#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gut s ALA 3 N 0.00 4.11 -0.37 4.61 0.00 -1.26 -4.85 121.76 123.99 2gut s ALA 3 Ca 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 51.96 48.73 2gut s ALA 3 Cb 0.00 -3.60 0.34 0.00 0.00 0.00 0.00 23.12 19.87 2gut s ALA 3 CO 0.00 -2.35 0.72 -1.33 0.00 0.00 0.00 175.76 172.79 2gut n MET 4 N 4.08 0.97 0.00 0.00 2.00 -1.26 -5.09 117.12 117.82 2gut n MET 4 Ca 0.17 -3.38 0.00 0.00 0.00 0.00 0.00 57.70 54.49 2gut n MET 4 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 0.36 3.72 3.02 3.03 0.00 -1.26 -5.15 105.19 108.91 2gut n GLY 5 Ca 0.25 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 2gut n GLY 5 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gut s GLN 6 N -1.77 0.44 0.35 1.61 -0.21 -1.26 -5.16 119.66 113.66 2gut s GLN 6 Ca 0.00 0.74 0.04 0.00 0.02 0.00 0.00 55.36 56.16 2gut s GLN 6 Cb 0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 33.01 33.91 2gut s GLN 6 CO 0.00 -0.63 0.05 -1.21 -2.12 0.00 0.00 175.29 171.39 2gut s GLU 7 N 2.68 1.75 -0.34 2.91 8.01 -1.26 -5.05 118.70 127.40 2gut s GLU 7 Ca 0.16 -1.99 0.09 0.00 0.01 0.00 0.00 54.97 53.23 2gut s GLU 7 Cb -0.15 -1.00 0.65 0.00 -4.31 0.00 0.00 34.13 29.32 2gut s GLU 7 CO -0.18 -0.20 1.73 2.41 0.01 0.00 0.00 175.26 179.03 2gut n THR 8 N -0.78 2.87 -3.16 3.63 -1.04 -1.26 -4.63 114.28 109.91 2gut n THR 8 Ca -0.04 -2.00 -0.24 0.00 -2.04 0.00 0.00 64.05 59.73 2gut n THR 8 Cb 0.67 -0.37 -0.05 0.00 -1.82 0.00 0.00 70.33 68.75 2gut n THR 8 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2gut n ASP 9 N -0.70 2.70 0.33 8.00 9.92 -1.26 -4.89 116.55 130.65 2gut n ASP 9 Ca 0.43 -3.30 0.21 0.00 -0.53 0.00 0.00 54.79 51.60 2gut n ASP 9 Cb 1.35 -0.62 1.14 0.00 -0.64 0.00 0.00 41.12 42.35 2gut n ASP 9 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2gut h TRP 10 N 3.46 0.00 0.00 1.24 5.08 -2.00 0.76 115.95 124.49 2gut h TRP 10 Ca 0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.10 2gut h TRP 10 Cb 0.72 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.88 2gut h TRP 10 CO 0.64 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.34 2gut n ARG 11 N -3.21 0.04 -1.68 0.12 1.74 -1.26 -4.10 116.66 108.30 2gut n ARG 11 Ca -0.03 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.89 2gut n ARG 11 Cb 0.10 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.63 2.45 -0.14 0.55 2.88 0.26 -4.80 113.62 113.18 2gut n SER 12 Ca 0.03 1.19 -0.04 0.00 -1.33 0.00 0.00 58.87 58.73 2gut n SER 12 Cb 0.19 -1.45 0.05 0.00 -0.75 0.00 0.00 64.21 62.25 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 2.40 0.73 -0.99 2.46 2.02 -1.89 -1.09 112.91 116.55 2gut h THR 13 Ca -0.45 -0.07 0.14 0.00 0.77 0.00 0.00 66.41 66.80 2gut h THR 13 Cb 1.30 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 2gut h THR 13 CO 0.62 0.04 0.62 0.00 0.37 0.00 0.00 175.52 177.17 2gut h ALA 14 N 1.35 1.60 0.16 6.16 0.00 -1.95 0.50 119.26 127.09 2gut h ALA 14 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2gut h ALA 14 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2gut h ALA 14 CO -0.31 0.12 -0.08 0.35 0.00 0.00 0.00 179.25 179.34 2gut h PHE 15 N 0.90 -0.20 -0.97 0.00 3.04 -1.48 -1.25 116.94 116.99 2gut h PHE 15 Ca 0.51 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.58 2gut h PHE 15 Cb 0.62 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 39.12 2gut h PHE 15 CO -0.00 -0.13 0.61 -0.09 -2.02 0.00 0.00 178.31 176.69 2gut h ARG 16 N -0.24 0.90 0.53 1.11 2.43 -1.30 -1.84 114.38 115.96 2gut h ARG 16 Ca -0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2gut h ARG 16 Cb 0.