#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 5.82 -0.19 3.54 2.15 -1.26 -4.96 116.67 121.78 1b4f s ASP 7 Ca 0.00 -0.87 0.16 0.00 0.43 0.00 0.00 52.55 52.27 1b4f s ASP 7 Cb 0.00 -2.06 0.75 0.00 -0.30 0.00 0.00 42.92 41.31 1b4f s ASP 7 CO 0.00 -0.36 1.67 -1.22 -0.17 0.00 0.00 175.17 175.09 1b4f n TYR 8 N 5.04 1.73 -1.66 -5.34 4.01 -1.26 -4.98 117.16 114.70 1b4f n TYR 8 Ca -0.12 -0.70 -0.53 0.00 -0.16 0.00 0.00 57.90 56.39 1b4f n TYR 8 Cb 0.47 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.66 0.19 -4.20 -0.72 -1.04 -1.26 -4.98 114.28 102.94 1b4f n THR 9 Ca 0.26 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 62.11 1b4f n THR 9 Cb 1.05 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1b4f n THR 9 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b4f s SER 10 N 2.18 1.41 -0.03 8.00 1.04 -1.26 -5.15 113.70 119.88 1b4f s SER 10 Ca 0.90 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 1b4f s SER 10 Cb -0.94 0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.24 1b4f s SER 10 CO 0.54 -0.38 0.27 0.72 0.98 0.00 0.00 173.24 175.37 1b4f s PHE 11 N -3.27 -0.16 -0.46 5.02 -0.12 -1.26 -4.97 117.98 112.75 1b4f s PHE 11 Ca 0.12 0.30 0.14 0.00 -0.05 0.00 0.00 56.93 57.44 1b4f s PHE 11 Cb 0.03 0.07 -0.17 0.00 -0.63 0.00 0.00 43.02 42.31 1b4f s PHE 11 CO -0.02 -0.31 0.51 0.09 -0.05 0.00 0.00 175.22 175.44 1b4f n ASN 12 N 1.70 0.98 -4.11 1.98 3.02 -1.26 -4.95 115.26 112.62 1b4f n ASN 12 Ca -0.20 -0.58 -0.10 0.00 -0.03 0.00 0.00 54.58 53.67 1b4f n ASN 12 Cb 0.56 1.20 -0.09 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.52 0.06 0.25 3.41 -4.23 -1.26 -5.03 115.64 106.32 1b4f s THR 13 Ca 0.02 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1b4f s THR 13 Cb 0.10 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 72.06 1b4f s THR 13 CO 0.58 -0.29 1.88 0.58 -0.54 0.00 0.00 174.62 176.84 1b4f h VAL 14 N 2.69 1.13 -0.55 2.29 2.07 -1.92 -1.26 116.25 120.71 1b4f h VAL 14 Ca -0.34 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1b4f h VAL 14 Cb 1.22 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1b4f h VAL 14 CO 0.54 0.21 0.17 0.44 0.02 0.00 0.00 177.57 178.94 1b4f h ASP 15 N 1.14 0.13 0.81 0.57 5.19 -1.93 -0.30 116.42 122.02 1b4f h ASP 15 Ca 0.38 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.78 1b4f h ASP 15 Cb 0.05 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1b4f h ASP 15 CO -0.14 0.09 -0.44 -0.33 -3.12 0.00 0.00 179.24 175.31 1b4f h GLU 16 N 0.33 0.00 -0.25 3.56 5.08 -1.74 -1.36 114.58 120.19 1b4f h GLU 16 Ca 0.27 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.45 1b4f h GLU 16 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1b4f h GLU 16 CO -0.30 0.44 -0.57 2.35 -1.00 0.00 0.00 179.01 179.93 1b4f h TRP 17 N 0.00 1.06 -0.85 4.33 7.01 -0.51 -0.12 115.95 126.87 1b4f h TRP 17 Ca -0.00 -0.40 -0.02 0.00 2.11 0.00 0.00 58.89 60.58 1b4f h TRP 17 Cb 0.96 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.79 1b4f h TRP 17 CO 0.00 1.22 0.46 -0.07 -2.79 0.00 0.00 178.44 177.27 1b4f h LEU 18 N 0.59 1.05 -0.70 0.65 3.38 -0.81 -1.77 115.31 117.70 1b4f h LEU 18 Ca -0.00 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1b4f h LEU 18 Cb 1.