#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4f s ARG 5 N 0.00 1.82 0.43 1.09 1.81 -1.26 -5.11 118.95 117.73 1b4f s ARG 5 Ca 0.00 -1.90 -0.24 0.00 -1.72 0.00 0.00 55.73 51.87 1b4f s ARG 5 Cb 0.00 -1.73 -0.10 0.00 -0.45 0.00 0.00 34.95 32.67 1b4f s ARG 5 CO 0.00 0.17 1.08 -2.30 -0.68 0.00 0.00 175.30 173.57 1b4f n PRO 6 N -0.78 1.48 -1.71 3.54 -0.02 -1.26 -4.93 135.00 131.31 1b4f n PRO 6 Ca -0.05 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1b4f n PRO 6 Cb 0.63 -2.13 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1b4f n PRO 6 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b4f n ASP 7 N 0.37 1.90 -3.75 2.55 8.00 -1.26 -5.01 116.55 119.36 1b4f n ASP 7 Ca 0.09 0.83 -0.25 0.00 0.71 0.00 0.00 54.79 56.17 1b4f n ASP 7 Cb 0.39 -1.53 -0.17 0.00 -0.02 0.00 0.00 41.12 39.79 1b4f n ASP 7 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1b4f s TYR 8 N -1.40 0.80 0.00 1.24 5.04 -1.26 -5.00 117.35 116.77 1b4f s TYR 8 Ca 0.81 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1b4f s TYR 8 Cb -0.39 -0.90 0.00 0.00 0.35 0.00 0.00 41.96 41.02 1b4f s TYR 8 CO 0.42 -0.47 0.36 0.25 -1.34 0.00 0.00 175.55 174.77 1b4f n THR 9 N 5.11 0.13 -3.55 4.34 -2.24 -1.26 -5.11 114.28 111.70 1b4f n THR 9 Ca -0.08 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1b4f n THR 9 Cb 0.49 1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.13 -0.25 0.34 3.42 1.04 -1.26 -4.85 113.70 112.01 1b4f s SER 10 Ca 0.00 0.01 0.09 0.00 0.48 0.00 0.00 55.95 56.53 1b4f s SER 10 Cb 0.00 0.26 0.61 0.00 0.10 0.00 0.00 66.02 66.99 1b4f s SER 10 CO 0.00 -0.42 1.79 -0.26 0.98 0.00 0.00 173.24 175.33 1b4f h PHE 11 N 2.01 0.19 -2.66 5.02 0.04 -2.05 -3.43 116.94 116.07 1b4f h PHE 11 Ca -0.15 -0.04 -0.61 0.00 2.80 0.00 0.00 57.97 59.97 1b4f h PHE 11 Cb 1.20 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 39.17 1b4f h PHE 11 CO 0.27 0.49 -0.72 -0.80 -0.60 0.00 0.00 178.31 176.95 1b4f s ASN 12 N -6.89 4.11 0.37 2.17 0.01 -1.26 -5.14 114.94 108.31 1b4f s ASN 12 Ca -0.04 -0.72 0.02 0.00 -0.71 0.00 0.00 52.86 51.41 1b4f s ASN 12 Cb 0.14 -0.62 -0.02 0.00 0.41 0.00 0.00 41.25 41.16 1b4f s ASN 12 CO 0.75 0.07 0.56 0.42 -1.51 0.00 0.00 177.10 177.38 1b4f s THR 13 N -2.02 4.52 0.27 1.60 -4.23 -1.26 -4.97 115.64 109.54 1b4f s THR 13 Ca 0.27 -0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1b4f s THR 13 Cb -0.07 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.37 1b4f s THR 13 CO 0.16 -0.37 1.92 0.58 -0.54 0.00 0.00 174.62 176.36 1b4f h VAL 14 N 0.69 1.23 -0.92 2.29 2.07 -1.95 -1.79 116.25 117.88 1b4f h VAL 14 Ca -0.48 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1b4f h VAL 14 Cb 1.24 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1b4f h VAL 14 CO 0.58 0.25 0.58 0.44 0.02 0.00 0.00 177.57 179.44 1b4f h ASP 15 N 1.14 1.08 -0.00 0.57 3.32 -1.93 -0.60 116.42 119.99 1b4f h ASP 15 Ca 0.29 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1b4f h ASP 15 Cb -0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1b4f h ASP 15 CO -0.05 0.81 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.80 1b4f h GLU 16 N 1.26 0.30 -0.12 3.56 5.08 -1.73 -0.80 114.58 122.13 1b4f h GLU 16 Ca 0.33 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1b4f h GLU 16 Cb -0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1b4f h GLU 16 CO -0.07 0.46 -0.19 2.35 -1.00 0.00 0.00 179.01 180.56 1b4f h TRP 17 N 