#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4f s PRO 6 N 0.00 1.41 0.56 2.89 0.02 -1.26 -4.94 135.00 133.69 1b4f s PRO 6 Ca 0.00 1.59 -0.20 0.00 0.02 0.00 0.00 61.00 62.41 1b4f s PRO 6 Cb 0.00 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1b4f s PRO 6 CO 0.00 -2.35 1.21 -0.51 -0.33 0.00 0.00 177.00 175.02 1b4f s ASP 7 N -2.54 5.44 -0.14 2.53 1.01 -1.26 -5.03 116.67 116.68 1b4f s ASP 7 Ca 0.69 2.39 -0.02 0.00 0.71 0.00 0.00 52.55 56.31 1b4f s ASP 7 Cb -0.24 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.13 1b4f s ASP 7 CO 0.54 -1.42 0.02 -0.47 0.21 0.00 0.00 175.17 174.06 1b4f s TYR 8 N -1.57 0.82 0.00 4.23 5.04 -1.26 -4.99 117.35 119.62 1b4f s TYR 8 Ca 0.74 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1b4f s TYR 8 Cb -0.30 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.09 1b4f s TYR 8 CO 0.34 -0.48 0.17 0.25 -1.34 0.00 0.00 175.55 174.49 1b4f n THR 9 N 5.11 0.00 -3.49 4.34 -2.24 -1.26 -5.10 114.28 111.64 1b4f n THR 9 Ca -0.08 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 1b4f n THR 9 Cb 0.48 1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 1b4f n THR 9 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b4f s SER 10 N -0.09 -0.41 0.27 3.42 1.04 -1.26 -4.85 113.70 111.82 1b4f s SER 10 Ca 0.00 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.50 1b4f s SER 10 Cb 0.00 0.44 0.34 0.00 0.10 0.00 0.00 66.02 66.90 1b4f s SER 10 CO 0.00 -0.71 1.61 -0.26 0.98 0.00 0.00 173.24 174.86 1b4f h PHE 11 N 2.00 0.16 -2.32 5.02 0.04 -2.04 -3.43 116.94 116.37 1b4f h PHE 11 Ca -0.25 -0.06 -0.55 0.00 2.80 0.00 0.00 57.97 59.91 1b4f h PHE 11 Cb 1.26 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 39.29 1b4f h PHE 11 CO 0.25 0.67 -0.62 -0.80 -0.60 0.00 0.00 178.31 177.22 1b4f s ASN 12 N -6.88 4.85 0.14 2.17 0.02 -1.26 -5.13 114.94 108.84 1b4f s ASN 12 Ca -0.03 -0.50 0.02 0.00 -1.02 0.00 0.00 52.86 51.34 1b4f s ASN 12 Cb 0.13 -1.03 -0.04 0.00 0.02 0.00 0.00 41.25 40.33 1b4f s ASN 12 CO 0.78 0.01 0.26 -0.89 0.02 0.00 0.00 177.10 177.27 1b4f s THR 13 N -2.17 5.25 0.24 1.60 2.01 -1.26 -4.99 115.64 116.33 1b4f s THR 13 Ca 0.31 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 1b4f s THR 13 Cb -0.07 -3.68 0.23 0.00 0.01 0.00 0.00 72.50 68.98 1b4f s THR 13 CO 0.21 -0.06 1.87 0.58 -0.69 0.00 0.00 174.62 176.54 1b4f h VAL 14 N 1.75 1.10 -0.96 3.82 2.07 -1.95 -1.18 116.25 120.89 1b4f h VAL 14 Ca -0.48 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1b4f h VAL 14 Cb 1.19 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1b4f h VAL 14 CO 0.69 0.20 0.64 0.44 0.02 0.00 0.00 177.57 179.55 1b4f h ASP 15 N 1.07 1.08 0.14 0.57 3.32 -1.94 -0.69 116.42 119.97 1b4f h ASP 15 Ca 0.37 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 1b4f h ASP 15 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1b4f h ASP 15 CO -0.15 0.76 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.43 1b4f h GLU 16 N 1.26 0.32 -0.18 3.56 5.08 -1.66 -1.90 114.58 121.05 1b4f h GLU 16 Ca 0.37 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1b4f h GLU 16 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1b4f h GLU 16 CO -0.10 0.65 0.02 2.35 -1.00 0.00 0.00 179.01 180.93 1b4f h TRP 17 N 0.27 0.33 -0.84 4.33 7.01 -0.64 -0.90 115.95 125.52 1b4f h TRP 17 Ca 0.03 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1b4f h TRP 17 Cb 0.79 