#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 2.97 0.00 2.55 -1.08 -1.26 -4.99 116.67 114.86 1b4f s ASP 7 Ca 0.00 -0.72 0.20 0.00 -0.52 0.00 0.00 52.55 51.50 1b4f s ASP 7 Cb 0.00 -0.97 0.54 0.00 -1.46 0.00 0.00 42.92 41.03 1b4f s ASP 7 CO 0.00 -0.18 1.45 -1.22 0.52 0.00 0.00 175.17 175.74 1b4f n TYR 8 N 4.84 0.80 -1.65 -5.34 4.01 -1.26 -4.99 117.16 113.56 1b4f n TYR 8 Ca -0.12 -0.46 -0.53 0.00 -0.16 0.00 0.00 57.90 56.63 1b4f n TYR 8 Cb 0.47 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 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 1.37 0.18 -4.45 -0.72 -1.04 -1.26 -4.94 114.28 103.42 1b4f n THR 9 Ca 0.21 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.97 1b4f n THR 9 Cb 0.57 -1.17 -0.11 0.00 -1.82 0.00 0.00 70.33 67.81 1b4f n THR 9 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1b4f s SER 10 N 2.04 2.57 0.05 8.00 0.01 -1.26 -5.16 113.70 119.94 1b4f s SER 10 Ca 0.90 -1.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.58 1b4f s SER 10 Cb -0.93 -0.13 0.09 0.00 0.21 0.00 0.00 66.02 65.26 1b4f s SER 10 CO 0.53 -0.51 0.77 0.72 0.41 0.00 0.00 173.24 175.16 1b4f s PHE 11 N -3.18 -0.44 0.00 2.43 -0.12 -1.26 -4.94 117.98 110.48 1b4f s PHE 11 Ca 0.34 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.53 1b4f s PHE 11 Cb 0.07 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 43.00 1b4f s PHE 11 CO 0.14 -0.66 0.00 0.09 -0.05 0.00 0.00 175.22 174.74 1b4f n ASN 12 N -0.21 4.35 -4.54 1.98 3.02 -1.26 -5.01 115.26 113.59 1b4f n ASN 12 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.15 1b4f n ASN 12 Cb 0.63 0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 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 -1.74 1.37 0.27 3.41 -4.23 -1.26 -5.00 115.64 108.46 1b4f s THR 13 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1b4f s THR 13 Cb 0.00 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1b4f s THR 13 CO 0.00 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.28 1b4f h VAL 14 N 1.74 1.39 -0.29 2.29 2.07 -1.93 -2.57 116.25 118.95 1b4f h VAL 14 Ca -0.42 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 65.21 1b4f h VAL 14 Cb 1.27 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1b4f h VAL 14 CO 0.73 0.56 0.14 0.44 0.02 0.00 0.00 177.57 179.45 1b4f h ASP 15 N 0.10 0.19 0.76 0.57 5.19 -1.94 0.12 116.42 121.41 1b4f h ASP 15 Ca -0.00 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 1b4f h ASP 15 Cb 1.03 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1b4f h ASP 15 CO 0.08 0.15 -0.42 -0.33 -3.12 0.00 0.00 179.24 175.60 1b4f h GLU 16 N 0.29 0.00 -0.07 3.56 5.08 -1.92 -2.16 114.58 119.36 1b4f h GLU 16 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1b4f h GLU 16 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1b4f h GLU 16 CO -0.09 0.42 -0.13 2.35 -1.00 0.00 0.00 179.01 180.56 1b4f h TRP 17 N 0.00 0.26 -0.50 4.33 7.01 -1.01 0.99 115.95 127.02 1b4f h TRP 17 Ca -0.00 -0.09 0.07 0.00 2.11 0.00 0.00 58.89 60.97 1b4f h TRP 17 Cb 0.91 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 1b4f h TRP 17 CO 0.00 0.72 0.34 -0.07 -2.79 0.00 0.00 178.44 176.63 1b4f