0.29 0.43 -0.55 4.33 7.01 -0.58 -0.93 115.95 125.94 1b4f h TRP 17 Ca 0.06 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 60.92 1b4f h TRP 17 Cb 0.43 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1b4f h TRP 17 CO 0.01 0.80 0.35 -0.07 -2.79 0.00 0.00 178.44 176.74 1b4f h LEU 18 N -0.07 0.59 -1.04 0.65 3.38 -0.92 -2.04 115.31 115.86 1b4f h LEU 18 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b4f h LEU 18 Cb 0.76 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1b4f h LEU 18 CO 0.04 0.42 0.56 -0.08 0.09 0.00 0.00 178.44 179.47 1b4f h GLU 19 N 0.70 1.22 -0.90 1.13 4.57 -1.12 0.99 114.58 121.17 1b4f h GLU 19 Ca 0.21 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1b4f h GLU 19 Cb -0.03 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.25 1b4f h GLU 19 CO -0.07 0.84 0.53 0.00 -1.18 0.00 0.00 179.01 179.13 1b4f h ALA 20 N 1.37 1.26 -0.53 2.92 0.00 -0.50 -2.32 119.26 121.47 1b4f h ALA 20 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1b4f h ALA 20 Cb -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.35 1b4f h ALA 20 CO -0.06 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.26 1b4f n ILE 21 N -4.36 1.88 -1.98 0.00 -5.35 -0.84 -4.93 119.36 103.79 1b4f n ILE 21 Ca 0.10 -1.07 -0.13 0.00 -0.27 0.00 0.00 62.75 61.37 1b4f n ILE 21 Cb 0.06 -0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.76 -1.01 -0.74 6.28 4.76 -0.87 -4.90 118.16 122.43 1b4f n LYS 22 Ca 0.23 0.74 -0.02 0.00 -2.87 0.00 0.00 58.31 56.39 1b4f n LYS 22 Cb 0.89 -4.93 0.23 0.00 -1.84 0.00 0.00 35.03 29.39 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 -2.38 2.47 0.29 1.97 2.81 0.31 -4.75 117.12 117.85 1b4f n MET 23 Ca -0.15 -3.04 0.19 0.00 -1.81 0.00 0.00 57.70 52.89 1b4f n MET 23 Cb 0.56 -1.91 0.99 0.00 -0.71 0.00 0.00 33.22 32.16 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 1.47 0.00 2.00 3.03 0.00 -1.83 -0.37 103.07 107.38 1b4f h GLY 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1b4f h GLY 24 CO 0.44 0.00 0.00 0.06 0.00 0.00 0.00 176.54 177.04 1b4f h GLN 25 N 0.00 0.00 -0.34 4.80 3.07 -1.91 -2.00 115.11 118.72 1b4f h GLN 25 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1b4f h GLN 25 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1b4f h GLN 25 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1b4f n TYR 26 N -2.78 0.43 -0.05 0.06 4.01 -0.15 -4.58 117.16 114.11 1b4f n TYR 26 Ca -0.01 -0.22 -0.08 0.00 -0.16 0.00 0.00 57.90 57.43 1b4f n TYR 26 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 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 4.20 -0.22 -0.54 -0.72 1.57 -1.52 -0.34 116.57 118.99 1b4f h LYS 27 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1b4f h LYS 27 Cb 0.92 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1b4f h LYS 27 CO 0.00 -0.15 -0.06 1.49 -0.57 0.00 0.00 179.45 180.17 1b4f h GLU 28 N -0.23 0.98 -0.38 3.15 4.81 -1.83 -2.08 114.58 119.00 1b4f h GLU 28 Ca 0.13 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1b4f h GLU 28 Cb 0.44 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1b4f h GLU 28 CO -0.37 1.00 0.16 0.77 -0.73 0.00 0.00 179.01 179.83 1b4f h SER 29 N 0.88 0.20 -0.46 1.04 0.02 -1.68 -1.45 113.55 112.10 1b4f h SER 29 Ca 0.15 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1b4f h SER 29 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1b4f h SER 29 CO 0.04 0.15 0.21 -0.26 -1.14 0.00 