL 52 N -4.30 0.01 -0.14 2.04 0.24 -0.46 -4.90 118.33 110.81 1b4f n VAL 52 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1b4f n VAL 52 Cb 0.19 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1b4f n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b4f n GLY 53 N 0.89 0.92 3.52 7.63 0.00 -0.02 -4.75 105.19 113.38 1b4f n GLY 53 Ca 0.21 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1b4f n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4f s VAL 54 N -2.00 3.95 -0.14 1.61 1.01 -0.26 -4.81 120.40 119.76 1b4f s VAL 54 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 61.98 62.16 1b4f s VAL 54 Cb 0.00 -4.86 -0.28 0.00 0.00 0.00 0.00 36.38 31.24 1b4f s VAL 54 CO 0.00 -1.74 0.24 0.35 0.00 0.00 0.00 175.10 173.95 1b4f n THR 55 N 6.27 0.88 -2.22 3.92 -2.24 -1.26 -4.33 114.28 115.31 1b4f n THR 55 Ca 0.05 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 1b4f n THR 55 Cb 0.48 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1b4f n THR 55 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b4f s LEU 56 N -5.15 4.31 0.33 3.22 1.43 -1.26 -4.91 118.68 116.65 1b4f s LEU 56 Ca -0.09 2.09 0.08 0.00 -1.03 0.00 0.00 54.13 55.18 1b4f s LEU 56 Cb 0.09 -3.56 0.77 0.00 0.03 0.00 0.00 46.19 43.53 1b4f s LEU 56 CO 0.86 -0.74 1.83 0.00 0.23 0.00 0.00 176.35 178.52 1b4f h ALA 57 N 8.03 1.77 -0.20 4.21 0.00 -1.98 0.21 119.26 131.28 1b4f h ALA 57 Ca -0.37 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1b4f h ALA 57 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1b4f h ALA 57 CO 0.91 -0.06 -0.26 0.78 0.00 0.00 0.00 179.25 180.62 1b4f h GLY 58 N 0.74 0.41 1.37 0.00 0.00 -1.99 -0.66 103.07 102.94 1b4f h GLY 58 Ca 0.51 -0.32 -0.31 0.00 0.00 0.00 0.00 47.33 47.21 1b4f h GLY 58 CO -0.28 0.30 -1.35 0.45 0.00 0.00 0.00 176.54 175.66 1b4f h HIS 59 N 0.33 0.85 -0.66 5.60 3.86 -1.29 -2.21 115.15 121.63 1b4f h HIS 59 Ca 0.05 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1b4f h HIS 59 Cb 0.63 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 1b4f h HIS 59 CO 0.02 1.46 0.42 1.96 0.86 0.00 0.00 177.93 182.64 1b4f h GLN 60 N 0.16 0.87 0.01 2.45 4.20 -0.45 -2.02 115.11 120.33 1b4f h GLN 60 Ca -0.20 -0.06 -0.26 0.00 0.06 0.00 0.00 58.65 58.18 1b4f h GLN 60 Cb 2.04 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 29.65 1b4f h GLN 60 CO 0.25 0.59 -1.05 0.87 -0.67 0.00 0.00 178.83 178.82 1b4f h LYS 61 N 0.89 0.64 -0.43 1.46 1.79 -1.14 -1.06 116.57 118.72 1b4f h LYS 61 Ca 0.24 -0.70 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 1b4f h LYS 61 Cb -0.08 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1b4f h LYS 61 CO -0.05 1.29 0.18 -0.22 -1.08 0.00 0.00 179.45 179.57 1b4f h LYS 62 N 0.35 0.65 -0.01 3.15 3.64 -1.25 0.25 116.57 123.34 1b4f h LYS 62 Ca -0.13 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1b4f h LYS 62 Cb 1.70 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1b4f h LYS 62 CO 0.20 0.59 -0.00 0.82 -2.27 0.00 0.00 179.45 178.79 1b4f h ILE 63 N 0.56 1.32 -0.66 2.00 2.04 -1.39 -0.71 117.51 120.66 1b4f h ILE 63 Ca 0.14 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1b4f h ILE 63 Cb 0.19 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1b4f h ILE 63 CO -0.01 0.25 0.37 -0.07 0.00 0.00 0.00 178.15 178.69 1b4f h LEU 64 N -0.37 0.79 -0.78 1.44 3.38 -1.19 -0.27 115.31 118.31 1b4f h LEU 64 Ca 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1b4f h LEU 64 Cb 0.