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2gut h ARG 16 CO 0.04 0.59 -0.41 0.37 -1.51 0.00 0.00 179.97 179.05 2gut h GLN 17 N 0.92 -0.87 -0.55 0.20 -0.00 0.01 0.29 115.11 115.11 2gut h GLN 17 Ca 0.47 0.06 0.11 0.00 -0.00 0.00 0.00 58.65 59.29 2gut h GLN 17 Cb 0.52 0.20 -0.09 0.00 0.00 0.00 0.00 27.48 28.11 2gut h GLN 17 CO -0.24 -0.58 0.03 0.87 0.00 0.00 0.00 178.83 178.91 2gut h LYS 18 N -0.91 0.14 -0.78 1.69 1.57 -0.92 -0.62 116.57 116.75 2gut h LYS 18 Ca -0.07 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2gut h LYS 18 Cb 0.75 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2gut h LYS 18 CO 0.02 0.09 0.50 -0.07 -0.57 0.00 0.00 179.45 179.43 2gut h LEU 19 N 0.15 0.86 -0.77 2.94 -0.00 -1.14 -2.29 115.31 115.05 2gut h LEU 19 Ca 0.28 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.21 2gut h LEU 19 Cb 0.43 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.83 2gut h LEU 19 CO -0.44 0.61 0.45 0.58 -0.00 0.00 0.00 178.44 179.64 2gut h VAL 20 N 1.01 0.99 -0.63 1.22 2.07 0.11 -1.96 116.25 119.06 2gut h VAL 20 Ca 0.30 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2gut h VAL 20 Cb -0.06 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2gut h VAL 20 CO -0.08 0.15 0.30 0.28 0.02 0.00 0.00 177.57 178.23 2gut h SER 21 N 0.82 0.83 -0.01 0.57 0.02 -0.81 -1.95 113.55 113.01 2gut h SER 21 Ca 0.34 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2gut h SER 21 Cb 0.20 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2gut h SER 21 CO -0.19 0.73 -0.10 1.56 -1.14 0.00 0.00 176.83 177.70 2gut h GLN 22 N 0.87 -0.16 -0.55 3.45 1.08 -0.93 0.01 115.11 118.88 2gut h GLN 22 Ca 0.22 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.44 2gut h GLN 22 Cb 0.13 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2gut h GLN 22 CO -0.03 -0.10 0.37 0.82 -0.95 0.00 0.00 178.83 178.94 2gut h ILE 23 N -0.16 1.13 -0.02 2.54 2.04 -1.26 -1.17 117.51 120.61 2gut h ILE 23 Ca 0.04 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 2gut h ILE 23 Cb 0.21 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2gut h ILE 23 CO -0.11 0.13 -0.53 -0.08 0.00 0.00 0.00 178.15 177.56 2gut h GLU 24 N 0.73 0.04 0.08 2.37 4.22 -0.66 -2.31 114.58 119.06 2gut h GLU 24 Ca 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 2gut h GLU 24 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2gut h GLU 24 CO -0.05 0.57 -0.04 0.22 -2.18 0.00 0.00 179.01 177.53 2gut h ASP 25 N 0.03 -0.09 -0.69 1.04 1.82 0.14 -2.19 116.42 116.47 2gut h ASP 25 Ca -0.00 -0.49 0.04 0.00 -0.39 0.00 0.00 57.03 56.19 2gut h ASP 25 Cb 0.96 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.94 2gut h ASP 25 CO 0.07 0.49 0.42 0.00 -1.61 0.00 0.00 179.24 178.61 2gut h ALA 26 N 0.04 0.91 -0.40 -0.78 0.00 -1.34 -2.42 119.26 115.27 2gut h ALA 26 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gut h ALA 26 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2gut h ALA 26 CO 0.02 0.16 0.18 0.52 0.00 0.00 0.00 179.25 180.12 2gut h MET 27 N 0.80 0.58 -0.17 0.00 2.86 -1.49 0.27 114.93 117.79 2gut h MET 27 Ca 0.29 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2gut h MET 27 Cb 0.08 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 2gut h MET 27 CO -0.13 0.53 -0.27 -0.09 1.06 0.00 0.00 176.91 178.01 2gut h ARG 28 N 0.50 -0.30 0.00 1.72 2.43 -0.93 0.10 114.38 117.90 2gut h ARG 28 Ca 0.13 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2gut h ARG 28 Cb 0.15 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2gut h ARG 28 CO -0.01 -0.20 -0.23 -0.22 -1.51 0.00 0.00 179.97 177.79 2gut h LYS 29 N -0.32 0.00 0.00 0.20 3.64 -1.37 -2.93 116.57 115.80 2gut h LYS 29 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2gut h LYS 29 Cb 0.