#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b79 s PRO 27 N 0.00 2.33 0.00 0.52 0.04 -1.26 -5.02 135.00 131.61 1b79 s PRO 27 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1b79 s PRO 27 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1b79 s PRO 27 CO 0.00 -1.59 0.36 1.58 0.04 0.00 0.00 177.00 177.39 1b79 n HIS 28 N -3.41 0.00 -1.28 0.56 -0.00 -1.26 -4.95 115.22 104.89 1b79 n HIS 28 Ca 0.09 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.44 1b79 n HIS 28 Cb 0.53 -0.28 -0.05 0.00 -0.12 0.00 0.00 29.99 30.07 1b79 n HIS 28 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1b79 n SER 29 N -1.34 -7.54 -0.01 0.26 3.41 -1.26 -3.95 113.62 103.20 1b79 n SER 29 Ca 0.00 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.03 1b79 n SER 29 Cb 0.00 -3.95 -0.14 0.00 -0.26 0.00 0.00 64.21 59.86 1b79 n SER 29 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1b79 h ILE 30 N -1.20 0.81 -0.78 -1.33 1.08 -2.00 -3.36 117.51 110.73 1b79 h ILE 30 Ca 0.01 -2.60 0.16 0.00 -0.39 0.00 0.00 64.86 62.04 1b79 h ILE 30 Cb 1.30 2.48 -0.05 0.00 -3.07 0.00 0.00 36.82 37.48 1b79 h ILE 30 CO 0.01 0.65 0.52 -0.33 -0.69 0.00 0.00 178.15 178.32 1b79 h GLU 31 N 0.03 0.37 -0.37 2.37 3.07 -1.99 0.35 114.58 118.41 1b79 h GLU 31 Ca -0.32 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.46 1b79 h GLU 31 Cb 2.02 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.83 1b79 h GLU 31 CO 0.09 0.24 0.01 0.00 -1.40 0.00 0.00 179.01 177.95 1b79 h ALA 32 N 1.64 0.49 -0.37 3.43 0.00 -1.70 0.10 119.26 122.85 1b79 h ALA 32 Ca 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1b79 h ALA 32 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1b79 h ALA 32 CO -0.12 0.25 0.12 0.93 0.00 0.00 0.00 179.25 180.43 1b79 h GLU 33 N 0.46 0.56 -0.64 0.00 5.08 -0.73 -1.31 114.58 118.00 1b79 h GLU 33 Ca 0.10 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1b79 h GLU 33 Cb 0.44 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1b79 h GLU 33 CO 0.02 0.58 0.33 1.96 -1.00 0.00 0.00 179.01 180.89 1b79 h GLN 34 N 0.44 0.59 -0.42 2.33 4.20 -0.32 -0.63 115.11 121.30 1b79 h GLN 34 Ca 0.12 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1b79 h GLN 34 Cb 0.24 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1b79 h GLN 34 CO -0.00 0.39 -0.01 0.77 -0.67 0.00 0.00 178.83 179.31 1b79 h SER 35 N 0.61 0.64 0.05 1.46 0.02 -0.55 0.24 113.55 116.03 1b79 h SER 35 Ca 0.29 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1b79 h SER 35 Cb 0.23 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1b79 h SER 35 CO -0.20 0.72 -0.03 0.58 -1.14 0.00 0.00 176.83 176.76 1b79 h VAL 36 N 0.63 1.16 0.46 2.27 2.07 -0.08 0.12 116.25 122.89 1b79 h VAL 36 Ca 0.13 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1b79 h VAL 36 Cb 0.41 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1b79 h VAL 36 CO 0.02 0.18 -0.22 -0.07 0.02 0.00 0.00 177.57 177.50 1b79 h LEU 37 N -0.40 -0.52 -0.41 2.57 3.38 -0.93 -0.59 115.31 118.40 1b79 h LEU 37 Ca -0.01 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1b79 h LEU 37 Cb 0.36 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1b79 h LEU 37 CO 0.01 -0.22 0.16 1.23 0.09 0.00 0.00 178.44 179.71 1b79 h GLY 38 N -0.84 0.54 0.73 0.83 0.00 -0.61 0.07 103.07 103.79 1b79 h GLY 38 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.23 1b79 h GLY 38 CO 0.10 0.04 0.59 -1.33 0.00 0.00 0.00 176.54 175.94 1b79 h GLY 39 N 0.33 1.40 1.45 4.60 0.00 -0.94 0.34 103.07 110.25 1b79 h GLY 39 Ca 0.19 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1b79 h GLY 