#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gut n ALA 3 N 0.00 2.50 -4.01 4.61 0.00 -1.26 -5.15 120.51 117.20 2gut n ALA 3 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2gut n ALA 3 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2gut n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gut n MET 4 N -2.13 0.33 0.00 0.00 -0.00 -1.26 -5.16 117.12 108.89 2gut n MET 4 Ca 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 57.70 55.04 2gut n MET 4 Cb 0.00 2.18 0.00 0.00 -0.00 0.00 0.00 33.22 35.40 2gut n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gut n GLY 5 N -0.50 3.03 2.40 3.17 0.00 -1.26 -5.13 105.19 106.90 2gut n GLY 5 Ca 0.06 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 2gut n GLY 5 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gut n GLN 6 N -1.70 -4.07 -3.60 1.61 3.00 -1.26 -5.02 117.38 106.34 2gut n GLN 6 Ca 0.00 3.11 -0.29 0.00 -0.01 0.00 0.00 57.00 59.82 2gut n GLN 6 Cb 0.00 -4.48 -0.12 0.00 0.00 0.00 0.00 30.24 25.64 2gut n GLN 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2gut s GLU 7 N -0.73 1.13 0.00 -1.09 -1.05 -1.26 -4.92 118.70 110.78 2gut s GLU 7 Ca -0.22 -1.97 0.00 0.00 -0.15 0.00 0.00 54.97 52.62 2gut s GLU 7 Cb 0.01 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 2gut s GLU 7 CO 0.60 -1.23 0.00 0.25 0.95 0.00 0.00 175.26 175.83 2gut n THR 8 N 3.39 0.00 -2.64 1.83 -2.24 -1.26 -5.05 114.28 108.32 2gut n THR 8 Ca 0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 2gut n THR 8 Cb 0.38 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2gut n THR 8 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gut s ASP 9 N 0.07 6.66 -0.20 3.42 1.01 -1.26 -4.76 116.67 121.60 2gut s ASP 9 Ca 0.00 -1.93 0.11 0.00 0.71 0.00 0.00 52.55 51.44 2gut s ASP 9 Cb 0.00 -2.54 0.67 0.00 1.01 0.00 0.00 42.92 42.05 2gut s ASP 9 CO 0.00 -1.30 1.53 -2.67 0.21 0.00 0.00 175.17 172.93 2gut n TRP 10 N 8.24 1.73 -0.01 4.23 4.27 -1.26 -3.96 117.44 130.69 2gut n TRP 10 Ca 0.37 -0.63 0.03 0.00 -3.89 0.00 0.00 57.50 53.38 2gut n TRP 10 Cb 0.49 -0.45 -0.06 0.00 -1.36 0.00 0.00 31.31 29.92 2gut n TRP 10 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2gut n ARG 11 N 0.46 0.54 -1.58 -2.67 1.74 -1.26 -4.59 116.66 109.29 2gut n ARG 11 Ca 0.24 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 2gut n ARG 11 Cb 1.04 -1.19 0.01 0.00 -1.02 0.00 0.00 32.46 31.31 2gut n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2gut n SER 12 N -1.83 0.86 -0.14 0.55 2.88 -1.25 -4.73 113.62 109.96 2gut n SER 12 Ca -0.03 0.99 -0.04 0.00 -1.33 0.00 0.00 58.87 58.47 2gut n SER 12 Cb 0.27 -1.32 0.03 0.00 -0.75 0.00 0.00 64.21 62.44 2gut n SER 12 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2gut h THR 13 N 1.31 0.58 -0.26 2.46 2.02 -1.96 -1.83 112.91 115.23 2gut h THR 13 Ca -0.44 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 66.79 2gut h THR 13 Cb 1.35 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 2gut h THR 13 CO 0.55 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 176.32 2gut h ALA 14 N 1.43 0.09 0.03 6.16 0.00 -1.98 0.50 119.26 125.50 2gut h ALA 14 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2gut h ALA 14 Cb 0.33 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2gut h ALA 14 CO -0.44 -0.53 -0.08 0.35 0.00 0.00 0.00 179.25 178.55 2gut h PHE 15 N -0.09 -0.24 -0.50 0.00 3.04 -1.68 0.19 116.94 117.66 2gut h PHE 15 Ca 0.14 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.18 2gut h PHE 15 Cb 0.30 0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.83 2gut h PHE 