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1b4f h LEU 18 CO 0.13 0.85 -0.49 -0.33 0.09 0.00 0.00 178.44 178.68 1b4f h GLU 19 N 1.18 0.39 0.00 1.13 5.08 -1.04 0.50 114.58 121.82 1b4f h GLU 19 Ca 0.30 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1b4f h GLU 19 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1b4f h GLU 19 CO -0.05 0.80 -0.19 0.00 -1.00 0.00 0.00 179.01 178.57 1b4f h ALA 20 N 1.17 1.15 -0.39 3.43 0.00 -0.39 -2.20 119.26 122.03 1b4f h ALA 20 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1b4f h ALA 20 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1b4f h ALA 20 CO 0.08 0.23 0.00 0.44 0.00 0.00 0.00 179.25 180.01 1b4f n ILE 21 N -3.54 2.42 -3.44 0.00 -5.35 -0.73 -4.95 119.36 103.78 1b4f n ILE 21 Ca -0.01 -1.67 -0.25 0.00 -0.27 0.00 0.00 62.75 60.55 1b4f n ILE 21 Cb 0.34 -0.23 0.02 0.00 -1.74 0.00 0.00 39.64 38.03 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 -0.02 -4.78 -0.66 6.28 5.02 -0.83 -4.90 118.16 118.27 1b4f n LYS 22 Ca 0.24 0.66 0.03 0.00 -2.02 0.00 0.00 58.31 57.22 1b4f n LYS 22 Cb 1.00 -5.50 0.21 0.00 -0.02 0.00 0.00 35.03 30.71 1b4f n LYS 22 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1b4f n MET 23 N -4.19 1.67 0.28 1.97 2.81 0.17 -4.78 117.12 115.05 1b4f n MET 23 Ca -0.02 -3.26 0.17 0.00 -1.81 0.00 0.00 57.70 52.77 1b4f n MET 23 Cb 0.56 -1.68 0.94 0.00 -0.71 0.00 0.00 33.22 32.33 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 0.99 0.00 2.00 3.03 0.00 -1.80 -1.12 103.07 106.16 1b4f h GLY 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1b4f h GLY 24 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1b4f n GLN 25 N -3.71 0.14 -0.23 4.80 10.64 -1.26 -2.34 117.38 125.42 1b4f n GLN 25 Ca -0.02 0.54 0.11 0.00 -1.83 0.00 0.00 57.00 55.80 1b4f n GLN 25 Cb 0.14 -1.87 0.22 0.00 -0.86 0.00 0.00 30.24 27.88 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 -2.15 0.59 -0.11 2.61 4.01 -0.42 -4.65 117.16 117.04 1b4f n TYR 26 Ca -0.00 -0.34 -0.09 0.00 -0.16 0.00 0.00 57.90 57.31 1b4f n TYR 26 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 3.95 -0.29 -0.08 -0.72 1.57 -1.63 0.46 116.57 119.83 1b4f h LYS 27 Ca 0.00 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1b4f h LYS 27 Cb 0.92 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1b4f h LYS 27 CO 0.00 -0.20 -0.36 1.49 -0.57 0.00 0.00 179.45 179.82 1b4f h GLU 28 N -0.30 0.16 -0.28 3.15 4.81 -1.84 0.48 114.58 120.75 1b4f h GLU 28 Ca 0.15 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 1b4f h GLU 28 Cb 0.57 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1b4f h GLU 28 CO -0.54 0.50 -0.56 1.03 -0.73 0.00 0.00 179.01 178.71 1b4f h SER 29 N 0.14 0.98 0.06 1.04 0.87 -1.73 0.32 113.55 115.23 1b4f h SER 29 Ca 0.02 -0.54 -0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1b4f h SER 29 Cb 0.70 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1b4f h SER 29 CO 0.05 1.34 -0.03 -0.26 -0.53 0.00 0.00 176.83 177.40 1b4f h PHE 30 N 0.67 -0.07 -0.65 2.24 -1.00 -0.42 -2.17 116.94 115.53 1b4f h PHE 30 Ca 0.01 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1b4f h PHE 30 Cb 1.18 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 1b4f h PHE 30 CO 0.07 0.06 0.41 0.00 -1.61 0.00 0.00 178.31 177.25 1b4f h ALA 31 N 0.75 0.85 -0.64 2.45 0.00 -0.81 -1.38 119.26 120.47 1b4f h ALA 31 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1b4f h ALA 31 Cb 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1b4f h ALA 31 CO 0.01 0.18 0.30 -0.91 0.00 0.00 0.00 179.25 178.84 1b4f h ASN 32 N 0.82 0.82 0.88 0.00 2.35 -0.35 -1.75 115.58 118.35 1b4f h ASN 32 Ca 0.26 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1b4f h ASN 32 Cb -0.