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2gut h LYS 29 CO -0.35 0.23 -0.30 0.00 -2.27 0.00 0.00 179.45 176.75 2gut h ALA 30 N 1.77 0.99 -5.01 5.00 0.00 0.11 -3.47 119.26 118.65 2gut h ALA 30 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2gut h ALA 30 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gut h ALA 30 CO 0.03 0.38 -0.30 0.41 0.00 0.00 0.00 179.25 179.77 2gut n GLY 31 N 0.25 -1.20 3.20 0.00 0.00 0.21 -4.52 105.19 103.13 2gut n GLY 31 Ca 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.59 0.17 -0.31 1.61 -7.23 -1.25 -5.05 120.40 105.75 2gut s VAL 32 Ca 0.15 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 2gut s VAL 32 Cb -0.04 -2.29 0.19 0.00 0.56 0.00 0.00 36.38 34.79 2gut s VAL 32 CO 0.67 -0.24 1.12 0.00 -0.31 0.00 0.00 175.10 176.34 2gut s ALA 33 N -4.02 -4.75 -0.40 1.32 0.00 -1.26 -5.01 121.76 107.65 2gut s ALA 33 Ca 0.31 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.74 2gut s ALA 33 Cb 0.07 -3.04 0.26 0.00 0.00 0.00 0.00 23.12 20.41 2gut s ALA 33 CO 0.07 -2.49 1.09 -2.39 0.00 0.00 0.00 175.76 172.05 2gut n HIS 34 N 3.78 -1.69 0.00 0.00 1.44 -1.26 -5.05 115.22 112.44 2gut n HIS 34 Ca 0.05 -1.12 0.00 0.00 -2.01 0.00 0.00 57.72 54.64 2gut n HIS 34 Cb 0.64 1.29 0.00 0.00 0.12 0.00 0.00 29.99 32.03 2gut n HIS 34 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2gut n SER 35 N 1.60 0.00 0.01 4.39 7.64 -1.26 -5.09 113.62 120.91 2gut n SER 35 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2gut n SER 35 Cb 0.67 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2gut n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2gut n LYS 36 N -1.14 0.00 -3.64 1.43 4.81 -1.26 -5.13 118.16 113.23 2gut n LYS 36 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2gut n LYS 36 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2gut n LYS 36 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2gut s SER 37 N -1.10 -0.00 0.15 3.14 0.15 -1.26 -4.99 113.70 109.78 2gut s SER 37 Ca 0.00 -0.00 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 2gut s SER 37 Cb 0.00 0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.34 2gut s SER 37 CO 0.00 -0.01 1.63 0.77 1.20 0.00 0.00 173.24 176.84 2gut h SER 38 N 2.00 -0.74 -0.83 5.45 4.64 -1.96 0.32 113.55 122.42 2gut h SER 38 Ca -0.03 0.13 0.16 0.00 -0.47 0.00 0.00 61.79 61.58 2gut h SER 38 Cb 1.13 0.35 -0.10 0.00 -0.31 0.00 0.00 62.40 63.47 2gut h SER 38 CO 0.19 -0.27 0.38 0.11 -0.87 0.00 0.00 176.83 176.37 2gut h LYS 39 N -0.24 0.50 -0.07 4.77 6.56 -1.96 0.17 116.57 126.30 2gut h LYS 39 Ca 0.13 -0.03 -0.14 0.00 -1.06 0.00 0.00 60.65 59.55 2gut h LYS 39 Cb 0.45 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2gut h LYS 39 CO -0.37 0.33 -0.60 -0.44 -2.06 0.00 0.00 179.45 176.31 2gut h ASP 40 N 0.52 0.26 0.36 0.86 3.32 -1.60 -1.87 116.42 118.26 2gut h ASP 40 Ca 0.47 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 2gut h ASP 40 Cb 0.73 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2gut h ASP 40 CO -0.41 0.79 -0.17 0.24 -1.72 0.00 0.00 179.24 177.97 2gut h MET 41 N 0.17 -0.47 -0.49 3.56 2.86 0.22 -2.35 114.93 118.43 2gut h MET 41 Ca -0.01 