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 1b4f h TRP 17 CO 0.02 0.49 0.46 -0.07 -2.79 0.00 0.00 178.44 176.54 1b4f h LEU 18 N 0.08 1.04 -0.52 0.65 3.38 -0.99 -1.21 115.31 117.74 1b4f h LEU 18 Ca 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1b4f h LEU 18 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1b4f h LEU 18 CO 0.01 0.84 0.17 -0.33 0.09 0.00 0.00 178.44 179.22 1b4f h GLU 19 N 1.17 0.80 0.00 1.13 4.39 -1.16 0.43 114.58 121.34 1b4f h GLU 19 Ca 0.30 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1b4f h GLU 19 Cb 0.03 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1b4f h GLU 19 CO -0.05 0.73 -0.16 0.00 -1.16 0.00 0.00 179.01 178.38 1b4f h ALA 20 N 1.03 1.63 -0.67 3.43 0.00 -0.48 -0.33 119.26 123.86 1b4f h ALA 20 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b4f h ALA 20 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1b4f h ALA 20 CO -0.01 0.20 0.00 0.44 0.00 0.00 0.00 179.25 179.88 1b4f n ILE 21 N -4.20 1.15 -2.47 0.00 -5.35 -0.52 -4.95 119.36 103.03 1b4f n ILE 21 Ca -0.02 -0.98 -0.16 0.00 -0.27 0.00 0.00 62.75 61.32 1b4f n ILE 21 Cb 0.23 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 1.41 -2.03 -0.99 6.28 4.76 -0.13 -4.90 118.16 122.56 1b4f n LYS 22 Ca 0.24 0.73 -0.07 0.00 -2.87 0.00 0.00 58.31 56.34 1b4f n LYS 22 Cb 0.66 -5.11 0.17 0.00 -1.84 0.00 0.00 35.03 28.91 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 -2.72 2.10 -0.00 1.97 2.81 0.14 -4.80 117.12 116.62 1b4f n MET 23 Ca -0.15 -3.40 0.22 0.00 -1.81 0.00 0.00 57.70 52.57 1b4f n MET 23 Cb 0.62 -1.87 0.72 0.00 -0.71 0.00 0.00 33.22 31.99 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 1.24 0.00 1.74 3.03 0.00 -1.84 -0.53 103.07 106.72 1b4f h GLY 24 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1b4f h GLY 24 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1b4f n GLN 25 N -4.02 0.12 -0.09 4.80 0.00 -1.26 -2.38 117.38 114.54 1b4f n GLN 25 Ca 0.11 0.20 0.12 0.00 0.00 0.00 0.00 57.00 57.43 1b4f n GLN 25 Cb 0.71 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.60 1b4f n GLN 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1b4f n TYR 26 N -1.37 0.24 -0.22 2.61 4.01 -0.21 -4.60 117.16 117.63 1b4f n TYR 26 Ca 0.05 -0.12 0.01 0.00 -0.16 0.00 0.00 57.90 57.68 1b4f n TYR 26 Cb 0.13 -0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.28 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 4.51 0.36 -0.27 -0.72 1.57 -1.63 0.51 116.57 120.89 1b4f h LYS 27 Ca 0.00 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1b4f h LYS 27 Cb 0.98 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1b4f h LYS 27 CO 0.00 0.24 -0.46 1.49 -0.57 0.00 0.00 179.45 180.15 1b4f h GLU 28 N 0.37 0.79 -0.68 3.15 4.81 -1.84 -2.16 114.58 119.02 1b4f h GLU 28 Ca 0.34 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1b4f h GLU 28 Cb 0.47 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1b4f h GLU 28 CO -0.36 1.12 0.36 0.77 -0.73 0.00 0.00 179.01 180.16 1b4f h SER 29 N 0.55 0.85 -0.19 1.04 0.02 -1.65 0.19 113.55 114.35 1b4f h SER 29 Ca 0.02 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1b4f h SER 29 Cb 1.06 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1b4f h SER 29 CO 0.10 0.70 -0.08 -0.26 -1.14 0.00 0.00 176.83 176.15 1b4f h PHE 30 N 0.96 0.45 0.02 3.45 -1.00 -0.81 -2.67 116.94 117.34 1b4f h PHE 30 Ca 0.24 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1b4f