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1b4f h ASN 32 CO -0.09 0.71 -0.01 0.00 -1.65 0.00 0.00 177.43 176.38 1b4f n ALA 33 N -2.44 2.39 0.00 -0.83 0.00 -0.82 -4.91 120.51 113.89 1b4f n ALA 33 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1b4f n ALA 33 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.44 0.92 3.45 0.00 0.00 -0.66 -5.02 105.19 105.34 1b4f n GLY 34 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1b4f n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4f s PHE 35 N -2.00 3.25 -0.31 1.61 0.08 -0.59 -4.65 117.98 115.37 1b4f s PHE 35 Ca 0.00 -1.64 0.04 0.00 0.12 0.00 0.00 56.93 55.45 1b4f s PHE 35 Cb 0.00 -4.28 -0.01 0.00 -0.57 0.00 0.00 43.02 38.16 1b4f s PHE 35 CO 0.00 -1.45 0.37 0.25 -0.10 0.00 0.00 175.22 174.29 1b4f n THR 36 N 5.19 0.00 -4.18 0.64 -2.24 -1.26 -4.29 114.28 108.14 1b4f n THR 36 Ca 0.28 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1b4f n THR 36 Cb 0.47 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.85 1.51 0.43 3.42 1.04 -1.26 -4.54 113.70 113.46 1b4f s SER 37 Ca 0.03 -0.79 0.19 0.00 0.48 0.00 0.00 55.95 55.86 1b4f s SER 37 Cb 0.03 -0.00 0.99 0.00 0.10 0.00 0.00 66.02 67.14 1b4f s SER 37 CO 0.10 -0.23 1.92 -0.26 0.98 0.00 0.00 173.24 175.74 1b4f h PHE 38 N 3.65 0.00 -0.71 5.02 0.04 -1.98 -1.42 116.94 121.55 1b4f h PHE 38 Ca -0.38 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.49 1b4f h PHE 38 Cb 1.19 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.27 1b4f h PHE 38 CO 0.64 0.26 0.33 -0.44 -0.60 0.00 0.00 178.31 178.50 1b4f h ASP 39 N 0.00 0.40 0.37 2.17 3.32 -2.00 -0.97 116.42 119.71 1b4f h ASP 39 Ca -0.00 0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 1b4f h ASP 39 Cb 0.53 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1b4f h ASP 39 CO 0.03 0.22 -1.68 1.62 -1.72 0.00 0.00 179.24 177.71 1b4f h VAL 40 N 0.55 0.97 -0.82 -1.35 3.04 -1.88 -3.36 116.25 113.41 1b4f h VAL 40 Ca 0.36 -2.66 -0.00 0.00 -1.01 0.00 0.00 66.70 63.39 1b4f h VAL 40 Cb 0.42 2.65 -0.04 0.00 -2.01 0.00 0.00 31.29 32.31 1b4f h VAL 40 CO -0.30 0.79 0.51 0.58 -1.01 0.00 0.00 177.57 178.14 1b4f h VAL 41 N 0.06 1.22 0.00 1.51 2.07 -1.15 -0.96 116.25 119.00 1b4f h VAL 41 Ca -0.30 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1b4f h VAL 41 Cb 2.03 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1b4f h VAL 41 CO 0.13 0.23 0.00 0.77 0.02 0.00 0.00 177.57 178.72 1b4f h SER 42 N 1.12 0.00 -0.01 0.57 4.64 -1.31 -2.21 113.55 116.34 1b4f h SER 42 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1b4f h SER 42 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1b4f h SER 42 CO -0.06 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.56 1b4f n GLN 43 N -2.32 1.52 -1.76 4.77 6.02 -0.38 -4.87 117.38 120.37 1b4f n GLN 43 Ca -0.00 -1.00 -0.40 0.00 -0.01 0.00 0.00 57.00 55.60 1b4f n GLN 43 Cb 0.12 -1.37 0.03 0.00 1.02 0.00 