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2gut h MET 41 Cb 1.10 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2gut h MET 41 CO 0.09 -0.15 0.22 0.93 1.06 0.00 0.00 176.91 179.06 2gut h GLU 42 N -0.85 0.70 -0.20 1.72 3.07 -0.87 -2.35 114.58 115.80 2gut h GLU 42 Ca -0.05 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2gut h GLU 42 Cb 0.53 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2gut h GLU 42 CO 0.08 0.56 0.13 0.77 -1.40 0.00 0.00 179.01 179.15 2gut h SER 43 N 0.70 0.23 -0.72 1.42 0.02 -1.32 -1.90 113.55 111.97 2gut h SER 43 Ca 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2gut h SER 43 Cb 0.11 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2gut h SER 43 CO -0.02 0.18 0.36 -0.74 -1.14 0.00 0.00 176.83 175.47 2gut h HIS 44 N 0.26 1.03 -0.74 3.45 -0.00 -1.11 -2.39 115.15 115.66 2gut h HIS 44 Ca 0.07 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2gut h HIS 44 Cb -0.02 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.03 2gut h HIS 44 CO -0.06 0.75 0.49 0.28 -0.00 0.00 0.00 177.93 179.39 2gut h VAL 45 N 1.01 1.12 0.52 5.26 2.07 -1.11 -0.24 116.25 124.88 2gut h VAL 45 Ca 0.25 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2gut h VAL 45 Cb 0.10 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2gut h VAL 45 CO -0.03 0.17 -0.25 0.15 0.02 0.00 0.00 177.57 177.62 2gut h PHE 46 N 0.91 -0.65 0.00 1.57 3.57 -0.87 0.27 116.94 121.74 2gut h PHE 46 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2gut h PHE 46 Cb 0.03 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2gut h PHE 46 CO -0.00 -0.32 0.00 -0.07 -2.23 0.00 0.00 178.31 175.69 2gut h LEU 47 N -1.01 0.00 0.04 0.59 3.38 -1.29 -1.42 115.31 115.59 2gut h LEU 47 Ca -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 2gut h LEU 47 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2gut h LEU 47 CO 0.12 0.00 -1.77 0.50 0.09 0.00 0.00 178.44 177.38 2gut h LYS 48 N 0.00 0.08 -7.11 1.13 3.64 -0.83 -3.47 116.57 110.02 2gut h LYS 48 Ca 0.00 -0.14 -0.48 0.00 -1.27 0.00 0.00 60.65 58.76 2gut h LYS 48 Cb 0.06 0.05 0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2gut h LYS 48 CO 0.00 0.72 0.39 0.00 -2.27 0.00 0.00 179.45 178.29 2gut s ALA 49 N -2.59 2.80 -0.08 5.00 0.00 0.93 -4.98 121.76 122.85 2gut s ALA 49 Ca -0.09 0.59 0.14 0.00 0.00 0.00 0.00 51.96 52.59 2gut s ALA 49 Cb 0.08 -3.26 -0.21 0.00 0.00 0.00 0.00 23.12 19.72 2gut s ALA 49 CO 0.81 -0.52 0.20 1.63 0.00 0.00 0.00 175.76 177.88 2gut n LYS 50 N -1.31 1.04 -4.04 0.00 5.02 -1.26 -4.93 118.16 112.68 2gut n LYS 50 Ca 0.10 -0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 2gut n LYS 50 Cb 0.52 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.73 0.04 0.56 -0.18 -4.23 -1.26 -5.01 115.64 102.83 2gut s THR 51 Ca -0.06 -1.59 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 2gut s THR 51 Cb 0.07 -2.08 0.40 0.00 1.34 0.00 0.00 72.50 72.24 2gut s THR 51 CO 0.61 -0.20 1.95 0.08 -0.54 0.00 0.00 174.62 176.53 2gut h ARG 52 N 2.54 0.00 -0.02 3.99 0.11 -1.97 -1.05 114.38 117.99 2gut h ARG 52 Ca -0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 2gut h ARG 52 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2gut h ARG 52 CO 0.48 0.00 -0.07 0.22 0.10 0.00 0.00 179.97 180.70 2gut h ASP 53 N 0.00 0.09 -0.21 0.08 3.58 -1.98 -2.06 116.42 115.93 2gut h ASP 53 Ca 0.25 -0.66 0.06 0.00 0.42 0.00 0.00 57.03 57.10 2gut h ASP 53 Cb 1.14 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.10 2gut h ASP 53 CO -0.00 0.73 