39 CO -0.18 0.30 -0.02 1.41 0.00 0.00 0.00 176.54 178.06 1b79 h LEU 40 N 1.07 0.64 -0.57 3.11 3.38 0.11 -0.26 115.31 122.80 1b79 h LEU 40 Ca 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1b79 h LEU 40 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1b79 h LEU 40 CO -0.17 0.73 0.29 0.24 0.09 0.00 0.00 178.44 179.62 1b79 h MET 41 N 0.63 0.81 0.00 1.13 2.86 0.90 -2.48 114.93 118.79 1b79 h MET 41 Ca 0.13 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1b79 h MET 41 Cb 0.42 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1b79 h MET 41 CO 0.02 0.64 -0.02 -0.07 1.06 0.00 0.00 176.91 178.54 1b79 h LEU 42 N 0.77 0.00 -6.26 1.22 3.38 -0.81 -3.38 115.31 110.23 1b79 h LEU 42 Ca 0.20 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.67 1b79 h LEU 42 Cb 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.49 1b79 h LEU 42 CO -0.03 0.02 -0.85 -0.62 0.09 0.00 0.00 178.44 177.06 1b79 s ASP 43 N -6.04 1.38 0.43 -0.43 -1.08 -0.15 -4.98 116.67 105.80 1b79 s ASP 43 Ca 0.05 -2.47 0.25 0.00 -0.52 0.00 0.00 52.55 49.86 1b79 s ASP 43 Cb 0.07 0.01 1.39 0.00 -1.46 0.00 0.00 42.92 42.92 1b79 s ASP 43 CO 0.63 -0.20 1.76 0.78 0.52 0.00 0.00 175.17 178.65 1b79 h ASN 44 N 6.11 0.00 0.28 -0.34 -0.26 -1.70 -2.29 115.58 117.39 1b79 h ASN 44 Ca 0.16 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.71 1b79 h ASN 44 Cb 0.97 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.23 1b79 h ASN 44 CO 0.28 0.00 -0.77 -0.33 -1.06 0.00 0.00 177.43 175.54 1b79 h GLU 45 N 0.00 0.40 0.00 0.81 4.39 -1.94 -3.18 114.58 115.06 1b79 h GLU 45 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1b79 h GLU 45 Cb 0.20 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1b79 h GLU 45 CO 0.00 1.00 0.00 0.54 -1.16 0.00 0.00 179.01 179.39 1b79 n ARG 46 N -3.81 0.43 0.34 2.33 1.74 -0.86 -3.94 116.66 112.88 1b79 n ARG 46 Ca -0.05 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 1b79 n ARG 46 Cb 0.73 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.95 1b79 n ARG 46 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1b79 h TRP 47 N 0.00 -1.34 -0.87 -1.55 2.91 -1.75 -2.47 115.95 110.89 1b79 h TRP 47 Ca 0.00 0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.24 1b79 h TRP 47 Cb 0.00 0.51 -0.13 0.00 -0.51 0.00 0.00 29.16 29.03 1b79 h TRP 47 CO 0.00 -0.68 0.32 -0.44 -1.03 0.00 0.00 178.44 176.61 1b79 h ASP 48 N -1.06 0.19 -0.30 2.65 3.32 -1.87 0.26 116.42 119.62 1b79 h ASP 48 Ca -0.08 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1b79 h ASP 48 Cb 0.89 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1b79 h ASP 48 CO -0.00 -0.05 0.16 0.44 -1.72 0.00 0.00 179.24 178.07 1b79 h ASP 49 N 0.32 0.37 -0.47 6.45 5.19 -1.81 -0.84 116.42 125.64 1b79 h ASP 49 Ca 0.54 -0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.77 1b79 h ASP 49 Cb 1.03 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 1b79 h ASP 49 CO -0.56 0.36 -0.06 0.58 -3.12 0.00 0.00 179.24 176.43 1b79 h VAL 50 N 0.36 1.27 -0.80 -1.35 2.07 -0.69 -2.98 116.25 114.13 1b79 h VAL 50 Ca 0.10 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1b79 h VAL 50 Cb 0.07 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1b79 h VAL 50 CO -0.02 0.40 0.41 0.00 0.02 0.00 0.00 177.57 178.38 1b79 h ALA 51 N 0.90 1.21 0.00 1.67 0.00 -0.35 -0.20 119.26 122.49 1b79 h ALA 51 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b79 h ALA 51 Cb 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b79 h ALA 51 CO 0.04 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.29 1b79 n GLU 52 N -4.33 0.17 -0.03 0.00 