0.00 30.24 30.04 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 0.08 2.10 -4.73 -1.09 2.81 -0.83 -5.04 117.12 110.42 1b4f n MET 44 Ca 0.08 0.75 -0.32 0.00 -1.81 0.00 0.00 57.70 56.40 1b4f n MET 44 Cb 0.41 -2.62 -0.07 0.00 -0.71 0.00 0.00 33.22 30.23 1b4f n MET 44 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1b4f n MET 45 N -0.44 0.69 -0.18 0.03 2.81 -1.26 -5.00 117.12 113.78 1b4f n MET 45 Ca 0.07 -3.80 0.10 0.00 -1.81 0.00 0.00 57.70 52.26 1b4f n MET 45 Cb 0.42 1.20 0.41 0.00 -0.71 0.00 0.00 33.22 34.55 1b4f n MET 45 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1b4f h MET 46 N 0.00 0.59 -0.85 0.03 1.85 -1.99 -0.88 114.93 113.68 1b4f h MET 46 Ca -0.42 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 58.65 1b4f h MET 46 Cb 1.31 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 33.17 1b4f h MET 46 CO 0.69 0.39 0.56 1.49 -0.40 0.00 0.00 176.91 179.64 1b4f h GLU 47 N 0.61 1.08 -0.19 0.39 4.81 -1.99 0.14 114.58 119.44 1b4f h GLU 47 Ca 0.34 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.30 1b4f h GLU 47 Cb 0.52 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1b4f h GLU 47 CO -0.12 0.72 -0.70 -0.44 -0.73 0.00 0.00 179.01 177.74 1b4f h ASP 48 N 1.12 0.89 -0.68 1.04 3.32 -1.58 -0.01 116.42 120.53 1b4f h ASP 48 Ca 0.32 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1b4f h ASP 48 Cb -0.08 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 1b4f h ASP 48 CO -0.08 1.34 0.45 0.40 -1.72 0.00 0.00 179.24 179.63 1b4f h ILE 49 N 0.55 1.17 -0.40 0.35 2.04 -0.60 -1.72 117.51 118.89 1b4f h ILE 49 Ca -0.03 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 1b4f h ILE 49 Cb 1.31 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1b4f h ILE 49 CO 0.14 0.17 -0.18 -0.07 0.00 0.00 0.00 178.15 178.21 1b4f h LEU 50 N 0.91 0.75 -1.50 1.44 3.38 -0.65 -1.66 115.31 117.99 1b4f h LEU 50 Ca 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1b4f h LEU 50 Cb -0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1b4f h LEU 50 CO -0.06 0.93 0.25 -0.09 0.09 0.00 0.00 178.44 179.55 1b4f h ARG 51 N 0.67 0.58 -0.67 1.13 1.12 -0.38 -1.07 114.38 115.76 1b4f h ARG 51 Ca 0.10 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1b4f h ARG 51 Cb 0.66 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1b4f h ARG 51 CO 0.05 0.42 0.00 1.33 -3.11 0.00 0.00 179.97 178.66 1b4f n VAL 52 N -4.43 1.46 -0.79 0.20 0.24 -0.70 -4.93 118.33 109.38 1b4f n VAL 52 Ca 0.03 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1b4f n VAL 52 Cb 0.09 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 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 0.62 0.55 3.53 7.63 0.00 -0.41 -4.76 105.19 112.36 1b4f n GLY 53 Ca 0.17 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 4.70 -0.03 1.61 1.01 -0.64 -4.84 120.40 120.22 1b4f s VAL 54 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1b4f s VAL 54 Cb 0.00 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 1b4f s VAL 54 CO 0.00 -0.69 0.20 0.35 0.00 0.00 0.00 175.10 174.96 1b4f n THR 55 N 6.04 0.00 -2.33 3.92 -2.24 -1.26 -4.32 114.28 114.09 1b4f n THR 55 Ca 0.01 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1b4f n THR 55 Cb 0.48 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.55 4.38 