0.00 176.83 175.83 1b4f h PHE 30 N 0.33 0.67 0.31 3.45 -1.00 -0.74 -2.68 116.94 117.27 1b4f h PHE 30 Ca 0.17 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 1b4f h PHE 30 Cb 0.12 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.48 1b4f h PHE 30 CO -0.13 0.55 -0.15 0.00 -1.61 0.00 0.00 178.31 176.97 1b4f h ALA 31 N 1.05 -0.42 -0.92 2.45 0.00 -1.22 -0.60 119.26 119.61 1b4f h ALA 31 Ca 0.16 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1b4f h ALA 31 Cb 0.14 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1b4f h ALA 31 CO -0.02 -0.62 0.62 -0.91 0.00 0.00 0.00 179.25 178.32 1b4f h ASN 32 N -0.64 0.29 -0.11 0.00 -0.26 -1.29 0.72 115.58 114.30 1b4f h ASN 32 Ca -0.04 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1b4f h ASN 32 Cb 0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1b4f h ASN 32 CO 0.07 0.10 0.00 0.00 -1.06 0.00 0.00 177.43 176.54 1b4f n ALA 33 N -2.57 2.55 -0.82 -0.83 0.00 -1.01 -4.94 120.51 112.89 1b4f n ALA 33 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1b4f n ALA 33 Cb 0.80 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.10 0.65 2.92 0.00 0.00 0.25 -4.95 105.19 105.15 1b4f n GLY 34 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.68 2.69 0.98 1.61 3.72 -0.26 -4.67 117.46 118.85 1b4f n PHE 35 Ca 0.00 -2.71 0.11 0.00 -0.05 0.00 0.00 57.45 54.80 1b4f n PHE 35 Cb 0.00 -1.69 0.04 0.00 -0.94 0.00 0.00 39.48 36.88 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 2.59 0.00 -4.18 4.37 -2.24 -1.26 -4.51 114.28 109.05 1b4f n THR 36 Ca 0.35 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1b4f n THR 36 Cb 0.35 1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -2.24 1.32 0.49 3.42 1.04 -1.26 -4.61 113.70 111.87 1b4f s SER 37 Ca 0.22 -0.92 0.22 0.00 0.48 0.00 0.00 55.95 55.95 1b4f s SER 37 Cb 0.18 0.05 1.29 0.00 0.10 0.00 0.00 66.02 67.64 1b4f s SER 37 CO 0.45 -0.37 2.05 -0.26 0.98 0.00 0.00 173.24 176.09 1b4f h PHE 38 N 3.21 0.00 -0.34 5.02 0.04 -1.93 -1.47 116.94 121.48 1b4f h PHE 38 Ca -0.36 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.43 1b4f h PHE 38 Cb 1.18 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.30 1b4f h PHE 38 CO 0.62 0.14 0.17 0.22 -0.60 0.00 0.00 178.31 178.87 1b4f h ASP 39 N 0.00 0.26 0.84 2.17 3.58 -1.95 0.29 116.42 121.62 1b4f h ASP 39 Ca -0.00 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 1b4f h ASP 39 Cb 0.32 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1b4f h ASP 39 CO 0.02 0.19 -1.11 -0.37 -2.88 0.00 0.00 179.24 175.09 1b4f h VAL 40 N 0.36 1.61 -0.60 2.25 -1.51 -1.87 -3.30 116.25 113.19 1b4f h VAL 40 Ca 0.14 -3.27 -0.08 0.00 -1.23 0.00 0.00 66.70 62.26 1b4f h VAL 40 Cb 0.04 2.88 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 1b4f h VAL 40 CO -0.09 0.94 0.04 0.58 -1.23 0.00 0.00 177.57 177.81 1b4f h VAL 41 N 0.03 1.26 0.00 7.19 2.07 -1.01 -2.67 116.25 123.12 1b4f h VAL 41 Ca -0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1b4f h VAL 41 Cb 1.85 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1b4f h VAL 41 CO 0.16 0.39 0.00 0.77 0.02 0.00 0.00 177.57 178.91 1b4f h SER 42 N 0.93 0.00 -0.03 0.57 4.64 -0.51 -0.50 113.55 118.66 1b4f h SER 42 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1b4f h SER 42 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1b4f h SER 42 CO 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1b4f n GLN 43 N -2.70 