1.02 -0.34 -3.57 120.64 113.57 1b79 n GLU 52 Ca 0.08 0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1b79 n GLU 52 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1b79 n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b79 n ARG 53 N -1.37 3.07 -4.22 3.49 1.74 -0.70 -5.08 116.66 113.59 1b79 n ARG 53 Ca 0.07 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1b79 n ARG 53 Cb 0.18 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1b79 n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b79 s VAL 54 N -2.14 0.57 0.10 1.55 0.11 -0.17 -4.67 120.40 115.75 1b79 s VAL 54 Ca -0.03 -1.96 0.03 0.00 -2.93 0.00 0.00 61.98 57.09 1b79 s VAL 54 Cb 0.02 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1b79 s VAL 54 CO 0.23 -0.50 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.73 1b79 s VAL 55 N -3.73 0.80 0.21 2.04 1.01 -1.26 -4.55 120.40 114.93 1b79 s VAL 55 Ca 0.23 -1.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1b79 s VAL 55 Cb 0.06 -1.49 0.21 0.00 0.00 0.00 0.00 36.38 35.15 1b79 s VAL 55 CO 0.03 -0.72 1.58 0.00 0.00 0.00 0.00 175.10 175.99 1b79 h ALA 56 N 3.28 0.13 0.00 5.51 0.00 -1.92 0.23 119.26 126.48 1b79 h ALA 56 Ca -0.36 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b79 h ALA 56 Cb 1.18 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1b79 h ALA 56 CO 0.59 -0.61 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1b79 n ASP 57 N -5.47 0.00 0.11 0.00 8.00 -1.26 -2.10 116.55 115.84 1b79 n ASP 57 Ca 0.08 -0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.61 1b79 n ASP 57 Cb 0.38 -0.16 0.35 0.00 -0.02 0.00 0.00 41.12 41.68 1b79 n ASP 57 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1b79 h ASP 58 N 0.00 0.00 -3.90 -2.24 3.32 -1.31 -3.45 116.42 108.83 1b79 h ASP 58 Ca 0.00 -0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.56 1b79 h ASP 58 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1b79 h ASP 58 CO 0.00 0.01 0.31 -0.36 -1.72 0.00 0.00 179.24 177.48 1b79 s PHE 59 N -3.12 3.55 0.00 4.55 0.40 -0.89 -4.83 117.98 117.63 1b79 s PHE 59 Ca 0.10 1.66 -0.01 0.00 -0.60 0.00 0.00 56.93 58.08 1b79 s PHE 59 Cb 0.12 -2.85 -0.00 0.00 0.51 0.00 0.00 43.02 40.79 1b79 s PHE 59 CO 0.62 0.11 0.66 1.88 0.70 0.00 0.00 175.22 179.19 1b79 h TYR 60 N 2.73 -0.02 -4.15 0.36 0.05 -1.89 -3.46 116.97 110.58 1b79 h TYR 60 Ca -0.48 -0.00 -0.50 0.00 0.05 0.00 0.00 58.73 57.81 1b79 h TYR 60 Cb 1.19 0.01 0.07 0.00 1.01 0.00 0.00 36.73 39.01 1b79 h TYR 60 CO 0.62 -0.01 0.39 0.95 -1.05 0.00 0.00 178.16 179.06 1b79 s THR 61 N -2.36 3.43 0.06 -2.88 -4.23 -1.26 -4.98 115.64 103.43 1b79 s THR 61 Ca -0.00 0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 61.04 1b79 s THR 61 Cb 0.00 -3.27 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 1b79 s THR 61 CO 0.01 -0.32 1.57 -0.09 -0.54 0.00 0.00 174.62 175.25 1b79 h ARG 62 N 0.66 0.11 -0.61 3.99 9.65 -1.98 -2.72 114.38 123.48 1b79 h ARG 62 Ca -0.48 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.50 1b79 h ARG 62 Cb 1.24 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.69 1b79 h ARG 62 CO 0.56 0.26 -0.11 -1.35 2.80 0.00 0.00 179.97 182.14 1b79 h PRO 63 N -0.07 0.03 -0.82 0.20 0.11 -1.87 -1.11 132.00 128.47 1b79 h PRO 63 Ca 0.02 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1b79 h PRO 63 Cb 0.