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.83 2gut h GLU 54 N -0.55 -0.19 0.86 0.28 4.81 -1.60 0.25 114.58 118.44 2gut h GLU 54 Ca -0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2gut h GLU 54 Cb 0.73 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.16 2gut h GLU 54 CO 0.02 -0.13 -0.41 -0.92 -0.73 0.00 0.00 179.01 176.84 2gut h TYR 55 N -0.20 -1.07 -0.90 0.92 3.20 -1.54 -0.23 116.97 117.16 2gut h TYR 55 Ca 0.13 -0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.23 2gut h TYR 55 Cb 0.38 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2gut h TYR 55 CO -0.33 -0.66 0.64 -0.07 -1.64 0.00 0.00 178.16 176.10 2gut h LEU 56 N -1.24 0.01 0.16 2.82 3.38 -1.21 0.30 115.31 119.52 2gut h LEU 56 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2gut h LEU 56 Cb 0.89 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2gut h LEU 56 CO 0.19 0.00 -0.08 -1.28 0.09 0.00 0.00 178.44 177.37 2gut h SER 57 N 0.01 -0.18 -0.74 -0.43 0.87 -0.14 -2.40 113.55 110.54 2gut h SER 57 Ca 0.43 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2gut h SER 57 Cb 1.70 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.67 2gut h SER 57 CO -0.01 0.39 0.49 -0.07 -0.53 0.00 0.00 176.83 177.11 2gut h LEU 58 N -0.94 0.85 0.57 2.23 3.38 -0.07 -2.26 115.31 119.06 2gut h LEU 58 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2gut h LEU 58 Cb 0.48 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2gut h LEU 58 CO 0.04 0.61 -0.27 0.58 0.09 0.00 0.00 178.44 179.48 2gut h VAL 59 N 1.00 0.36 -0.25 1.22 2.07 -0.53 -2.25 116.25 117.87 2gut h VAL 59 Ca 0.27 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2gut h VAL 59 Cb -0.11 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2gut h VAL 59 CO -0.06 0.04 -0.36 0.00 0.02 0.00 0.00 177.57 177.21 2gut h ALA 60 N -0.64 -0.37 -0.73 1.67 0.00 -1.27 -0.60 119.26 117.33 2gut h ALA 60 Ca -0.08 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2gut h ALA 60 Cb 0.64 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 2gut h ALA 60 CO 0.13 -0.81 0.24 0.00 0.00 0.00 0.00 179.25 178.81 2gut h ARG 61 N -0.36 0.35 0.29 0.00 3.08 -1.44 0.19 114.38 116.49 2gut h ARG 61 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2gut h ARG 61 Cb 0.57 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2gut h ARG 61 CO -0.45 0.23 -0.18 1.25 -1.07 0.00 0.00 179.97 179.75 2gut h LEU 62 N 0.36 -0.44 -0.11 3.04 6.46 -0.58 0.42 115.31 124.46 2gut h LEU 62 Ca 0.41 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.21 2gut h LEU 62 Cb 0.65 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2gut h LEU 62 CO -0.44 -0.29 0.01 0.40 -0.62 0.00 0.00 178.44 177.50 2gut h ILE 63 N -0.45 0.93 -0.46 4.05 2.04 -0.29 -1.95 117.51 121.38 2gut h ILE 63 Ca -0.03 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2gut h ILE 63 Cb 0.37 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2gut h ILE 63 CO 0.03 0.01 0.18 0.40 0.00 0.00 0.00 178.15 178.77 2gut h ILE 64 N 0.05 0.87 -0.58 -0.67 2.04 -0.53 -1.01 117.51 117.68 2gut h ILE 64 Ca 0.05 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2gut h ILE 64 Cb 0.05 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2gut h ILE 64 CO -0.08 0.07 0.39 -0.74 0.00 0.00 0.00 178.15 177.78 2gut h HIS 65 N 0.36 0.59 -0.19 1.37 2.76 -0.60 -1.76 115.15 117.67 2gut h HIS 65 Ca 0.22 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.35 2gut h HIS 65 Cb 0.20 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2gut h HIS 