2.20 -2.11 4.77 6.02 -1.01 -4.82 117.38 119.72 1b4f n GLN 43 Ca -0.02 -1.74 -0.40 0.00 -0.01 0.00 0.00 57.00 54.83 1b4f n GLN 43 Cb 0.08 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.00 4.09 0.45 -1.09 -1.94 -0.20 -5.04 119.30 113.56 1b4f s MET 44 Ca 0.30 2.12 0.02 0.00 -1.71 0.00 0.00 55.69 56.42 1b4f s MET 44 Cb 0.20 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 34.23 1b4f s MET 44 CO 0.31 -0.37 0.16 -1.33 -0.01 0.00 0.00 175.02 173.77 1b4f n MET 45 N 0.31 0.89 -0.20 2.03 2.81 -1.26 -5.00 117.12 116.71 1b4f n MET 45 Ca 0.03 -3.03 0.03 0.00 -1.81 0.00 0.00 57.70 52.92 1b4f n MET 45 Cb 0.44 0.59 0.30 0.00 -0.71 0.00 0.00 33.22 33.84 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 0.86 -0.08 0.03 1.85 -1.99 -1.29 114.93 114.32 1b4f h MET 46 Ca -0.33 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.65 1b4f h MET 46 Cb 1.08 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1b4f h MET 46 CO 0.53 0.57 -0.25 1.05 -0.40 0.00 0.00 176.91 178.42 1b4f h GLU 47 N 0.89 0.13 -0.18 0.39 4.11 -1.99 -0.88 114.58 117.06 1b4f h GLU 47 Ca 0.29 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.48 1b4f h GLU 47 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1b4f h GLU 47 CO -0.08 0.38 -0.70 -0.44 0.07 0.00 0.00 179.01 178.24 1b4f h ASP 48 N 0.12 0.86 -0.56 3.06 3.32 -1.63 -1.21 116.42 120.38 1b4f h ASP 48 Ca 0.02 -0.53 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1b4f h ASP 48 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1b4f h ASP 48 CO 0.04 1.32 0.10 0.40 -1.72 0.00 0.00 179.24 179.38 1b4f h ILE 49 N 0.53 1.25 -0.61 0.35 2.04 -1.09 -1.72 117.51 118.26 1b4f h ILE 49 Ca -0.03 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1b4f h ILE 49 Cb 1.31 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1b4f h ILE 49 CO 0.14 0.35 0.38 -0.07 0.00 0.00 0.00 178.15 178.95 1b4f h LEU 50 N 0.81 0.71 -1.29 1.44 3.38 -1.14 -0.71 115.31 118.52 1b4f h LEU 50 Ca 0.17 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1b4f h LEU 50 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1b4f h LEU 50 CO 0.01 0.54 -0.12 -0.09 0.09 0.00 0.00 178.44 178.87 1b4f h ARG 51 N 0.82 0.33 0.00 1.13 2.43 -0.83 -1.18 114.38 117.08 1b4f h ARG 51 Ca 0.22 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1b4f h ARG 51 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1b4f h ARG 51 CO -0.04 0.46 -0.39 0.28 -1.51 0.00 0.00 179.97 178.76 1b4f h VAL 52 N 0.32 0.98 0.00 0.20 2.07 -1.11 -3.47 116.25 115.23 1b4f h VAL 52 Ca 0.06 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1b4f h VAL 52 Cb 0.41 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1b4f h VAL 52 CO 0.02 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1b4f n GLY 53 N 0.11 1.64 3.40 2.17 0.00 -0.45 -4.78 105.19 107.29 1b4f n GLY 53 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 4.68 -0.18 1.61 1.01 -0.34 -4.86 120.40 120.32 1b4f s VAL 54 Ca 0.00 -0.86 0.20 0.00 0.00 0.00 0.00 61.98 61.32 1b4f s VAL 54 Cb 0.00 -4.56 -0.29 0.00 0.00 0.00 0.00 36.38 31.52 1b4f s VAL 54 CO 0.00 -1.24 0.50 0.35 0.00 0.00 0.00 175.10 174.71 1b4f n THR 55 N 5.63 0.00 -2.49 3.92 -2.24 -1.26 -4.19 114.28 113.64 1b4f n THR 55 Ca -0.06 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1b4f n THR 55 Cb 0.44 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -4.13 4.42 0.27 3.22 1.43 -1.26 -4.95 118.68 117.68 1b4f s LEU 