15 CO -0.31 -0.10 0.10 -0.09 -2.02 0.00 0.00 178.31 175.89 2gut h ARG 16 N -0.13 0.23 0.05 1.11 2.43 -1.33 -1.78 114.38 114.97 2gut h ARG 16 Ca -0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2gut h ARG 16 Cb 0.12 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2gut h ARG 16 CO -0.04 0.15 -0.52 0.37 -1.51 0.00 0.00 179.97 178.42 2gut h GLN 17 N 0.23 -0.67 -0.48 0.20 -0.00 0.24 0.28 115.11 114.92 2gut h GLN 17 Ca 0.25 0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.04 2gut h GLN 17 Cb 0.34 0.15 -0.09 0.00 0.00 0.00 0.00 27.48 27.88 2gut h GLN 17 CO -0.33 -0.45 -0.09 0.87 0.00 0.00 0.00 178.83 178.84 2gut h LYS 18 N -0.69 0.03 -0.58 1.69 1.57 -0.27 -0.95 116.57 117.37 2gut h LYS 18 Ca 0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2gut h LYS 18 Cb 0.73 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2gut h LYS 18 CO -0.33 0.02 0.33 -0.07 -0.57 0.00 0.00 179.45 178.83 2gut h LEU 19 N 0.03 0.50 -0.57 2.94 -0.00 -0.69 -2.30 115.31 115.22 2gut h LEU 19 Ca 0.23 0.02 0.09 0.00 -0.00 0.00 0.00 57.88 58.22 2gut h LEU 19 Cb 0.36 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 2gut h LEU 19 CO -0.47 0.35 0.20 0.58 -0.00 0.00 0.00 178.44 179.10 2gut h VAL 20 N 0.63 0.77 -0.48 1.22 2.07 0.85 -1.79 116.25 119.53 2gut h VAL 20 Ca 0.25 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2gut h VAL 20 Cb 0.09 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2gut h VAL 20 CO -0.14 0.07 0.30 0.28 0.02 0.00 0.00 177.57 178.10 2gut h SER 21 N 0.38 0.50 -0.46 0.57 0.02 -0.82 -1.79 113.55 111.94 2gut h SER 21 Ca 0.29 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 2gut h SER 21 Cb 0.35 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 2gut h SER 21 CO -0.30 0.35 0.10 1.56 -1.14 0.00 0.00 176.83 177.41 2gut h GLN 22 N 0.60 0.23 -0.36 3.45 1.08 -0.87 0.16 115.11 119.40 2gut h GLN 22 Ca 0.19 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 2gut h GLN 22 Cb -0.02 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2gut h GLN 22 CO -0.07 0.15 0.06 0.82 -0.95 0.00 0.00 178.83 178.85 2gut h ILE 23 N 0.24 1.18 -0.02 2.54 2.04 -1.05 -1.33 117.51 121.11 2gut h ILE 23 Ca 0.22 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 2gut h ILE 23 Cb 0.28 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2gut h ILE 23 CO -0.28 0.23 -0.68 -0.08 0.00 0.00 0.00 178.15 177.34 2gut h GLU 24 N 0.53 0.09 -0.04 2.37 4.22 -0.32 -2.40 114.58 119.03 2gut h GLU 24 Ca 0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 2gut h GLU 24 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2gut h GLU 24 CO 0.00 0.73 -0.14 0.22 -2.18 0.00 0.00 179.01 177.64 2gut h ASP 25 N 0.06 0.19 -0.34 1.04 1.82 -0.13 -2.21 116.42 116.86 2gut h ASP 25 Ca -0.01 -0.63 -0.00 0.00 -0.39 0.00 0.00 57.03 56.00 2gut h ASP 25 Cb 1.20 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 2gut h ASP 25 CO 0.09 0.79 0.19 0.00 -1.61 0.00 0.00 179.24 178.71 2gut h ALA 26 N 0.41 0.43 -0.37 -0.78 0.00 -1.31 -2.53 119.26 115.12 2gut h ALA 26 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gut h ALA 26 Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2gut h ALA 26 CO 0.03 -0.06 0.23 0.52 0.00 0.00 0.00 179.25 179.97 2gut h MET 27 N 0.43 0.49 -0.05 0.00 2.86 -1.51 0.28 114.93 117.44 2gut h MET 27 Ca 0.12 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2gut h MET 27 Cb 0.04 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 2gut h MET 27 CO -0.02 0.35 -0.36 -0.09 1.06 0.00 0.00 176.91 177.85 2gut h ARG 28 N 0.49 -0.47 0.00 1.72 2.43 -1.20 0.64 114.38 