h LEU 18 N -0.27 0.37 0.14 0.65 3.38 -0.87 -1.15 115.31 117.55 1b4f h LEU 18 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1b4f h LEU 18 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1b4f h LEU 18 CO 0.03 0.24 -0.07 -0.33 0.09 0.00 0.00 178.44 178.40 1b4f h GLU 19 N 0.42 -0.18 -0.76 1.13 5.08 -1.22 1.39 114.58 120.43 1b4f h GLU 19 Ca 0.22 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.81 1b4f h GLU 19 Cb 0.34 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1b4f h GLU 19 CO -0.06 0.25 0.55 0.00 -1.00 0.00 0.00 179.01 178.75 1b4f h ALA 20 N 0.04 2.72 -0.67 3.43 0.00 -0.17 0.75 119.26 125.35 1b4f h ALA 20 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b4f h ALA 20 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b4f h ALA 20 CO 0.03 -0.94 0.00 0.44 0.00 0.00 0.00 179.25 178.78 1b4f n ILE 21 N -4.30 1.71 -2.31 0.00 -5.35 -0.49 -4.94 119.36 103.67 1b4f n ILE 21 Ca 0.15 -1.15 -0.18 0.00 -0.27 0.00 0.00 62.75 61.30 1b4f n ILE 21 Cb 0.83 0.18 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 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 1.25 -1.41 -0.90 6.28 5.02 0.26 -4.87 118.16 123.78 1b4f n LYS 22 Ca 0.26 0.87 -0.04 0.00 -2.02 0.00 0.00 58.31 57.38 1b4f n LYS 22 Cb 0.86 -5.35 0.18 0.00 -0.02 0.00 0.00 35.03 30.69 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 -2.70 1.98 0.31 1.97 2.81 0.47 -4.73 117.12 117.23 1b4f n MET 23 Ca -0.21 -3.35 0.19 0.00 -1.81 0.00 0.00 57.70 52.52 1b4f n MET 23 Cb 0.66 -1.82 1.06 0.00 -0.71 0.00 0.00 33.22 32.41 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 1.17 0.00 1.99 3.03 0.00 -1.72 -1.32 103.07 106.22 1b4f h GLY 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1b4f h GLY 24 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.49 1b4f n GLN 25 N -3.42 0.00 -0.07 4.80 10.64 -1.26 -1.28 117.38 126.79 1b4f n GLN 25 Ca -0.03 0.38 0.10 0.00 -1.83 0.00 0.00 57.00 55.63 1b4f n GLN 25 Cb 0.11 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.12 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 -1.49 0.18 -0.23 2.61 4.01 -0.50 -4.67 117.16 117.07 1b4f n TYR 26 Ca 0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 1b4f n TYR 26 Cb 0.08 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 4.03 -0.07 -0.26 -0.72 1.57 -1.35 -1.00 116.57 118.79 1b4f h LYS 27 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1b4f h LYS 27 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1b4f h LYS 27 CO 0.00 -0.04 -0.58 0.93 -0.57 0.00 0.00 179.45 179.19 1b4f h GLU 28 N -0.07 0.81 -0.81 3.15 5.08 -1.83 -2.48 114.58 118.44 1b4f h GLU 28 Ca 0.30 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1b4f h GLU 28 Cb 0.54 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1b4f h GLU 28 CO -0.72 1.16 0.48 0.77 -1.00 0.00 0.00 179.01 179.70 1b4f h SER 29 N 0.62 0.98 -0.31 1.42 0.02 -1.74 0.12 113.55 114.65 1b4f h SER 29 Ca 0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1b4f h SER 29 Cb 1.18 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1b4f h SER 29 CO 0.12 0.77 0.16 -0.26 -1.14 0.00 0.00 176.83 176.48 1b4f h PHE 30 N 1.11 0.43 -0.44 