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1b79 h PRO 63 CO -0.00 0.02 0.42 0.45 -0.21 0.00 0.00 178.00 178.68 1b79 h HIS 64 N 0.03 1.14 -0.50 0.65 3.86 -1.87 0.69 115.15 119.15 1b79 h HIS 64 Ca 0.30 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1b79 h HIS 64 Cb 0.47 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1b79 h HIS 64 CO -0.46 0.81 0.08 0.00 0.86 0.00 0.00 177.93 179.22 1b79 h ARG 65 N 1.15 0.84 -0.09 2.45 3.08 -0.97 -0.65 114.38 120.19 1b79 h ARG 65 Ca 0.29 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b79 h ARG 65 Cb 0.07 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1b79 h ARG 65 CO -0.04 0.83 0.04 1.25 -1.07 0.00 0.00 179.97 180.98 1b79 h HIS 66 N 0.71 0.12 -0.33 3.04 2.76 -0.65 0.10 115.15 120.91 1b79 h HIS 66 Ca 0.15 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1b79 h HIS 66 Cb 0.40 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1b79 h HIS 66 CO 0.03 0.19 0.15 0.82 -1.30 0.00 0.00 177.93 177.82 1b79 h ILE 67 N 0.02 0.96 -0.44 6.26 2.04 -0.73 -0.66 117.51 124.96 1b79 h ILE 67 Ca 0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1b79 h ILE 67 Cb 0.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1b79 h ILE 67 CO -0.00 0.06 0.29 0.15 0.00 0.00 0.00 178.15 178.64 1b79 h PHE 68 N 0.31 0.56 -0.73 1.37 3.57 -0.86 0.11 116.94 121.27 1b79 h PHE 68 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1b79 h PHE 68 Cb 0.07 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1b79 h PHE 68 CO -0.11 0.36 0.47 1.15 -2.23 0.00 0.00 178.31 177.95 1b79 h THR 69 N 0.59 1.14 -0.10 4.41 2.02 -0.74 -0.54 112.91 119.69 1b79 h THR 69 Ca 0.16 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1b79 h THR 69 Cb -0.06 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1b79 h THR 69 CO -0.03 0.17 0.06 -0.08 0.37 0.00 0.00 175.52 176.01 1b79 h GLU 70 N 0.94 0.12 -0.27 6.66 4.57 -0.23 -0.27 114.58 126.10 1b79 h GLU 70 Ca 0.28 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1b79 h GLU 70 Cb -0.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1b79 h GLU 70 CO -0.08 0.08 0.06 0.52 -1.18 0.00 0.00 179.01 178.41 1b79 h MET 71 N 0.13 0.39 0.15 1.92 2.86 -0.49 0.37 114.93 120.26 1b79 h MET 71 Ca 0.04 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1b79 h MET 71 Cb -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1b79 h MET 71 CO -0.01 0.37 -0.07 0.00 1.06 0.00 0.00 176.91 178.25 1b79 h ALA 72 N 1.69 -0.20 0.26 6.32 0.00 -0.29 0.45 119.26 127.48 1b79 h ALA 72 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1b79 h ALA 72 Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1b79 h ALA 72 CO -0.00 -0.54 -0.32 -0.09 0.00 0.00 0.00 179.25 178.30 1b79 h ARG 73 N -0.36 -0.60 0.11 0.00 2.43 -0.49 0.99 114.38 116.45 1b79 h ARG 73 Ca -0.02 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1b79 h ARG 73 Cb 0.29 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1b79 h ARG 73 CO 0.03 -0.40 -0.40 -0.07 -1.51 0.00 0.00 179.97 177.63 1b79 h LEU 74 N -0.62 -1.17 -1.27 3.80 3.38 -0.89 -1.96 115.31 116.58 1b79 h LEU 74 Ca -0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1b79 h LEU 74 Cb 0.59 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1b79 h LEU 74 CO -0.10 -0.47 0.46 -0.61 0.09 0.00 0.00 178.44 177.81 1b79 h GLN 75 N -0.62 0.95 0.00 1.13 5.75 -0.82 -0.84 115.11 120.66 1b79 h GLN 75 Ca 0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1b79 h GLN 75 Cb 0.66 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1b79 h GLN 75 CO -0.24 0.64 0.00 0.39 -2.65 0.00 0.00 178.83 176.97 1b79 n GLU 76 N -4.42 0.36 -0.13 1.69 -0.58 0.33 -2.41 120.64 115.49 1b79 n GLU 76 Ca 0.08 0.06 0.04 0.00 -0.42 0.00 0.00 57.16 56.92 1b79 n GLU 76 Cb 0.04 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.52 1b79 n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1b79 