117.99 2gut h ARG 28 Ca 0.13 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2gut h ARG 28 Cb -0.02 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2gut h ARG 28 CO -0.03 -0.31 0.00 0.87 -1.51 0.00 0.00 179.97 178.99 2gut h LYS 29 N -0.48 0.00 0.00 0.20 1.57 -1.34 -2.78 116.57 113.73 2gut h LYS 29 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2gut h LYS 29 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2gut h LYS 29 CO -0.32 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.05 2gut h ALA 30 N 2.08 0.80 -5.78 3.86 0.00 0.14 -3.47 119.26 116.90 2gut h ALA 30 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2gut h ALA 30 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2gut h ALA 30 CO 0.00 0.64 -0.82 0.41 0.00 0.00 0.00 179.25 179.48 2gut n GLY 31 N 0.70 -0.95 2.95 0.00 0.00 0.03 -4.40 105.19 103.52 2gut n GLY 31 Ca 0.00 1.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.91 2gut n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gut s VAL 32 N -2.05 0.88 -0.97 1.61 -7.23 -1.26 -4.98 120.40 106.40 2gut s VAL 32 Ca 0.27 -0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 60.13 2gut s VAL 32 Cb -0.05 -0.85 0.31 0.00 0.56 0.00 0.00 36.38 36.34 2gut s VAL 32 CO 0.77 0.31 1.43 0.00 -0.31 0.00 0.00 175.10 177.30 2gut n ALA 33 N 4.13 5.22 0.23 1.32 0.00 -1.26 -4.55 120.51 125.60 2gut n ALA 33 Ca -0.21 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.48 2gut n ALA 33 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2gut n ALA 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2gut n HIS 34 N 0.78 -4.49 -1.71 0.00 -0.00 -1.26 -5.12 115.22 103.42 2gut n HIS 34 Ca 0.32 1.50 -0.43 0.00 -0.00 0.00 0.00 57.72 59.11 2gut n HIS 34 Cb 0.33 3.61 -0.01 0.00 -0.00 0.00 0.00 29.99 33.92 2gut n HIS 34 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2gut n SER 35 N -3.49 2.96 0.02 0.26 7.64 -1.26 -4.93 113.62 114.82 2gut n SER 35 Ca 0.00 1.20 -0.02 0.00 1.01 0.00 0.00 58.87 61.06 2gut n SER 35 Cb 0.00 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 61.69 2gut n SER 35 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gut h LYS 36 N 2.95 -0.10 -1.03 1.43 3.64 -1.98 -3.48 116.57 118.00 2gut h LYS 36 Ca -0.47 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.26 2gut h LYS 36 Cb 1.27 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.91 2gut h LYS 36 CO 0.65 -0.07 0.99 0.45 -2.27 0.00 0.00 179.45 179.21 2gut s SER 37 N -2.61 -0.01 0.22 4.20 0.15 -1.26 -4.99 113.70 109.41 2gut s SER 37 Ca -0.02 -0.00 -0.08 0.00 0.70 0.00 0.00 55.95 56.55 2gut s SER 37 Cb 0.01 0.01 0.35 0.00 -1.71 0.00 0.00 66.02 64.67 2gut s SER 37 CO 0.07 -0.01 1.71 -1.28 1.20 0.00 0.00 173.24 174.93 2gut h SER 38 N 2.00 0.08 -0.70 5.45 0.87 -1.92 0.30 113.55 119.64 2gut h SER 38 Ca -0.04 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2gut h SER 38 Cb 1.13 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.17 2gut h SER 38 CO 0.19 0.04 0.40 0.11 -0.53 0.00 0.00 176.83 177.03 2gut h LYS 39 N 0.31 0.70 -0.14 2.24 1.57 -1.96 0.23 116.57 119.54 2gut h LYS 39 Ca 0.35 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 2gut h LYS 39 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2gut h LYS 39 CO -0.41 0.47 -0.58 -0.44 -0.57 0.00 0.00 179.45 177.92 2gut h ASP 40 N 0.73 0.49 -0.24 0.86 3.32 -1.50 -2.45 116.42 117.63 2gut h ASP 40 Ca 0.31 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2gut h ASP 40 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2gut h ASP 40 CO -0.19 0.96 -0.09 0.24 -1.72 0.00 0.00 179.24 178.44 2gut h MET 41 N 0.33 0.48 0.49 3.56 2.86 0.39 -2.27 114.93 120.77 2gut h MET 41 Ca 0.00 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2gut h MET 41 Cb 1.