56 Ca -0.05 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1b4f s LEU 56 Cb 0.13 -3.59 0.33 0.00 0.03 0.00 0.00 46.19 43.09 1b4f s LEU 56 CO 0.82 -0.34 1.94 0.00 0.23 0.00 0.00 176.35 179.00 1b4f h ALA 57 N 6.04 1.33 -0.61 4.21 0.00 -1.99 -1.58 119.26 126.66 1b4f h ALA 57 Ca -0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1b4f h ALA 57 Cb 1.21 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1b4f h ALA 57 CO 0.77 0.61 0.19 0.78 0.00 0.00 0.00 179.25 181.60 1b4f h GLY 58 N 1.28 0.99 1.72 0.00 0.00 -1.99 -0.63 103.07 104.43 1b4f h GLY 58 Ca 0.36 -0.55 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 1b4f h GLY 58 CO -0.09 0.52 -0.80 0.45 0.00 0.00 0.00 176.54 176.63 1b4f h HIS 59 N 0.90 0.38 -0.36 5.60 3.86 -1.83 -2.14 115.15 121.55 1b4f h HIS 59 Ca 0.20 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1b4f h HIS 59 Cb 0.26 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1b4f h HIS 59 CO 0.02 0.96 -0.25 1.96 0.86 0.00 0.00 177.93 181.47 1b4f h GLN 60 N 0.17 0.74 -0.52 2.45 4.20 -0.90 -1.29 115.11 119.95 1b4f h GLN 60 Ca -0.04 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 1b4f h GLN 60 Cb 1.39 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1b4f h GLN 60 CO 0.13 0.92 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.97 1b4f h LYS 61 N 0.64 0.93 -0.09 1.46 3.64 -1.02 0.48 116.57 122.61 1b4f h LYS 61 Ca 0.08 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1b4f h LYS 61 Cb 0.76 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1b4f h LYS 61 CO 0.06 0.96 0.04 -0.22 -2.27 0.00 0.00 179.45 178.02 1b4f h LYS 62 N 0.80 0.14 -0.27 1.90 1.63 -1.13 -0.86 116.57 118.78 1b4f h LYS 62 Ca 0.15 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1b4f h LYS 62 Cb 0.55 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1b4f h LYS 62 CO 0.03 0.26 0.03 0.82 -3.45 0.00 0.00 179.45 177.13 1b4f h ILE 63 N -0.01 1.24 -0.67 2.00 2.04 -1.15 -2.36 117.51 118.61 1b4f h ILE 63 Ca 0.03 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1b4f h ILE 63 Cb 0.17 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1b4f h ILE 63 CO -0.00 0.27 0.44 -0.07 0.00 0.00 0.00 178.15 178.79 1b4f h LEU 64 N 0.27 0.63 -0.53 1.44 3.38 -0.86 -1.21 115.31 118.43 1b4f h LEU 64 Ca 0.08 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1b4f h LEU 64 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1b4f h LEU 64 CO 0.01 0.42 0.03 -1.13 0.09 0.00 0.00 178.44 177.86 1b4f h ASN 65 N 0.73 0.90 -0.59 -0.43 -0.73 -0.97 -0.97 115.58 113.52 1b4f h ASN 65 Ca 0.28 -0.29 -0.06 0.00 1.87 0.00 0.00 56.30 58.10 1b4f h ASN 65 Cb 0.18 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1b4f h ASN 65 CO -0.08 0.97 0.12 0.28 -0.37 0.00 0.00 177.43 178.34 1b4f h SER 66 N 0.80 0.91 -0.86 1.15 0.02 -1.01 -1.81 113.55 112.76 1b4f h SER 66 Ca 0.16 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1b4f h SER 66 Cb 0.49 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1b4f h SER 66 CO 0.02 0.92 0.53 0.40 -1.14 0.00 0.00 176.83 177.57 1b4f h ILE 67 N 0.86 1.23 0.00 3.27 2.04 -1.10 0.23 117.51 124.04 1b4f h ILE 67 Ca 0.18 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 1b4f h ILE 67 Cb 0.38 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1b4f h ILE 67 CO 0.01 0.24 -0.46 -0.61 0.00 0.00 0.00 178.15 177.32 1b4f h GLN 68 N 1.18 0.00 -0.12 2.37 4.15 -0.63 -1.63 115.11 120.43 1b4f h GLN 68 Ca 0.31 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.50 1b4f h GLN 68 Cb -0.