h PHE 30 Cb 0.05 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1b4f h PHE 30 CO 0.01 0.68 -0.01 0.00 -1.61 0.00 0.00 178.31 177.38 1b4f h ALA 31 N 0.70 -0.03 -0.79 2.45 0.00 -1.18 -0.10 119.26 120.31 1b4f h ALA 31 Ca 0.04 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1b4f h ALA 31 Cb 0.56 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1b4f h ALA 31 CO 0.03 -0.49 0.52 -0.91 0.00 0.00 0.00 179.25 178.39 1b4f h ASN 32 N -0.09 0.53 -0.17 0.00 -0.26 -0.65 -0.40 115.58 114.53 1b4f h ASN 32 Ca -0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1b4f h ASN 32 Cb 0.08 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1b4f h ASN 32 CO 0.01 0.29 0.00 0.00 -1.06 0.00 0.00 177.43 176.66 1b4f n ALA 33 N -2.48 2.51 -0.80 -0.83 0.00 -0.95 -4.91 120.51 113.06 1b4f n ALA 33 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1b4f n ALA 33 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.97 0.69 3.25 0.00 0.00 -0.16 -4.98 105.19 104.96 1b4f n GLY 34 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 4.24 0.22 1.61 3.72 -0.09 -4.72 117.46 119.87 1b4f n PHE 35 Ca 0.00 -3.13 0.06 0.00 -0.05 0.00 0.00 57.45 54.33 1b4f n PHE 35 Cb 0.00 -2.15 0.10 0.00 -0.94 0.00 0.00 39.48 36.49 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 4.31 0.41 -4.05 4.37 -2.24 -1.26 -4.44 114.28 111.37 1b4f n THR 36 Ca 0.39 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1b4f n THR 36 Cb 0.41 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.01 0.62 0.52 3.42 1.04 -1.26 -4.67 113.70 112.36 1b4f s SER 37 Ca 0.19 -0.68 0.26 0.00 0.48 0.00 0.00 55.95 56.20 1b4f s SER 37 Cb 0.11 0.10 1.45 0.00 0.10 0.00 0.00 66.02 67.78 1b4f s SER 37 CO 0.16 -0.35 2.09 -0.26 0.98 0.00 0.00 173.24 175.87 1b4f h PHE 38 N 4.08 0.00 -0.52 5.02 0.04 -1.94 -0.94 116.94 122.68 1b4f h PHE 38 Ca -0.34 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.43 1b4f h PHE 38 Cb 1.19 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 1b4f h PHE 38 CO 0.62 0.11 0.33 0.22 -0.60 0.00 0.00 178.31 178.99 1b4f h ASP 39 N 0.00 0.62 0.80 2.17 3.58 -1.95 0.18 116.42 121.83 1b4f h ASP 39 Ca -0.00 -0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.16 1b4f h ASP 39 Cb 0.28 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1b4f h ASP 39 CO 0.01 0.48 -1.21 1.62 -2.88 0.00 0.00 179.24 177.26 1b4f h VAL 40 N 0.70 1.48 -0.39 2.25 3.04 -1.86 -3.28 116.25 118.19 1b4f h VAL 40 Ca 0.19 -3.19 -0.08 0.00 -1.01 0.00 0.00 66.70 62.61 1b4f h VAL 40 Cb -0.03 2.78 -0.02 0.00 -2.01 0.00 0.00 31.29 32.01 1b4f h VAL 40 CO -0.04 0.87 -0.10 0.58 -1.01 0.00 0.00 177.57 177.86 1b4f h VAL 41 N 0.02 1.25 0.00 1.51 2.07 -0.91 -2.67 116.25 117.52 1b4f h VAL 41 Ca -0.10 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1b4f h VAL 41 Cb 1.87 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1b4f h VAL 41 CO 0.13 0.38 0.00 0.77 0.02 0.00 0.00 177.57 178.87 1b4f h SER 42 N 0.63 0.00 0.01 0.57 4.64 -0.70 -1.46 113.55 117.23 1b4f h SER 42 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1b4f h SER 42 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1b4f h SER 42 CO 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.85 1b4f n GLN 43 N -2.63 1.76 -2.19 4.77 6.02 -1.01 -4.86 117.38 119.23 1b4f n GLN 43 Ca 0.01 -1.35 -0.39 0.00 -0.01 0.00 0.00 57.00 55.25 1b4f n GLN 43 Cb 0.22 