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2gut h MET 41 CO 0.10 0.73 -0.23 1.49 1.06 0.00 0.00 176.91 180.06 2gut h GLU 42 N 0.20 -0.63 -0.67 1.72 4.22 -0.58 -1.92 114.58 116.93 2gut h GLU 42 Ca 0.06 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.67 2gut h GLU 42 Cb 0.58 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 2gut h GLU 42 CO 0.03 -0.37 0.18 1.03 -2.18 0.00 0.00 179.01 177.70 2gut h SER 43 N -0.75 0.08 -0.13 1.04 0.87 -1.50 0.17 113.55 113.33 2gut h SER 43 Ca -0.07 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2gut h SER 43 Cb 0.55 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2gut h SER 43 CO 0.11 0.03 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.68 2gut h HIS 44 N 0.31 -0.05 -0.30 2.24 -0.00 -1.29 -1.91 115.15 114.16 2gut h HIS 44 Ca 0.36 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.73 2gut h HIS 44 Cb 0.55 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 2gut h HIS 44 CO -0.23 -0.04 0.16 0.28 -0.00 0.00 0.00 177.93 178.10 2gut h VAL 45 N 0.01 1.14 -1.00 5.26 2.07 -0.45 0.87 116.25 124.15 2gut h VAL 45 Ca 0.06 -0.37 0.16 0.00 0.82 0.00 0.00 66.70 67.38 2gut h VAL 45 Cb 0.09 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 2gut h VAL 45 CO -0.12 0.14 0.62 0.15 0.02 0.00 0.00 177.57 178.37 2gut h PHE 46 N 0.36 1.06 0.00 1.57 3.04 -0.45 0.38 116.94 122.91 2gut h PHE 46 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2gut h PHE 46 Cb 0.08 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.26 2gut h PHE 46 CO -0.03 0.31 -0.40 -0.07 -2.02 0.00 0.00 178.31 176.10 2gut h LEU 47 N 0.83 0.00 0.00 0.59 3.38 -0.97 -3.23 115.31 115.90 2gut h LEU 47 Ca 0.54 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2gut h LEU 47 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2gut h LEU 47 CO -0.32 0.05 -0.65 1.17 0.09 0.00 0.00 178.44 178.78 2gut n LYS 48 N -2.31 0.14 -3.99 1.13 0.00 0.88 -4.89 118.16 109.12 2gut n LYS 48 Ca 0.04 0.03 -0.28 0.00 0.00 0.00 0.00 58.31 58.10 2gut n LYS 48 Cb 0.46 -1.57 -0.04 0.00 0.00 0.00 0.00 35.03 33.87 2gut n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gut s ALA 49 N -3.09 3.83 -0.10 3.14 0.00 0.97 -4.99 121.76 121.53 2gut s ALA 49 Ca 0.08 -1.04 0.17 0.00 0.00 0.00 0.00 51.96 51.17 2gut s ALA 49 Cb 0.16 -1.65 -0.24 0.00 0.00 0.00 0.00 23.12 21.39 2gut s ALA 49 CO 0.73 0.61 0.21 1.63 0.00 0.00 0.00 175.76 178.95 2gut n LYS 50 N -0.21 0.93 -4.17 0.00 5.02 -1.26 -4.93 118.16 113.53 2gut n LYS 50 Ca -0.07 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 2gut n LYS 50 Cb 0.53 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 2gut n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gut s THR 51 N -2.80 0.00 0.60 -0.18 -4.23 -1.26 -5.02 115.64 102.75 2gut s THR 51 Ca -0.08 -1.92 0.29 0.00 -1.18 0.00 0.00 61.69 58.81 2gut s THR 51 Cb 0.08 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.83 2gut s THR 51 CO 0.72 -0.01 2.08 0.08 -0.54 0.00 0.00 174.62 176.95 2gut h ARG 52 N 2.58 0.00 0.08 3.99 0.11 -1.95 -2.05 114.38 117.14 2gut h ARG 52 Ca -0.35 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.73 2gut h ARG 52 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2gut h ARG 52 CO 0.51 0.00 -0.04 0.22 0.10 0.00 0.00 179.97 180.76 2gut h ASP 53 N 0.00 -0.09 -1.00 0.08 3.58 -1.98 -1.64 116.42 115.37 2gut h ASP 53 Ca 0.09 -0.50 0.17 0.00 0.42 0.00 0.00 57.03 57.21 2gut h ASP 53 Cb 0.56 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.54 2gut h ASP 53 CO -0.00 0.57 0.61 -0.08 -2.88 0.00 0.00 179.24 177.45 2gut h GLU 54 N -0.87 0.79 0.38 0.28 4.81 -1.79 0.96 114.58 119.14 2gut h GLU 54 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2gut h GLU 54 Cb 0.