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1b4f h LEU 64 CO 0.00 0.63 0.11 0.78 0.09 0.00 0.00 178.44 180.05 1b4f h ASN 65 N 0.91 0.98 0.48 -0.43 -0.26 -0.39 -2.25 115.58 114.62 1b4f h ASN 65 Ca 0.23 -0.22 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1b4f h ASN 65 Cb -0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1b4f h ASN 65 CO -0.04 0.97 -0.54 -1.28 -1.06 0.00 0.00 177.43 175.48 1b4f h SER 66 N 0.97 0.07 -0.17 5.81 0.87 -0.13 -2.14 113.55 118.83 1b4f h SER 66 Ca 0.20 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 1b4f h SER 66 Cb 0.40 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1b4f h SER 66 CO 0.01 0.60 -0.37 0.40 -0.53 0.00 0.00 176.83 176.94 1b4f h ILE 67 N 0.05 1.29 -0.50 2.23 2.04 -0.95 -2.25 117.51 119.42 1b4f h ILE 67 Ca -0.00 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 1b4f h ILE 67 Cb 0.97 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1b4f h ILE 67 CO 0.07 0.50 -0.08 -0.61 0.00 0.00 0.00 178.15 178.02 1b4f h GLN 68 N 0.57 0.91 0.00 2.37 4.15 -1.08 -0.35 115.11 121.69 1b4f h GLN 68 Ca 0.05 -0.31 -0.10 0.00 0.77 0.00 0.00 58.65 59.07 1b4f h GLN 68 Cb 0.90 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1b4f h GLN 68 CO 0.08 0.96 -0.45 -0.39 -1.93 0.00 0.00 178.83 177.09 1b4f h VAL 69 N 0.82 0.86 0.04 2.39 -1.51 -1.34 -2.11 116.25 115.40 1b4f h VAL 69 Ca 0.14 -1.96 -0.00 0.00 -1.23 0.00 0.00 66.70 63.65 1b4f h VAL 69 Cb 0.61 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1b4f h VAL 69 CO 0.04 0.45 -0.02 -0.03 -1.23 0.00 0.00 177.57 176.78 1b4f h MET 70 N 0.00 -0.05 -0.88 5.19 1.85 -0.98 -2.13 114.93 117.93 1b4f h MET 70 Ca -0.00 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.17 1b4f h MET 70 Cb 1.21 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.18 1b4f h MET 70 CO 0.06 0.07 0.54 0.00 -0.40 0.00 0.00 176.91 177.17 1b4f h ARG 71 N -0.15 0.91 -0.54 0.39 3.08 -0.97 -0.58 114.38 116.51 1b4f h ARG 71 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1b4f h ARG 71 Cb 0.13 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1b4f h ARG 71 CO 0.01 0.60 0.16 0.00 -1.07 0.00 0.00 179.97 179.68 1b4f h ALA 72 N 1.44 0.71 -0.53 0.04 0.00 -1.19 0.70 119.26 120.43 1b4f h ALA 72 Ca 0.40 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1b4f h ALA 72 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1b4f h ALA 72 CO -0.20 0.38 0.12 0.37 0.00 0.00 0.00 179.25 179.92 1b4f h GLN 73 N 0.76 0.85 -0.47 0.00 4.15 -0.93 -1.74 115.11 117.73 1b4f h GLN 73 Ca 0.17 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1b4f h GLN 73 Cb 0.29 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1b4f h GLN 73 CO -0.00 0.81 0.05 0.52 -1.93 0.00 0.00 178.83 178.28 1b4f h MET 74 N 0.74 0.73 0.00 1.69 2.86 -0.85 -1.27 114.93 118.83 1b4f h MET 74 Ca 0.16 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1b4f h MET 74 Cb 0.35 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1b4f h MET 74 CO 0.00 0.71 0.00 -0.91 1.06 0.00 0.00 176.91 177.77 1b4f h ASN 75 N 0.70 0.00 0.00 1.22 2.35 -0.64 -0.48 115.58 118.73 1b4f h ASN 75 Ca 0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1b4f h ASN 75 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1b4f h ASN 75 CO 0.01 0.00 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.07 1b4f h GLN 76 N 0.00 0.00 -0.93 0.81 -0.00 -0.53 -3.03 115.11 111.42 1b4f h GLN 76 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.90 1b4f h GLN 76 Cb 0.63 0.00 -0.13 0.00 0.00 0.00 0.00 27.48 27.98 1b4f h GLN 76 CO 0.00 0.53 0.44 0.82 0.00 0.00 0.00 178.83 180.62 1b4f h ILE 77 N -1.00 0.43 0.00 2.39 2.04 -1.16 7.92 117.51 128.12 1b4f h ILE 77 Ca -0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1b4f h ILE 77 Cb 0.57 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1b4f h ILE 77 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.21 1b4f n GLN 78 N -5.05 0.68 0.00 2.37 6.02 -0.20 -5.11 117.38 116.09 1b4f n GLN 78 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1b4f n GLN 78 Cb 0.74 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1b4f n GLN 78 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48