n SER 77 N -1.27 2.68 0.00 1.62 3.41 -0.44 -4.98 113.62 114.65 1b79 n SER 77 Ca 0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1b79 n SER 77 Cb 0.18 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1b79 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b79 n GLY 78 N 0.24 0.81 3.86 5.00 0.00 -1.01 -5.06 105.19 109.03 1b79 n GLY 78 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1b79 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b79 s SER 79 N -2.90 6.70 0.75 1.61 0.01 -0.53 -4.99 113.70 114.36 1b79 s SER 79 Ca 0.00 0.93 -0.12 0.00 1.31 0.00 0.00 55.95 58.07 1b79 s SER 79 Cb 0.00 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 64.05 1b79 s SER 79 CO 0.00 0.06 1.12 -2.84 0.41 0.00 0.00 173.24 171.99 1b79 s PRO 80 N -2.25 2.23 -0.20 12.44 0.02 -1.26 -3.43 135.00 142.55 1b79 s PRO 80 Ca 0.40 1.34 0.14 0.00 0.02 0.00 0.00 61.00 62.90 1b79 s PRO 80 Cb -0.13 -1.88 0.42 0.00 0.02 0.00 0.00 34.50 32.93 1b79 s PRO 80 CO 0.20 -1.69 1.30 0.44 -0.33 0.00 0.00 177.00 176.92 1b79 n ILE 81 N -3.22 2.22 -1.31 2.83 -5.35 -1.26 -4.56 119.36 108.71 1b79 n ILE 81 Ca 0.10 -2.62 -0.31 0.00 -0.27 0.00 0.00 62.75 59.66 1b79 n ILE 81 Cb 0.52 -0.26 0.10 0.00 -1.74 0.00 0.00 39.64 38.26 1b79 n ILE 81 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1b79 s ASP 82 N -2.74 4.32 0.23 7.28 -4.77 -1.26 -4.36 116.67 115.36 1b79 s ASP 82 Ca 0.39 1.65 -0.12 0.00 -3.30 0.00 0.00 52.55 51.17 1b79 s ASP 82 Cb 0.35 -2.37 0.29 0.00 -1.09 0.00 0.00 42.92 40.10 1b79 s ASP 82 CO 0.00 -2.13 1.61 0.25 0.70 0.00 0.00 175.17 175.61 1b79 h LEU 83 N -1.19 -0.65 0.04 2.11 5.85 -1.96 -1.02 115.31 118.49 1b79 h LEU 83 Ca -0.46 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1b79 h LEU 83 Cb 1.25 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1b79 h LEU 83 CO 0.54 -0.23 -0.02 0.40 -0.34 0.00 0.00 178.44 178.78 1b79 h ILE 84 N 0.00 1.06 -0.33 4.05 2.04 -1.97 0.33 117.51 122.69 1b79 h ILE 84 Ca 0.35 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1b79 h ILE 84 Cb 0.53 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1b79 h ILE 84 CO -0.73 0.08 0.22 0.74 0.00 0.00 0.00 178.15 178.46 1b79 h THR 85 N -0.19 1.09 0.91 -0.27 2.02 -1.78 -1.37 112.91 113.31 1b79 h THR 85 Ca -0.01 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1b79 h THR 85 Cb 0.17 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1b79 h THR 85 CO 0.01 0.08 -0.44 0.25 0.37 0.00 0.00 175.52 175.80 1b79 h LEU 86 N 0.45 -1.03 -1.71 2.58 5.85 -1.12 -1.72 115.31 118.61 1b79 h LEU 86 Ca 0.12 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1b79 h LEU 86 Cb -0.05 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1b79 h LEU 86 CO -0.03 -0.73 0.37 0.00 -0.34 0.00 0.00 178.44 177.72 1b79 h ALA 87 N -1.15 2.08 -0.23 1.25 0.00 -0.92 -1.26 119.26 119.03 1b79 h ALA 87 Ca -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1b79 h ALA 87 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1b79 h ALA 87 CO 0.20 -0.20 -0.01 1.49 0.00 0.00 0.00 179.25 180.73 1b79 h GLU 88 N 0.33 0.41 -0.22 0.00 4.81 -1.04 -2.27 114.58 116.61 1b79 h GLU 88 Ca 0.25 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1b79 h GLU 88 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1b79 h GLU 88 CO -0.06 0.60 -0.49 0.66 -0.73 0.00 0.00 179.01 178.99 1b79 h SER 89 N 0.18 0.65 0.27 1.04 4.64 -0.63 -2.12 113.55 117.57 1b79 h SER 89 Ca 0.06 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 1b79 h SER 89 Cb 0.42 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1b79 h SER 89 CO 0.01 1.03 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.55 1b79 h LEU 90 N 0.47 0.18 -0.04 5.97 3.38 -1.26 -2.92 115.31 121.10 1b79 h LEU 90 Ca 0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1b79 h LEU 90 Cb 1.