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 1b4f n GLN 43 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1b4f s MET 44 N -2.17 4.06 0.52 -1.09 -1.94 -0.55 -5.04 119.30 113.09 1b4f s MET 44 Ca 0.27 1.99 0.03 0.00 -1.71 0.00 0.00 55.69 56.27 1b4f s MET 44 Cb 0.20 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.29 1b4f s MET 44 CO 0.40 -0.36 0.15 1.41 -0.01 0.00 0.00 175.02 176.61 1b4f s MET 45 N -2.21 2.22 0.41 2.03 1.75 -1.26 -4.99 119.30 117.25 1b4f s MET 45 Ca 0.56 -2.25 0.13 0.00 -1.25 0.00 0.00 55.69 52.88 1b4f s MET 45 Cb -0.34 -1.75 0.98 0.00 2.84 0.00 0.00 34.83 36.56 1b4f s MET 45 CO 0.44 -0.45 1.92 1.98 -0.65 0.00 0.00 175.02 178.25 1b4f h MET 46 N 1.13 0.48 -0.44 4.11 1.85 -1.99 0.17 114.93 120.24 1b4f h MET 46 Ca -0.41 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.62 1b4f h MET 46 Cb 1.31 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 1b4f h MET 46 CO 0.68 0.32 0.16 0.93 -0.40 0.00 0.00 176.91 178.60 1b4f h GLU 47 N 0.50 0.63 -0.05 0.39 5.08 -1.99 0.48 114.58 119.62 1b4f h GLU 47 Ca 0.37 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.40 1b4f h GLU 47 Cb 0.75 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1b4f h GLU 47 CO -0.13 0.54 -0.92 -0.44 -1.00 0.00 0.00 179.01 177.06 1b4f h ASP 48 N 0.63 0.90 -0.85 1.42 3.32 -1.37 -1.24 116.42 119.23 1b4f h ASP 48 Ca 0.15 -0.70 -0.03 0.00 0.02 0.00 0.00 57.03 56.47 1b4f h ASP 48 Cb 0.16 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1b4f h ASP 48 CO -0.01 1.47 0.42 0.40 -1.72 0.00 0.00 179.24 179.81 1b4f h ILE 49 N 0.41 1.26 -0.53 0.35 2.04 -1.10 -0.19 117.51 119.75 1b4f h ILE 49 Ca -0.10 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 1b4f h ILE 49 Cb 1.57 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1b4f h ILE 49 CO 0.18 0.31 0.18 -0.07 0.00 0.00 0.00 178.15 178.75 1b4f h LEU 50 N 1.21 0.76 -1.43 1.44 3.38 -0.80 -2.19 115.31 117.68 1b4f h LEU 50 Ca 0.29 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1b4f h LEU 50 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1b4f h LEU 50 CO -0.04 0.75 0.39 -0.09 0.09 0.00 0.00 178.44 179.54 1b4f h ARG 51 N 0.72 0.76 0.00 1.13 2.43 -0.54 -0.82 114.38 118.05 1b4f h ARG 51 Ca 0.17 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1b4f h ARG 51 Cb 0.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1b4f h ARG 51 CO -0.01 0.50 -0.23 0.28 -1.51 0.00 0.00 179.97 179.00 1b4f h VAL 52 N 0.78 0.61 0.00 0.20 2.07 -0.75 -3.47 116.25 115.68 1b4f h VAL 52 Ca 0.21 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1b4f h VAL 52 Cb -0.08 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1b4f h VAL 52 CO -0.05 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1b4f n GLY 53 N 0.01 1.19 3.51 2.17 0.00 -0.31 -4.76 105.19 107.00 1b4f n GLY 53 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.34 -0.18 1.61 1.01 -0.87 -4.83 120.40 119.48 1b4f s VAL 54 Ca 0.00 0.15 0.17 0.00 0.00 0.00 0.00 61.98 62.30 1b4f s VAL 54 Cb 0.00 -4.59 -0.25 0.00 0.00 0.00 0.00 36.38 31.54 1b4f s VAL 54 CO 0.00 -1.23 0.16 0.35 0.00 0.00 0.00 175.10 174.38 1b4f n THR 55 N 6.15 1.42 -2.45 3.92 -2.24 -1.26 -4.41 114.28 115.40 1b4f n THR 55 Ca 0.01 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 1b4f n THR 55 Cb 0.47 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 -5.58 4.41 0.30 3.22 1.43 -1.26 -4.93 118.68 116.26 1b4f s