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2gut h GLU 54 CO 0.02 0.52 -0.18 -0.92 -0.73 0.00 0.00 179.01 177.72 2gut h TYR 55 N 0.82 -0.47 -1.13 0.92 3.20 -1.51 -2.03 116.97 116.76 2gut h TYR 55 Ca 0.55 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.73 2gut h TYR 55 Cb 0.78 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 2gut h TYR 55 CO -0.01 -0.29 0.77 -0.07 -1.64 0.00 0.00 178.16 176.92 2gut h LEU 56 N -1.09 0.22 0.29 2.82 3.38 -1.03 0.30 115.31 120.20 2gut h LEU 56 Ca -0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2gut h LEU 56 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gut h LEU 56 CO 0.08 0.03 -0.14 0.28 0.09 0.00 0.00 178.44 178.78 2gut h SER 57 N 0.18 -0.33 -0.70 -0.43 0.02 -0.84 -2.47 113.55 108.98 2gut h SER 57 Ca 0.59 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.50 2gut h SER 57 Cb 1.94 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.53 2gut h SER 57 CO -0.16 0.15 0.46 -0.07 -1.14 0.00 0.00 176.83 176.07 2gut h LEU 58 N -1.02 0.56 0.61 5.07 3.38 -0.49 -1.92 115.31 121.49 2gut h LEU 58 Ca -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2gut h LEU 58 Cb 0.44 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2gut h LEU 58 CO 0.07 0.34 -0.29 0.58 0.09 0.00 0.00 178.44 179.23 2gut h VAL 59 N 0.62 0.30 -0.06 1.22 2.07 -0.50 -1.98 116.25 117.91 2gut h VAL 59 Ca 0.32 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2gut h VAL 59 Cb 0.42 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2gut h VAL 59 CO -0.11 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.15 2gut h ALA 60 N -0.76 -0.51 -0.93 1.67 0.00 -1.11 0.41 119.26 118.04 2gut h ALA 60 Ca -0.08 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.00 2gut h ALA 60 Cb 0.68 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 2gut h ALA 60 CO 0.14 -0.87 0.51 0.00 0.00 0.00 0.00 179.25 179.03 2gut h ARG 61 N -0.48 0.62 0.37 0.00 3.08 -1.41 0.27 114.38 116.83 2gut h ARG 61 Ca 0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2gut h ARG 61 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2gut h ARG 61 CO -0.33 0.41 -0.18 1.25 -1.07 0.00 0.00 179.97 180.05 2gut h LEU 62 N 0.64 -0.42 0.12 3.04 7.12 -0.44 -1.83 115.31 123.54 2gut h LEU 62 Ca 0.54 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.45 2gut h LEU 62 Cb 0.87 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 2gut h LEU 62 CO -0.41 -0.12 -0.17 0.40 -0.13 0.00 0.00 178.44 178.01 2gut h ILE 63 N -0.73 0.61 -0.81 4.05 2.04 -0.18 -2.32 117.51 120.18 2gut h ILE 63 Ca -0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.96 2gut h ILE 63 Cb 0.50 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 2gut h ILE 63 CO 0.08 0.00 0.36 0.40 0.00 0.00 0.00 178.15 178.99 2gut h ILE 64 N -0.34 0.66 -0.99 -0.67 2.04 -0.53 0.37 117.51 118.05 2gut h ILE 64 Ca 0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2gut h ILE 64 Cb 0.35 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 2gut h ILE 64 CO -0.08 0.09 0.65 -0.74 0.00 0.00 0.00 178.15 178.07 2gut h HIS 65 N 0.51 1.22 -0.55 1.37 2.76 -0.86 -1.81 115.15 117.79 2gut h HIS 65 Ca 0.45 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 2gut h HIS 65 Cb 0.69 