0.18 3.22 1.43 -1.26 -4.92 118.68 118.16 1b4f s LEU 56 Ca -0.03 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 1b4f s LEU 56 Cb 0.06 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.86 1b4f s LEU 56 CO 0.37 -0.52 1.69 0.00 0.23 0.00 0.00 176.35 178.12 1b4f h ALA 57 N 6.61 0.44 -0.73 4.21 0.00 -1.99 0.87 119.26 128.68 1b4f h ALA 57 Ca -0.42 0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1b4f h ALA 57 Cb 1.21 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1b4f h ALA 57 CO 0.82 -0.38 0.41 0.78 0.00 0.00 0.00 179.25 180.87 1b4f h GLY 58 N 0.12 1.09 0.97 0.00 0.00 -2.00 -1.27 103.07 101.99 1b4f h GLY 58 Ca 0.24 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1b4f h GLY 58 CO -0.39 0.14 -0.16 0.45 0.00 0.00 0.00 176.54 176.58 1b4f h HIS 59 N 0.72 0.85 -0.87 5.60 -0.00 -1.74 -1.18 115.15 118.53 1b4f h HIS 59 Ca 0.34 -0.21 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1b4f h HIS 59 Cb 0.26 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 1b4f h HIS 59 CO -0.08 0.93 0.56 1.96 -0.00 0.00 0.00 177.93 181.31 1b4f h GLN 60 N 0.53 1.07 -0.28 2.45 4.20 -0.44 -0.93 115.11 121.71 1b4f h GLN 60 Ca 0.08 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 1b4f h GLN 60 Cb 0.70 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1b4f h GLN 60 CO 0.05 0.71 -0.53 0.87 -0.67 0.00 0.00 178.83 179.26 1b4f h LYS 61 N 1.10 0.81 -0.22 1.46 1.57 -1.19 -0.35 116.57 119.75 1b4f h LYS 61 Ca 0.34 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1b4f h LYS 61 Cb -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1b4f h LYS 61 CO -0.11 1.13 0.11 -0.22 -0.57 0.00 0.00 179.45 179.80 1b4f h LYS 62 N 0.63 0.31 -0.21 3.15 1.63 -0.90 0.27 116.57 121.44 1b4f h LYS 62 Ca 0.02 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 1b4f h LYS 62 Cb 1.12 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1b4f h LYS 62 CO 0.12 0.31 -0.11 0.82 -3.45 0.00 0.00 179.45 177.13 1b4f h ILE 63 N 0.23 1.31 -0.65 2.00 2.04 -1.09 -0.41 117.51 120.94 1b4f h ILE 63 Ca 0.08 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 1b4f h ILE 63 Cb 0.10 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1b4f h ILE 63 CO -0.01 0.36 0.21 -0.07 0.00 0.00 0.00 178.15 178.64 1b4f h LEU 64 N 0.16 0.92 -0.84 1.44 3.38 -0.94 -0.52 115.31 118.90 1b4f h LEU 64 Ca 0.05 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1b4f h LEU 64 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1b4f h LEU 64 CO 0.03 0.85 -0.32 0.78 0.09 0.00 0.00 178.44 179.87 1b4f h ASN 65 N 0.95 0.50 0.57 -0.43 -0.26 -0.35 0.29 115.58 116.85 1b4f h ASN 65 Ca 0.21 -0.19 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 1b4f h ASN 65 Cb 0.27 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1b4f h ASN 65 CO -0.01 0.79 -0.41 0.77 -1.06 0.00 0.00 177.43 177.52 1b4f h SER 66 N 0.41 0.00 -0.23 5.81 4.64 -0.55 0.07 113.55 123.71 1b4f h SER 66 Ca 0.05 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1b4f h SER 66 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1b4f h SER 66 CO 0.06 0.41 -0.61 0.40 -0.87 0.00 0.00 176.83 176.22 1b4f h ILE 67 N 0.00 1.28 -0.58 0.95 2.04 -0.62 -2.18 117.51 118.40 1b4f h ILE 67 Ca -0.00 -1.80 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 1b4f h