LEU 56 Ca -0.09 2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1b4f s LEU 56 Cb 0.06 -3.59 0.49 0.00 0.03 0.00 0.00 46.19 43.19 1b4f s LEU 56 CO 0.83 -0.39 1.92 0.00 0.23 0.00 0.00 176.35 178.94 1b4f h ALA 57 N 6.23 1.48 -0.20 4.21 0.00 -1.99 -1.00 119.26 127.99 1b4f h ALA 57 Ca -0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1b4f h ALA 57 Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1b4f h ALA 57 CO 0.78 0.40 -0.21 0.78 0.00 0.00 0.00 179.25 181.00 1b4f h GLY 58 N 1.07 0.39 1.32 0.00 0.00 -2.00 -1.42 103.07 102.43 1b4f h GLY 58 Ca 0.38 -0.29 -0.27 0.00 0.00 0.00 0.00 47.33 47.15 1b4f h GLY 58 CO -0.13 0.26 -1.11 0.45 0.00 0.00 0.00 176.54 176.01 1b4f h HIS 59 N 0.33 0.91 -0.57 5.60 -0.00 -1.62 -2.59 115.15 117.21 1b4f h HIS 59 Ca 0.05 -0.53 0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1b4f h HIS 59 Cb 0.56 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1b4f h HIS 59 CO 0.01 1.37 0.35 1.96 -0.00 0.00 0.00 177.93 181.62 1b4f h GLN 60 N 0.30 0.67 -0.40 2.45 4.20 -1.10 -1.83 115.11 119.41 1b4f h GLN 60 Ca -0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1b4f h GLN 60 Cb 1.77 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.37 1b4f h GLN 60 CO 0.21 0.45 0.26 -0.22 -0.67 0.00 0.00 178.83 178.86 1b4f h LYS 61 N 0.70 0.52 -0.75 1.46 3.64 -1.28 0.16 116.57 121.01 1b4f h LYS 61 Ca 0.23 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1b4f h LYS 61 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1b4f h LYS 61 CO -0.09 0.35 0.28 -0.22 -2.27 0.00 0.00 179.45 177.49 1b4f h LYS 62 N 0.54 1.14 -0.33 1.90 1.63 -1.03 -0.17 116.57 120.25 1b4f h LYS 62 Ca 0.15 -0.22 -0.17 0.00 -0.85 0.00 0.00 60.65 59.56 1b4f h LYS 62 Cb -0.06 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1b4f h LYS 62 CO -0.03 0.95 -0.46 0.82 -3.45 0.00 0.00 179.45 177.28 1b4f h ILE 63 N 1.10 1.28 -0.31 2.00 2.04 -1.06 -2.17 117.51 120.38 1b4f h ILE 63 Ca 0.25 -1.63 -0.13 0.00 1.00 0.00 0.00 64.86 64.35 1b4f h ILE 63 Cb 0.25 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1b4f h ILE 63 CO -0.02 0.54 -0.33 -0.07 0.00 0.00 0.00 178.15 178.27 1b4f h LEU 64 N 0.68 0.71 -0.55 1.44 3.38 -0.43 -0.92 115.31 119.61 1b4f h LEU 64 Ca 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1b4f h LEU 64 Cb 1.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1b4f h LEU 64 CO 0.11 0.98 0.29 0.78 0.09 0.00 0.00 178.44 180.69 1b4f h ASN 65 N 0.57 0.70 -0.57 -0.43 4.21 -0.98 -0.36 115.58 118.72 1b4f h ASN 65 Ca 0.06 -0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.43 1b4f h ASN 65 Cb 0.84 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 1b4f h ASN 65 CO 0.07 0.61 0.22 -1.28 -1.29 0.00 0.00 177.43 175.76 1b4f h SER 66 N 0.75 0.79 -0.83 5.81 0.87 -1.08 -2.04 113.55 117.82 1b4f h SER 66 Ca 0.19 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1b4f h SER 66 Cb 0.07 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 1b4f h SER 66 CO -0.03 0.75 0.52 0.40 -0.53 0.00 0.00 176.83 177.95 1b4f h ILE 67 N 0.79 1.08 -0.75 2.23 2.04 -0.91 -0.47 117.51 121.51 1b4f h ILE 67 Ca 0.19 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1b4f h ILE 67 Cb 0.21 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1b4f h ILE 67 CO -0.01 0.18 0.46 -0.61 0.00 0.00 0.00 178.15 178.16 1b4f h GLN 68 N 0.98 1.02 -0.52 2.37 4.15 -0.41 -0.41 115.11 122.29 1b4f h GLN 68 Ca 