3.45 -1.00 -1.12 -2.40 116.94 116.97 1b4f h PHE 30 Ca 0.29 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.93 1b4f h PHE 30 Cb -0.03 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1b4f h PHE 30 CO -0.00 0.36 -0.22 0.00 -1.61 0.00 0.00 178.31 176.84 1b4f h ALA 31 N 1.03 0.77 0.00 2.45 0.00 -1.20 0.12 119.26 122.43 1b4f h ALA 31 Ca 0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1b4f h ALA 31 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1b4f h ALA 31 CO -0.02 0.66 -0.21 -0.91 0.00 0.00 0.00 179.25 178.77 1b4f h ASN 32 N 0.78 0.00 0.46 0.00 -0.26 -0.73 -1.05 115.58 114.79 1b4f h ASN 32 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1b4f h ASN 32 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 1b4f h ASN 32 CO 0.06 0.21 -0.29 0.00 -1.06 0.00 0.00 177.43 176.35 1b4f n ALA 33 N -2.40 3.11 -0.11 -0.83 0.00 -0.91 -4.95 120.51 114.42 1b4f n ALA 33 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1b4f n ALA 33 Cb 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.41 0.60 3.19 0.00 0.00 -0.40 -4.99 105.19 105.01 1b4f n GLY 34 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.01 4.09 0.44 1.61 3.72 0.35 -4.65 117.46 121.01 1b4f n PHE 35 Ca 0.00 -3.00 0.07 0.00 -0.05 0.00 0.00 57.45 54.47 1b4f n PHE 35 Cb 0.00 -2.34 0.08 0.00 -0.94 0.00 0.00 39.48 36.29 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 4.89 0.18 -4.13 4.37 -2.24 -1.26 -4.41 114.28 111.68 1b4f n THR 36 Ca 0.44 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1b4f n THR 36 Cb 0.41 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.15 0.96 0.49 3.42 1.04 -1.26 -4.64 113.70 112.56 1b4f s SER 37 Ca 0.19 -0.90 0.28 0.00 0.48 0.00 0.00 55.95 56.00 1b4f s SER 37 Cb 0.12 0.10 1.13 0.00 0.10 0.00 0.00 66.02 67.47 1b4f s SER 37 CO 0.18 -0.43 1.90 -0.26 0.98 0.00 0.00 173.24 175.62 1b4f h PHE 38 N 3.35 0.00 -0.63 5.02 0.04 -1.97 -0.29 116.94 122.46 1b4f h PHE 38 Ca -0.35 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.38 1b4f h PHE 38 Cb 1.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 1b4f h PHE 38 CO 0.60 0.12 0.25 -0.44 -0.60 0.00 0.00 178.31 178.24 1b4f h ASP 39 N 0.00 0.87 0.59 2.17 3.32 -2.00 -1.38 116.42 120.00 1b4f h ASP 39 Ca -0.00 -0.17 -0.28 0.00 0.02 0.00 0.00 57.03 56.60 1b4f h ASP 39 Cb 0.63 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1b4f h ASP 39 CO 0.02 0.80 -1.50 1.62 -1.72 0.00 0.00 179.24 178.46 1b4f h VAL 40 N 0.89 1.14 -0.23 -1.35 3.04 -1.85 -3.33 116.25 114.55 1b4f h VAL 40 Ca 0.21 -2.89 -0.04 0.00 -1.01 0.00 0.00 66.70 62.96 1b4f h VAL 40 Cb 0.20 2.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1b4f h VAL 40 CO -0.02 0.72 -0.06 0.58 -1.01 0.00 0.00 177.57 177.79 1b4f h VAL 41 N 0.02 1.17 0.00 1.51 2.07 -1.00 -1.60 116.25 118.42 1b4f h VAL 41 Ca -0.21 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1b4f h VAL 41 Cb 1.95 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1b4f h VAL 41 CO 0.11 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.40 1b4f n SER 42 N -4.30 0.08 -0.35 0.57 3.41 -0.53 -1.80 113.62 110.71 1b4f n SER 42 Ca 0.00 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1b4f