65 CO -0.15 0.32 -0.09 0.74 -1.30 0.00 0.00 177.93 177.46 2gut h PHE 66 N 0.59 0.46 -0.63 5.26 0.04 -0.44 -2.18 116.94 120.04 2gut h PHE 66 Ca 0.25 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.91 2gut h PHE 66 Cb 0.22 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2gut h PHE 66 CO -0.00 0.70 0.41 0.00 -0.60 0.00 0.00 178.31 178.82 2gut h ARG 67 N 0.08 0.83 -0.01 1.51 3.08 -0.70 -2.43 114.38 116.75 2gut h ARG 67 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2gut h ARG 67 Cb 0.58 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2gut h ARG 67 CO 0.03 0.55 -0.00 0.22 -1.07 0.00 0.00 179.97 179.70 2gut h ASP 68 N 0.85 0.02 -0.65 7.04 3.58 -1.25 -2.46 116.42 123.55 2gut h ASP 68 Ca 0.23 -0.39 0.12 0.00 0.42 0.00 0.00 57.03 57.41 2gut h ASP 68 Cb -0.09 -0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.86 2gut h ASP 68 CO -0.05 0.40 0.19 0.40 -2.88 0.00 0.00 179.24 177.30 2gut h ILE 69 N -0.37 0.65 0.83 2.25 2.04 -1.09 0.12 117.51 121.94 2gut h ILE 69 Ca 0.00 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2gut h ILE 69 Cb 0.39 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2gut h ILE 69 CO 0.00 0.06 -0.40 -0.74 0.00 0.00 0.00 178.15 177.07 2gut h HIS 70 N 0.32 -1.03 -0.67 1.37 2.76 -1.43 -2.64 115.15 113.84 2gut h HIS 70 Ca 0.35 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.66 2gut h HIS 70 Cb 0.52 0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 2gut h HIS 70 CO -0.22 -0.64 0.47 -0.91 -1.30 0.00 0.00 177.93 175.33 2gut h ASN 71 N -1.15 0.14 -4.93 3.26 4.21 -1.01 -3.47 115.58 112.63 2gut h ASN 71 Ca -0.11 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.40 2gut h ASN 71 Cb 0.86 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2gut h ASN 71 CO 0.19 0.07 -0.53 1.17 -1.29 0.00 0.00 177.43 177.04 2gut n LYS 72 N -4.40 -2.28 -0.18 0.81 4.81 0.38 -4.85 118.16 112.45 2gut n LYS 72 Ca 0.13 2.04 0.23 0.00 -0.87 0.00 0.00 58.31 59.83 2gut n LYS 72 Cb 0.64 -5.03 0.62 0.00 0.02 0.00 0.00 35.03 31.29 2gut n LYS 72 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2gut h LYS 73 N 1.93 0.18 -7.13 1.64 1.63 -1.86 -3.41 116.57 109.55 2gut h LYS 73 Ca 0.00 -0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.26 2gut h LYS 73 Cb 0.66 -0.04 0.12 0.00 -0.60 0.00 0.00 32.23 32.37 2gut h LYS 73 CO 0.15 0.12 0.44 -1.12 -3.45 0.00 0.00 179.45 175.59 2gut s SER 74 N -5.74 4.92 0.41 4.20 0.01 -1.26 -5.05 113.70 111.19 2gut s SER 74 Ca -0.06 2.34 0.03 0.00 1.31 0.00 0.00 55.95 59.57 2gut s SER 74 Cb 0.22 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2gut s SER 74 CO 0.77 -1.77 0.08 -1.10 0.41 0.00 0.00 173.24 171.62 2gut s GLN 75 N -3.57 1.93 0.43 12.44 -0.21 -1.26 -5.03 119.66 124.40 2gut s GLN 75 Ca 0.75 -2.17 0.16 0.00 0.02 0.00 0.00 55.36 54.13 2gut s GLN 75 Cb -0.29 -0.93 1.07 0.00 1.00 0.00 0.00 33.01 33.86 2gut s GLN 75 CO 0.37 -0.37 1.92 0.00 -2.12 0.00 0.00 175.29 175.09 2gut h ALA 76 N 1.75 2.15 -1.39 6.09 0.00 -1.98 -3.39 119.26 122.49 2gut h ALA 76 Ca -0.39 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.02 2gut h ALA 76 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2gut h ALA 76 CO 0.65 -0.36 1.62 0.43 0.00 0.00 0.00 179.25 181.59 2gut n SER 77 N -4.47 2.14 -0.16 0.00 7.64 -1.26 -5.35 113.62 112.16 2gut n SER 77 Ca 0.15 -0.25 0.02 0.00 1.01 0.00 0.00 58.87 59.80 2gut n SER 77 Cb 0.55 -1.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.31 2gut n SER 77 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58