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1b79 h LEU 90 CO 0.10 0.56 -0.30 -0.08 0.09 0.00 0.00 178.44 178.80 1b79 h GLU 91 N 0.15 0.28 0.00 1.13 4.81 -1.32 -0.51 114.58 119.11 1b79 h GLU 91 Ca 0.01 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1b79 h GLU 91 Cb 0.76 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1b79 h GLU 91 CO 0.06 0.91 0.00 0.54 -0.73 0.00 0.00 179.01 179.79 1b79 n ARG 92 N -4.45 0.01 -0.08 1.92 1.74 -0.81 -1.05 116.66 113.94 1b79 n ARG 92 Ca -0.09 0.39 0.03 0.00 -0.77 0.00 0.00 57.85 57.41 1b79 n ARG 92 Cb 0.50 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 1b79 n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b79 n GLN 93 N -1.43 2.94 -0.43 5.56 6.02 -1.11 -4.99 117.38 123.93 1b79 n GLN 93 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 1b79 n GLN 93 Cb 0.03 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1b79 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b79 n GLY 94 N -0.03 0.57 0.17 1.08 0.00 -0.21 -4.79 105.19 101.96 1b79 n GLY 94 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1b79 n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b79 n GLN 95 N -2.00 1.02 -0.30 1.61 6.02 -0.36 -3.99 117.38 119.38 1b79 n GLN 95 Ca 0.00 -0.33 0.02 0.00 -0.01 0.00 0.00 57.00 56.68 1b79 n GLN 95 Cb 0.00 -1.49 0.22 0.00 1.02 0.00 0.00 30.24 29.99 1b79 n GLN 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1b79 h LEU 96 N 0.81 0.94 -0.41 1.08 5.85 -1.45 -2.01 115.31 120.12 1b79 h LEU 96 Ca 0.00 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1b79 h LEU 96 Cb 0.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1b79 h LEU 96 CO 0.00 0.63 -0.17 0.44 -0.34 0.00 0.00 178.44 179.00 1b79 h ASP 97 N 1.08 0.87 0.14 1.25 3.32 -1.88 0.22 116.42 121.42 1b79 h ASP 97 Ca 0.37 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1b79 h ASP 97 Cb 0.08 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1b79 h ASP 97 CO -0.12 1.06 -0.03 0.77 -1.72 0.00 0.00 179.24 179.21 1b79 h SER 98 N 0.66 0.00 0.70 6.45 4.64 -1.61 -2.00 113.55 122.39 1b79 h SER 98 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1b79 h SER 98 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1b79 h SER 98 CO 0.05 0.03 -0.83 0.52 -0.87 0.00 0.00 176.83 175.74 1b79 n VAL 99 N -3.53 0.30 0.00 0.95 0.31 -0.99 -4.60 118.33 110.77 1b79 n VAL 99 Ca -0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1b79 n VAL 99 Cb 0.12 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1b79 n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b79 n GLY 100 N 1.33 1.29 0.45 2.92 0.00 -0.75 -4.79 105.19 105.64 1b79 n GLY 100 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1b79 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b79 n GLY 101 N 0.00 -2.03 0.35 -0.02 0.00 0.78 -3.41 105.19 100.86 1b79 n GLY 101 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.68 1b79 n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1b79 h PHE 102 N -0.43 0.81 -0.78 1.61 3.57 -1.97 -2.69 116.94 117.06 1b79 h PHE 102 Ca -0.02 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1b79 h PHE 102 Cb 0.42 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 38.79 1b79 h PHE 102 CO -0.20 0.46 0.31 0.00 -2.23 0.00 0.00 178.31 176.64 1b79 h ALA 103 N 1.59 1.11 -0.31 2.41 0.00 -1.98 0.23 119.26 122.32 1b79 h ALA 103 