n SER 42 Cb 0.24 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.58 1.44 -1.78 4.33 1.13 -0.61 -4.85 117.38 115.45 1b4f n GLN 43 Ca 0.03 -0.73 -0.41 0.00 -1.94 0.00 0.00 57.00 53.95 1b4f n GLN 43 Cb 0.18 -1.35 -0.00 0.00 0.11 0.00 0.00 30.24 29.18 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1b4f s MET 44 N -2.22 4.09 0.52 -1.09 -1.94 -0.74 -5.04 119.30 112.87 1b4f s MET 44 Ca 0.14 2.60 0.04 0.00 -1.71 0.00 0.00 55.69 56.76 1b4f s MET 44 Cb 0.15 -2.96 0.01 0.00 2.01 0.00 0.00 34.83 34.03 1b4f s MET 44 CO 0.52 -0.57 0.20 -1.64 -0.01 0.00 0.00 175.02 173.52 1b4f s MET 45 N -1.98 2.22 0.35 2.03 -1.94 -1.26 -4.99 119.30 113.73 1b4f s MET 45 Ca 0.54 -2.17 0.04 0.00 -1.71 0.00 0.00 55.69 52.38 1b4f s MET 45 Cb -0.47 -1.84 0.67 0.00 2.01 0.00 0.00 34.83 35.21 1b4f s MET 45 CO 0.63 -0.45 1.99 1.98 -0.01 0.00 0.00 175.02 179.15 1b4f h MET 46 N 1.08 0.80 -0.86 2.03 1.85 -1.99 -0.58 114.93 117.27 1b4f h MET 46 Ca -0.41 -0.05 0.11 0.00 -0.61 0.00 0.00 59.70 58.74 1b4f h MET 46 Cb 1.30 -0.18 -0.06 0.00 0.43 0.00 0.00 31.60 33.09 1b4f h MET 46 CO 0.66 0.53 0.55 1.05 -0.40 0.00 0.00 176.91 179.31 1b4f h GLU 47 N 0.83 0.76 -0.22 0.39 4.11 -1.99 -0.39 114.58 118.07 1b4f h GLU 47 Ca 0.27 -0.05 -0.21 0.00 0.07 0.00 0.00 59.36 59.44 1b4f h GLU 47 Cb 0.04 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.13 1b4f h GLU 47 CO -0.07 0.51 -0.68 -0.44 0.07 0.00 0.00 179.01 178.40 1b4f h ASP 48 N 0.79 0.97 -0.38 3.06 3.32 -1.51 -0.30 116.42 122.37 1b4f h ASP 48 Ca 0.40 -0.58 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 1b4f h ASP 48 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1b4f h ASP 48 CO -0.17 1.39 -0.01 0.40 -1.72 0.00 0.00 179.24 179.12 1b4f h ILE 49 N 0.61 1.24 -0.18 0.35 2.04 -0.92 -1.57 117.51 119.07 1b4f h ILE 49 Ca -0.02 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.72 1b4f h ILE 49 Cb 1.30 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1b4f h ILE 49 CO 0.14 0.35 -0.36 -0.07 0.00 0.00 0.00 178.15 178.22 1b4f h LEU 50 N 0.71 0.63 -1.16 1.44 3.38 -1.01 -1.60 115.31 117.70 1b4f h LEU 50 Ca 0.14 -0.55 0.15 0.00 0.09 0.00 0.00 57.88 57.71 1b4f h LEU 50 Cb 0.45 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1b4f h LEU 50 CO 0.02 1.06 0.60 -0.09 0.09 0.00 0.00 178.44 180.12 1b4f h ARG 51 N 0.22 0.75 -0.92 1.13 2.43 -0.62 0.26 114.38 117.64 1b4f h ARG 51 Ca 0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1b4f h ARG 51 Cb 0.95 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1b4f h ARG 51 CO 0.08 0.50 0.03 1.33 -1.51 0.00 0.00 179.97 180.39 1b4f n VAL 52 N -4.62 0.78 -0.99 0.20 0.24 -0.63 -4.92 118.33 108.39 1b4f n VAL 52 Ca 0.19 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1b4f n VAL 52 Cb 0.48 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.14 0.42 3.53 7.63 0.00 0.92 -4.75 105.19 113.08 1b4f n GLY 53 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.90 4.10 -0.08 1.61 1.01 -0.61 -4.80 120.40 119.73 1b4f s VAL 54 Ca 0.00 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.43 1b4f s VAL 54 Cb 0.00 -4.72 -0.24 0.00 0.00 0.00 0.00 36.38 31.42 1b4f