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2gut h HIS 65 CO -0.13 0.70 0.31 0.74 -1.30 0.00 0.00 177.93 178.24 2gut h PHE 66 N 1.26 0.75 -0.52 5.26 0.04 -0.42 0.03 116.94 123.34 2gut h PHE 66 Ca 0.39 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 2gut h PHE 66 Cb -0.00 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2gut h PHE 66 CO -0.00 0.54 0.14 0.00 -0.60 0.00 0.00 178.31 178.39 2gut h ARG 67 N 0.73 0.79 -0.05 1.51 3.08 -0.86 -2.52 114.38 117.06 2gut h ARG 67 Ca 0.19 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2gut h ARG 67 Cb 0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2gut h ARG 67 CO -0.03 0.70 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.05 2gut h ASP 68 N 0.76 0.15 -0.59 7.04 5.19 -0.90 -0.15 116.42 127.93 2gut h ASP 68 Ca 0.17 -0.52 0.11 0.00 -0.62 0.00 0.00 57.03 56.17 2gut h ASP 68 Cb 0.25 -0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.63 2gut h ASP 68 CO -0.01 0.65 0.09 0.40 -3.12 0.00 0.00 179.24 177.25 2gut h ILE 69 N -0.34 0.61 0.00 0.35 2.04 -0.86 0.22 117.51 119.53 2gut h ILE 69 Ca 0.01 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2gut h ILE 69 Cb 0.61 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2gut h ILE 69 CO 0.02 0.04 -0.50 -0.74 0.00 0.00 0.00 178.15 176.97 2gut h HIS 70 N 0.21 0.00 0.00 1.37 2.76 -1.49 -3.09 115.15 114.91 2gut h HIS 70 Ca 0.31 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 2gut h HIS 70 Cb 0.47 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2gut h HIS 70 CO -0.28 0.50 -0.39 -0.97 -1.30 0.00 0.00 177.93 175.49 2gut h ASN 71 N 0.00 0.00 -2.33 3.26 -1.24 0.98 -3.49 115.58 112.76 2gut h ASN 71 Ca -0.00 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.16 2gut h ASN 71 Cb 1.19 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.20 2gut h ASN 71 CO 0.06 0.39 -0.20 0.29 -1.29 0.00 0.00 177.43 176.68 2gut n LYS 72 N -3.49 -1.13 -1.64 6.67 5.02 0.58 -4.70 118.16 119.46 2gut n LYS 72 Ca 0.00 0.75 -0.49 0.00 -2.02 0.00 0.00 58.31 56.55 2gut n LYS 72 Cb 0.54 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 2gut n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gut n LYS 73 N -2.64 1.72 -3.95 1.97 3.00 -1.26 -4.91 118.16 112.09 2gut n LYS 73 Ca 0.00 0.62 0.04 0.00 -0.00 0.00 0.00 58.31 58.98 2gut n LYS 73 Cb 0.26 -2.34 0.01 0.00 0.00 0.00 0.00 35.03 32.96 2gut n LYS 73 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2gut s SER 74 N 0.76 -0.00 0.05 3.14 1.04 -1.26 -5.13 113.70 112.29 2gut s SER 74 Ca 0.81 -0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.88 2gut s SER 74 Cb -0.80 0.04 -0.06 0.00 0.10 0.00 0.00 66.02 65.31 2gut s SER 74 CO 0.42 -0.08 1.25 -1.58 0.98 0.00 0.00 173.24 174.23 2gut s GLN 75 N -2.02 4.39 -0.30 4.02 2.00 -1.26 -5.00 119.66 121.49 2gut s GLN 75 Ca 0.29 1.83 -0.16 0.00 -2.00 0.00 0.00 55.36 55.32 2gut s GLN 75 Cb 0.01 -3.38 0.17 0.00 0.80 0.00 0.00 33.01 30.61 2gut s GLN 75 CO -0.03 -0.34 1.08 0.00 -0.50 0.00 0.00 175.29 175.50 2gut s ALA 76 N 1.35 -2.59 0.00 1.58 0.00 -1.26 -5.10 121.76 115.74 2gut s ALA 76 Ca 0.60 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.63 2gut s ALA 76 Cb -0.30 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2gut s ALA 76 CO 0.28 -0.56 0.40 -1.13 0.00 0.00 0.00 175.76 174.75 2gut n SER 77 N 3.97 0.00 -0.32 0.00 3.41 -1.26 -5.28 113.62 114.14 2gut n SER 77 Ca -0.15 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 2gut n SER 77 Cb 0.56 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2gut n SER 77 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43