Ca 0.29 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1b79 h ALA 103 Cb 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b79 h ALA 103 CO -0.09 -0.24 -0.36 -0.92 0.00 0.00 0.00 179.25 177.65 1b79 h TYR 104 N 0.43 0.97 -0.70 0.00 3.20 -1.50 -0.76 116.97 118.60 1b79 h TYR 104 Ca 0.44 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1b79 h TYR 104 Cb 0.70 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1b79 h TYR 104 CO -0.17 1.09 0.26 -0.07 -1.64 0.00 0.00 178.16 177.62 1b79 h LEU 105 N 0.57 0.97 -0.40 2.82 3.38 -1.18 -0.51 115.31 120.96 1b79 h LEU 105 Ca 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1b79 h LEU 105 Cb 0.95 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1b79 h LEU 105 CO 0.09 0.88 0.18 0.00 0.09 0.00 0.00 178.44 179.68 1b79 h ALA 106 N 1.25 0.52 -0.71 1.53 0.00 -0.43 -1.59 119.26 119.84 1b79 h ALA 106 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1b79 h ALA 106 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1b79 h ALA 106 CO -0.02 0.11 0.45 1.49 0.00 0.00 0.00 179.25 181.28 1b79 h GLU 107 N 0.51 0.86 -0.65 0.00 4.81 -0.61 -1.11 114.58 118.40 1b79 h GLU 107 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1b79 h GLU 107 Cb 0.16 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1b79 h GLU 107 CO -0.01 0.57 0.29 -0.07 -0.73 0.00 0.00 179.01 179.05 1b79 h LEU 108 N 0.89 0.87 -1.01 1.64 3.38 -0.82 0.14 115.31 120.39 1b79 h LEU 108 Ca 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1b79 h LEU 108 Cb -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1b79 h LEU 108 CO -0.10 0.78 0.45 -1.28 0.09 0.00 0.00 178.44 178.38 1b79 h SER 109 N 0.90 1.02 0.14 -0.43 0.87 -0.71 -3.14 113.55 112.20 1b79 h SER 109 Ca 0.22 -0.09 -0.30 0.00 -1.23 0.00 0.00 61.79 60.40 1b79 h SER 109 Cb 0.16 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1b79 h SER 109 CO -0.02 0.82 -1.50 0.11 -0.53 0.00 0.00 176.83 175.71 1b79 h LYS 110 N 1.15 0.29 -0.64 2.24 1.57 -1.00 -3.39 116.57 116.78 1b79 h LYS 110 Ca 0.29 -0.49 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1b79 h LYS 110 Cb 0.03 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1b79 h LYS 110 CO -0.05 1.24 0.21 -0.91 -0.57 0.00 0.00 179.45 179.37 1b79 h ASN 111 N -0.19 0.89 -3.26 0.86 4.21 -1.05 -3.42 115.58 113.62 1b79 h ASN 111 Ca -0.31 -0.15 -0.57 0.00 1.21 0.00 0.00 56.30 56.48 1b79 h ASN 111 Cb 1.85 -0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 38.77 1b79 h ASN 111 CO 0.09 0.83 0.93 0.42 -1.29 0.00 0.00 177.43 178.42 1b79 s THR 112 N -5.35 4.26 0.40 2.81 -4.23 -1.19 -5.01 115.64 107.33 1b79 s THR 112 Ca -0.11 1.41 -0.25 0.00 -1.18 0.00 0.00 61.69 61.56 1b79 s THR 112 Cb 0.16 -4.29 -0.09 0.00 1.34 0.00 0.00 72.50 69.62 1b79 s THR 112 CO 0.81 -0.54 1.19 -2.16 -0.54 0.00 0.00 174.62 173.38 1b79 s PRO 113 N 4.06 4.06 0.56 3.99 0.04 -1.26 -4.84 135.00 141.61 1b79 s PRO 113 Ca 0.52 1.89 0.36 0.00 0.04 0.00 0.00 61.00 63.81 1b79 s PRO 113 Cb -0.14 -2.71 1.68 0.00 0.04 0.00 0.00 34.50 33.37 1b79 s PRO 113 CO 0.22 -0.33 2.08 0.66 0.04 0.00 0.00 177.00 179.67 1b79 h SER 114 N 2.69 0.00 -0.88 6.66 4.64 -1.96 -3.29 113.55 121.41 1b79 h SER 114 Ca -0.49 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.11 1b79 h SER 114 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 1b79 h SER 114 CO 0.63 0.00 2.75 0.00 -0.87 0.00 0.00 176.83 179.34 1b79 n ALA 115 N -2.05 6.94 -2.85 5.18 0.00 -1.26 -4.92 120.51 121.56 1b79 n ALA 115 Ca -0.01 -3.96 -0.09 0.00 0.00 0.00 0.00 53.44 49.38 1b79 n ALA 115 Cb 0.21 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 