s VAL 54 CO 0.00 -1.46 0.25 0.35 0.00 0.00 0.00 175.10 174.23 1b4f n THR 55 N 6.28 0.45 -2.21 3.92 -2.24 -1.26 -4.32 114.28 114.90 1b4f n THR 55 Ca 0.02 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1b4f n THR 55 Cb 0.48 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -4.60 4.39 0.37 3.22 1.43 -1.26 -4.88 118.68 117.35 1b4f s LEU 56 Ca -0.07 2.33 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 1b4f s LEU 56 Cb 0.08 -3.59 0.71 0.00 0.03 0.00 0.00 46.19 43.42 1b4f s LEU 56 CO 0.69 -0.59 1.97 0.00 0.23 0.00 0.00 176.35 178.64 1b4f h ALA 57 N 6.29 1.53 -0.55 4.21 0.00 -1.99 -1.40 119.26 127.34 1b4f h ALA 57 Ca -0.43 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1b4f h ALA 57 Cb 1.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1b4f h ALA 57 CO 0.83 0.37 -0.08 0.78 0.00 0.00 0.00 179.25 181.14 1b4f h GLY 58 N 0.73 1.11 2.00 0.00 0.00 -2.00 -2.00 103.07 102.90 1b4f h GLY 58 Ca 0.14 -0.87 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1b4f h GLY 58 CO -0.01 0.80 -0.74 0.45 0.00 0.00 0.00 176.54 177.03 1b4f h HIS 59 N 0.92 0.00 -0.86 5.60 3.86 -1.77 -1.89 115.15 121.01 1b4f h HIS 59 Ca 0.15 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1b4f h HIS 59 Cb 0.64 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 1b4f h HIS 59 CO 0.04 0.74 0.54 1.96 0.86 0.00 0.00 177.93 182.07 1b4f h GLN 60 N 0.00 1.16 -0.32 2.45 4.20 -1.08 -1.88 115.11 119.63 1b4f h GLN 60 Ca -0.01 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 1b4f h GLN 60 Cb 1.34 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1b4f h GLN 60 CO 0.10 0.80 -0.36 -0.22 -0.67 0.00 0.00 178.83 178.47 1b4f h LYS 61 N 1.18 0.82 -0.66 1.46 3.64 -1.20 0.45 116.57 122.24 1b4f h LYS 61 Ca 0.31 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1b4f h LYS 61 Cb -0.08 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1b4f h LYS 61 CO -0.06 1.08 0.17 -0.22 -2.27 0.00 0.00 179.45 178.15 1b4f h LYS 62 N 0.59 1.06 -0.14 1.90 1.63 -1.16 0.10 116.57 120.55 1b4f h LYS 62 Ca 0.05 -0.25 -0.15 0.00 -0.85 0.00 0.00 60.65 59.44 1b4f h LYS 62 Cb 0.95 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1b4f h LYS 62 CO 0.09 0.94 -0.50 0.82 -3.45 0.00 0.00 179.45 177.35 1b4f h ILE 63 N 0.98 1.34 -0.80 2.00 2.04 -1.17 -1.31 117.51 120.60 1b4f h ILE 63 Ca 0.21 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 1b4f h ILE 63 Cb 0.36 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1b4f h ILE 63 CO 0.00 0.54 0.47 -0.07 0.00 0.00 0.00 178.15 179.09 1b4f h LEU 64 N 0.23 0.97 -0.81 1.44 3.38 -0.85 -0.66 115.31 119.01 1b4f h LEU 64 Ca -0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1b4f h LEU 64 Cb 1.