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1b4f h GLN 68 CO -0.06 0.46 -0.84 0.28 -1.93 0.00 0.00 178.83 176.74 1b4f h VAL 69 N 0.00 1.28 -0.52 2.39 2.07 -0.61 -1.73 116.25 119.12 1b4f h VAL 69 Ca -0.00 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.54 1b4f h VAL 69 Cb 0.86 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1b4f h VAL 69 CO 0.06 0.64 0.25 0.24 0.02 0.00 0.00 177.57 178.78 1b4f h MET 70 N 0.50 0.46 -0.51 1.57 2.86 -0.75 -1.28 114.93 117.79 1b4f h MET 70 Ca -0.07 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1b4f h MET 70 Cb 1.48 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1b4f h MET 70 CO 0.17 0.30 0.06 0.00 1.06 0.00 0.00 176.91 178.51 1b4f h ARG 71 N 0.47 0.85 -0.69 1.72 3.08 -1.18 -0.53 114.38 118.10 1b4f h ARG 71 Ca 0.23 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1b4f h ARG 71 Cb 0.17 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1b4f h ARG 71 CO -0.18 0.86 0.41 0.00 -1.07 0.00 0.00 179.97 179.99 1b4f h ALA 72 N 0.96 0.88 -0.31 0.04 0.00 -0.99 0.17 119.26 120.02 1b4f h ALA 72 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1b4f h ALA 72 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b4f h ALA 72 CO 0.01 0.37 0.15 1.96 0.00 0.00 0.00 179.25 181.74 1b4f h GLN 73 N 0.95 0.44 -0.86 0.00 4.20 -1.05 0.33 115.11 119.11 1b4f h GLN 73 Ca 0.25 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1b4f h GLN 73 Cb -0.02 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1b4f h GLN 73 CO -0.05 0.41 0.53 0.52 -0.67 0.00 0.00 178.83 179.58 1b4f h MET 74 N 0.37 1.16 -0.03 1.46 2.86 -0.81 -2.35 114.93 117.60 1b4f h MET 74 Ca 0.11 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1b4f h MET 74 Cb 0.11 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1b4f h MET 74 CO -0.01 0.80 -0.44 -0.91 1.06 0.00 0.00 176.91 177.41 1b4f h ASN 75 N 1.19 0.06 0.94 1.22 2.35 -0.15 -1.95 115.58 119.23 1b4f h ASN 75 Ca 0.31 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1b4f h ASN 75 Cb -0.07 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.29 1b4f h ASN 75 CO -0.06 0.49 -0.45 1.56 -1.65 0.00 0.00 177.43 177.32 1b4f h GLN 76 N 0.05 -1.21 -0.40 0.81 4.20 -0.54 -2.41 115.11 115.60 1b4f h GLN 76 Ca 0.00 0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.87 1b4f h GLN 76 Cb 0.80 0.28 -0.07 0.00 0.30 0.00 0.00 27.48 28.78 1b4f h GLN 76 CO 0.06 -0.81 -0.06 0.82 -0.67 0.00 0.00 178.83 178.17 1b4f h ILE 77 N -1.30 0.63 -0.34 2.54 2.04 -1.34 -1.83 117.51 117.92 1b4f h ILE 77 Ca -0.13 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1b4f h ILE 77 Cb 0.96 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1b4f h ILE 77 CO 0.21 0.01 0.24 1.56 0.00 0.00 0.00 178.15 180.17 1b4f h GLN 78 N 0.04 0.06 0.00 2.37 4.20 -1.33 0.99 115.11 121.43 1b4f h GLN 78 Ca 0.20 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1b4f h GLN 78 Cb 0.29 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1b4f h GLN 78 CO -0.38 0.04 0.00 -1.13 -0.67 0.00 0.00 178.83 176.68 1b4f n SER 79 N -4.45 0.00 0.00 1.46 3.41 -0.69 -5.11 113.62 108.25 1b4f n SER 79 Ca 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1b4f n SER 79 Cb 0.38 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1b4f n SER 79 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40