0.35 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 1b4f h GLN 68 Cb 0.10 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1b4f h GLN 68 CO -0.15 0.72 -0.10 0.28 -1.93 0.00 0.00 178.83 177.65 1b4f h VAL 69 N 1.03 1.27 -0.53 2.39 2.07 -1.10 -2.13 116.25 119.24 1b4f h VAL 69 Ca 0.27 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1b4f h VAL 69 Cb -0.04 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1b4f h VAL 69 CO -0.05 0.43 0.32 -0.03 0.02 0.00 0.00 177.57 178.27 1b4f h MET 70 N 0.86 0.72 -0.47 1.57 -1.53 -0.76 -1.32 114.93 114.00 1b4f h MET 70 Ca 0.14 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.27 1b4f h MET 70 Cb 0.65 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.53 1b4f h MET 70 CO 0.04 0.51 0.05 0.00 0.14 0.00 0.00 176.91 177.66 1b4f h ARG 71 N 0.71 0.79 -0.28 0.39 3.08 -0.92 -0.63 114.38 117.53 1b4f h ARG 71 Ca 0.19 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1b4f h ARG 71 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1b4f h ARG 71 CO -0.04 0.82 0.08 0.00 -1.07 0.00 0.00 179.97 179.76 1b4f h ALA 72 N 0.94 1.62 0.09 0.04 0.00 -1.12 0.40 119.26 121.24 1b4f h ALA 72 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b4f h ALA 72 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1b4f h ALA 72 CO 0.01 0.29 -0.05 0.37 0.00 0.00 0.00 179.25 179.88 1b4f h GLN 73 N 0.39 -0.12 -0.95 0.00 4.15 -0.78 -1.32 115.11 116.48 1b4f h GLN 73 Ca 0.10 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.60 1b4f h GLN 73 Cb 0.14 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 1b4f h GLN 73 CO -0.01 0.33 0.61 0.52 -1.93 0.00 0.00 178.83 178.35 1b4f h MET 74 N -0.63 1.01 -0.47 1.69 2.86 -0.88 -0.32 114.93 118.19 1b4f h MET 74 Ca -0.01 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1b4f h MET 74 Cb 0.51 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1b4f h MET 74 CO 0.02 0.67 -0.19 -0.91 1.06 0.00 0.00 176.91 177.56 1b4f h ASN 75 N 1.04 0.94 -0.24 1.22 2.35 -0.85 -0.31 115.58 119.74 1b4f h ASN 75 Ca 0.42 -0.34 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1b4f h ASN 75 Cb 0.28 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1b4f h ASN 75 CO -0.18 1.11 -0.34 -0.61 -1.65 0.00 0.00 177.43 175.75 1b4f h GLN 76 N 0.81 0.66 -0.99 0.81 -0.00 -0.53 0.10 115.11 115.98 1b4f h GLN 76 Ca 0.11 -0.39 0.08 0.00 -0.00 0.00 0.00 58.65 58.46 1b4f h GLN 76 Cb 0.74 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 28.18 1b4f h GLN 76 CO 0.06 1.00 0.63 0.82 0.00 0.00 0.00 178.83 181.34 1b4f h ILE 77 N 0.38 1.03 0.00 2.39 2.04 -1.01 -0.88 117.51 121.45 1b4f h ILE 77 Ca 0.03 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1b4f h ILE 77 Cb 0.93 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1b4f h ILE 77 CO 0.08 0.20 -0.11 1.56 0.00 0.00 0.00 178.15 179.88 1b4f h GLN 78 N 1.10 0.00 -0.43 2.37 4.20 -0.06 -1.67 115.11 120.62 1b4f h GLN 78 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1b4f h GLN 78 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1b4f h GLN 78 CO -0.20 0.11 0.00 -1.13 -0.67 0.00 0.00 178.83 176.94 1b4f n SER 79 N -3.25 0.43 -0.75 1.46 3.41 0.26 -5.07 113.62 110.11 1b4f n SER 79 Ca 0.01 -1.80 0.09 0.00 -0.26 0.00 0.00 58.87 56.91 1b4f n SER 79 Cb 0.38 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.19 1b4f n SER 79 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40