ILE 67 Cb 0.80 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1b4f h ILE 67 CO 0.05 0.58 -0.01 -0.61 0.00 0.00 0.00 178.15 178.16 1b4f h GLN 68 N 0.62 1.01 -0.65 2.37 4.15 -0.36 0.02 115.11 122.27 1b4f h GLN 68 Ca -0.00 -0.32 -0.08 0.00 0.77 0.00 0.00 58.65 59.02 1b4f h GLN 68 Cb 1.22 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 1b4f h GLN 68 CO 0.13 1.00 0.08 0.28 -1.93 0.00 0.00 178.83 178.39 1b4f h VAL 69 N 0.92 1.26 -0.26 2.39 2.07 -0.94 -1.59 116.25 120.10 1b4f h VAL 69 Ca 0.16 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1b4f h VAL 69 Cb 0.55 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1b4f h VAL 69 CO 0.03 0.40 0.15 -0.03 0.02 0.00 0.00 177.57 178.13 1b4f h MET 70 N 1.01 0.37 -0.71 1.57 1.85 -1.07 -2.07 114.93 115.89 1b4f h MET 70 Ca 0.20 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1b4f h MET 70 Cb 0.47 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 1b4f h MET 70 CO 0.02 0.32 0.45 0.00 -0.40 0.00 0.00 176.91 177.29 1b4f h ARG 71 N 0.32 0.94 -0.68 0.39 3.08 -0.66 -0.58 114.38 117.19 1b4f h ARG 71 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1b4f h ARG 71 Cb 0.05 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1b4f h ARG 71 CO -0.02 0.64 0.35 0.00 -1.07 0.00 0.00 179.97 179.88 1b4f h ALA 72 N 1.24 1.34 -0.25 0.04 0.00 -1.12 0.41 119.26 120.92 1b4f h ALA 72 Ca 0.26 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1b4f h ALA 72 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1b4f h ALA 72 CO -0.05 0.53 -0.15 0.37 0.00 0.00 0.00 179.25 179.95 1b4f h GLN 73 N 0.95 0.54 -0.38 0.00 4.15 -0.88 -2.13 115.11 117.37 1b4f h GLN 73 Ca 0.24 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1b4f h GLN 73 Cb 0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1b4f h GLN 73 CO -0.04 0.81 -0.02 0.52 -1.93 0.00 0.00 178.83 178.18 1b4f h MET 74 N 0.26 0.60 0.00 1.69 2.86 -0.76 -1.56 114.93 118.02 1b4f h MET 74 Ca 0.05 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1b4f h MET 74 Cb 0.66 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1b4f h MET 74 CO 0.04 0.64 0.00 -0.91 1.06 0.00 0.00 176.91 177.74 1b4f h ASN 75 N 0.57 0.00 0.25 1.22 2.35 0.10 -2.39 115.58 117.68 1b4f h ASN 75 Ca 0.12 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.52 1b4f h ASN 75 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1b4f h ASN 75 CO 0.02 0.00 -1.74 0.06 -1.65 0.00 0.00 177.43 174.12 1b4f h GLN 76 N 0.00 0.34 -0.31 0.81 3.07 -0.88 -3.12 115.11 115.02 1b4f h GLN 76 Ca 0.00 -0.58 0.07 0.00 0.09 0.00 0.00 58.65 58.23 1b4f h GLN 76 Cb 0.67 0.22 -0.07 0.00 0.08 0.00 0.00 27.48 28.38 1b4f h GLN 76 CO 0.00 1.24 -0.12 0.82 0.09 0.00 0.00 178.83 180.86 1b4f h ILE 77 N 0.09 0.59 0.00 1.86 2.04 -1.15 0.49 117.51 121.43 1b4f h ILE 77 Ca -0.33 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1b4f h ILE 77 Cb 2.07 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1b4f h ILE 77 CO 0.16 0.00 -0.01 1.56 0.00 0.00 0.00 178.15 179.86 1b4f h GLN 78 N -0.07 0.00 -0.00 2.37 4.20 -1.55 -3.52 115.11 116.54 1b4f h GLN 78 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1b4f h GLN 78 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1b4f h GLN 78 CO -0.36 0.01 0.00 -1.13 -0.67 0.00 0.00 178.83 176.68