16.63 1b79 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b79 s ALA 116 N -0.31 0.06 -0.74 0.00 0.00 -1.24 -5.10 121.76 114.42 1b79 s ALA 116 Ca 0.57 -0.58 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 1b79 s ALA 116 Cb 0.18 0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.60 1b79 s ALA 116 CO -0.08 -0.22 0.89 1.21 0.00 0.00 0.00 175.76 177.56 1b79 s ASN 117 N -1.73 6.41 0.27 0.00 3.84 -1.26 -4.91 114.94 117.55 1b79 s ASN 117 Ca -0.11 -1.73 -0.03 0.00 0.21 0.00 0.00 52.86 51.20 1b79 s ASN 117 Cb -0.06 -2.34 0.39 0.00 -0.55 0.00 0.00 41.25 38.69 1b79 s ASN 117 CO -0.02 -1.08 1.90 0.16 -2.79 0.00 0.00 177.10 175.27 1b79 h ILE 118 N 5.74 1.13 -0.84 -5.21 -0.00 -1.98 -2.17 117.51 114.19 1b79 h ILE 118 Ca -0.09 -0.41 -0.01 0.00 -0.00 0.00 0.00 64.86 64.34 1b79 h ILE 118 Cb 1.06 -0.19 -0.04 0.00 -0.00 0.00 0.00 36.82 37.65 1b79 h ILE 118 CO 1.07 0.22 0.46 0.28 -0.00 0.00 0.00 178.15 180.18 1b79 h SER 119 N 1.21 1.04 0.05 2.16 0.02 -1.93 0.43 113.55 116.53 1b79 h SER 119 Ca 0.41 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1b79 h SER 119 Cb 0.09 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1b79 h SER 119 CO -0.15 0.83 -0.03 0.00 -1.14 0.00 0.00 176.83 176.35 1b79 h ALA 120 N 1.34 -0.07 -0.42 3.77 0.00 -1.85 -0.73 119.26 121.30 1b79 h ALA 120 Ca 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1b79 h ALA 120 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1b79 h ALA 120 CO -0.05 -0.44 0.10 1.88 0.00 0.00 0.00 179.25 180.75 1b79 h TYR 121 N -0.28 0.62 -0.54 0.00 0.05 -0.92 0.56 116.97 116.48 1b79 h TYR 121 Ca -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1b79 h TYR 121 Cb 0.25 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1b79 h TYR 121 CO -0.01 0.54 0.25 0.00 -1.05 0.00 0.00 178.16 177.89 1b79 h ALA 122 N 1.51 1.44 0.02 3.88 0.00 0.24 0.14 119.26 126.49 1b79 h ALA 122 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1b79 h ALA 122 Cb 0.23 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1b79 h ALA 122 CO -0.00 0.45 -1.00 -0.44 0.00 0.00 0.00 179.25 178.25 1b79 h ASP 123 N 0.75 0.59 -0.50 0.00 3.32 0.17 -2.29 116.42 118.48 1b79 h ASP 123 Ca 0.19 -0.49 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1b79 h ASP 123 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1b79 h ASP 123 CO -0.02 1.30 0.10 0.40 -1.72 0.00 0.00 179.24 179.30 1b79 h ILE 124 N 0.24 1.24 -0.39 0.35 2.04 -0.27 -2.63 117.51 118.09 1b79 h ILE 124 Ca -0.10 -0.89 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 1b79 h ILE 124 Cb 1.65 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1b79 h ILE 124 CO 0.18 0.33 -0.35 0.58 0.00 0.00 0.00 178.15 178.89 1b79 h VAL 125 N 0.83 1.27 0.00 1.67 2.07 -0.99 -3.00 116.25 118.10 1b79 h VAL 125 Ca 0.18 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1b79 h VAL 125 Cb 0.35 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1b79 h VAL 125 CO 0.00 0.51 -0.03 -0.09 0.02 0.00 0.00 177.57 177.98 1b79 h ARG 126 N 0.74 0.00 0.00 1.57 9.65 -1.06 -3.41 114.38 121.88 1b79 h ARG 126 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1b79 h ARG 126 Cb 0.93 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1b79 h ARG 126 CO 0.09 0.03 0.00 0.39 2.80 0.00 0.00 179.97 183.28 1b79 n GLU 127 N -4.12 3.74 0.00 0.20 -0.58 -1.03 -5.08 120.64 113.77 1b79 n GLU 127 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1b79 n GLU 127 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.99 1b79 n GLU 127 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19