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1b4f h LEU 64 CO 0.11 0.75 -0.03 0.78 0.09 0.00 0.00 178.44 180.14 1b4f h ASN 65 N 1.10 0.84 0.07 -0.43 -0.26 -0.63 -1.91 115.58 114.36 1b4f h ASN 65 Ca 0.29 -0.22 -0.14 0.00 -0.56 0.00 0.00 56.30 55.66 1b4f h ASN 65 Cb -0.02 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 1b4f h ASN 65 CO -0.05 0.92 -0.48 -1.28 -1.06 0.00 0.00 177.43 175.48 1b4f h SER 66 N 0.80 0.51 -0.56 5.81 0.87 -0.63 -2.11 113.55 118.25 1b4f h SER 66 Ca 0.15 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 1b4f h SER 66 Cb 0.51 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1b4f h SER 66 CO 0.03 0.92 -0.02 0.40 -0.53 0.00 0.00 176.83 177.62 1b4f h ILE 67 N 0.38 1.27 -0.68 2.23 2.04 -0.92 -0.87 117.51 120.95 1b4f h ILE 67 Ca 0.02 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1b4f h ILE 67 Cb 0.98 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1b4f h ILE 67 CO 0.09 0.41 0.42 -0.61 0.00 0.00 0.00 178.15 178.46 1b4f h GLN 68 N 0.88 0.91 -0.13 2.37 4.15 -1.16 -0.13 115.11 121.99 1b4f h GLN 68 Ca 0.15 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.36 1b4f h GLN 68 Cb 0.57 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1b4f h GLN 68 CO 0.03 0.63 -0.55 0.28 -1.93 0.00 0.00 178.83 177.30 1b4f h VAL 69 N 0.92 1.34 -0.62 2.39 2.07 -1.21 -1.44 116.25 119.70 1b4f h VAL 69 Ca 0.24 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1b4f h VAL 69 Cb -0.06 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1b4f h VAL 69 CO -0.05 0.55 0.34 -0.03 0.02 0.00 0.00 177.57 178.41 1b4f h MET 70 N 0.30 0.86 -0.60 1.57 1.85 -0.71 -1.37 114.93 116.82 1b4f h MET 70 Ca 0.01 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 58.98 1b4f h MET 70 Cb 1.06 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.89 1b4f h MET 70 CO 0.09 0.64 0.32 0.00 -0.40 0.00 0.00 176.91 177.56 1b4f h ARG 71 N 0.84 0.85 -0.58 0.39 3.08 -0.79 -0.87 114.38 117.31 1b4f h ARG 71 Ca 0.22 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1b4f h ARG 71 Cb 0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1b4f h ARG 71 CO -0.04 0.67 0.17 0.00 -1.07 0.00 0.00 179.97 179.70 1b4f h ALA 72 N 1.14 1.21 -0.31 0.04 0.00 -0.90 0.32 119.26 120.76 1b4f h ALA 72 Ca 0.21 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1b4f h ALA 72 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1b4f h ALA 72 CO -0.03 0.55 -0.07 0.37 0.00 0.00 0.00 179.25 180.07 1b4f h GLN 73 N 0.85 0.59 -0.76 0.00 4.15 -0.73 -2.13 115.11 117.09 1b4f h GLN 73 Ca 0.19 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1b4f h GLN 73 Cb 0.27 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1b4f h GLN 73 CO -0.01 0.77 0.36 0.52 -1.93 0.00 0.00 178.83 178.55 1b4f h MET 74 N 0.36 1.09 0.00 1.69 2.86 -0.90 -2.38 114.93 117.65 1b4f h MET 74 Ca 0.08 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1b4f h MET 74 Cb 0.55 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1b4f h MET 74 CO 0.03 0.85 -0.15 -0.91 1.06 0.00 0.00 176.91 177.79 1b4f h ASN 75 N 1.07 0.00 -2.66 1.22 2.35 -0.15 -3.44 115.58 113.96 1b4f h ASN 75 Ca 0.26 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.49 1b4f h ASN 75 Cb 0.12 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.55 1b4f h ASN 75 CO -0.03 0.15 1.02 0.00 -1.65 0.00 0.00 177.43 176.91 1b4f s GLN 76 N -4.69 4.12 0.00 0.81 -2.07 -0.82 -5.09 119.66 111.92 1b4f s GLN 76 Ca -0.04 2.61 0.00 0.00 -1.82 0.00 0.00 55.36 56.11 1b4f s GLN 76 Cb 0.16 -3.08 0.00 0.00 -1.09 0.00 0.00 33.01 29.00 1b4f s GLN 76 CO 0.69 -0.76 0.49 -0.89 -1.32 0.00 0.00 175.29 173.51