#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj h ARG 2 N 0.00 0.00 -0.19 0.03 -0.00 -2.06 1.63 114.38 113.80 2hgj h ARG 2 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.98 59.53 2hgj h ARG 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.90 2hgj h ARG 2 CO 0.00 0.00 -0.33 -0.22 0.00 0.00 0.00 179.97 179.42 2hgj h LYS 3 N 0.00 -0.36 -0.84 0.04 3.11 -2.06 0.87 116.57 117.34 2hgj h LYS 3 Ca 0.65 0.02 0.15 0.00 -2.81 0.00 0.00 60.65 58.67 2hgj h LYS 3 Cb 2.62 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 33.84 2hgj h LYS 3 CO -0.01 -0.24 0.41 1.96 -2.81 0.00 0.00 179.45 178.76 2hgj h GLN 4 N -0.37 0.55 -0.75 1.90 7.50 0.19 0.76 115.11 124.89 2hgj h GLN 4 Ca 0.11 -0.03 0.16 0.00 0.50 0.00 0.00 58.65 59.38 2hgj h GLN 4 Cb 0.55 -0.12 -0.11 0.00 0.05 0.00 0.00 27.48 27.85 2hgj h GLN 4 CO -0.39 0.36 0.23 1.25 -1.50 0.00 0.00 178.83 178.78 2hgj h LEU 5 N 0.57 0.11 0.38 1.46 5.85 0.20 -0.01 115.31 123.86 2hgj h LEU 5 Ca 0.47 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.30 2hgj h LEU 5 Cb 0.70 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2hgj h LEU 5 CO -0.39 0.01 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.19 2hgj h GLU 6 N 0.33 -0.51 -0.70 1.25 4.39 0.23 -0.17 114.58 119.40 2hgj h GLU 6 Ca 0.42 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.33 2hgj h GLU 6 Cb 0.71 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 2hgj h GLU 6 CO -0.48 -0.34 0.49 0.93 -1.16 0.00 0.00 179.01 178.45 2hgj h GLU 7 N -0.53 0.15 0.00 2.33 3.07 -1.14 -0.53 114.58 117.94 2hgj h GLU 7 Ca -0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2hgj h GLU 7 Cb 0.41 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2hgj h GLU 7 CO 0.07 0.10 0.00 0.00 -1.40 0.00 0.00 179.01 177.79 2hgj n ALA 8 N -2.61 0.00 -0.11 3.43 0.00 -0.03 -1.20 120.51 119.98 2hgj n ALA 8 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 2hgj n ALA 8 Cb 0.66 0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.21 2hgj n ALA 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgj n ARG 9 N -0.55 -0.08 -0.10 0.00 5.12 -0.10 -1.50 116.66 119.46 2hgj n ARG 9 Ca 0.00 0.44 -0.04 0.00 -1.93 0.00 0.00 57.85 56.32 2hgj n ARG 9 Cb 0.00 -0.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 2hgj n ARG 9 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2hgj h LYS 10 N 0.00 -0.05 -7.18 5.56 1.79 0.14 -3.43 116.57 113.40 2hgj h LYS 10 Ca 0.09 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.16 2hgj h LYS 10 Cb 0.16 0.01 0.21 0.00 -1.58 0.00 0.00 32.23 31.03 2hgj h LYS 10 CO -0.28 -0.03 -0.01 -0.51 -1.08 0.00 0.00 179.45 177.54 2hgj s LEU 11 N -7.30 -0.21 0.00 2.94 1.02 -0.34 -5.07 118.68 109.71 2hgj s LEU 11 Ca -0.04 0.86 0.00 0.00 0.02 0.00 0.00 54.13 54.97 2hgj s LEU 11 Cb 0.03 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.78 2hgj s LEU 11 CO 0.20 -4.77 0.00 -1.20 0.02 0.00 0.00 176.35 170.61 2hgj n SER 12 N -5.23 0.00 0.00 2.29 7.64 -1.26 -4.86 113.62 112.20 2hgj n SER 12 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2hgj n SER 12 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2hgj n SER 12 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2hgj n PRO 13 N 0.00 0.00 -0.19 1.43 -0.04 -1.26 -2.24 135.00 132.70 2hgj n PRO 13 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2hgj n PRO 13 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2hgj n PRO 13 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2hgj n VAL 14 N 0.00 -0.23 0.00 0.52 3.14 -1.26 -1.03 118.33 119.47 2hgj n VAL 14 Ca 0.00 1.17 0.00 0.00 -2.96 0.00 0.00 64.34 62.55 2hgj n VAL 14 Cb 0.00 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.17 2hgj n VAL 14 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2hgj n GLU 15 N -4.81 0.00 -0.18 1.45 4.71 -1.26 -0.98 120.64 119.57 2hgj n GLU 15 Ca 0.07 0.08 0.03 0.00 -0.01 0.00 0.00 57.16 57.33 2hgj n GLU 15 Cb 0.24 -0.73 0.07 0.00 -1.01 0.00 0.00 31.44 30.02 2hgj n GLU 15 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2hgj n LEU 16 N -0.30 -0.17 0.00 -4.62 7.94 -0.78 -0.81 117.00 118.25 2hgj n LEU 16 Ca 0.00 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 2hgj n LEU 16 Cb 0.00 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2hgj n LEU 16 CO 0.00 -0.83 0.30 -0.62 -1.11 0.00 0.00 177.39 175.13 2hgj n GLU 17 N -4.81 0.00 -0.10 1.96 1.02 -0.20 -0.82 120.64 117.69 2hgj n GLU 17 Ca 0.08 0.41 0.10 0.00 -0.02 0.00 0.00 57.16 57.73 2hgj n GLU 17 Cb 0.26 -1.10 0.46 0.00 -0.02 0.00 0.00 31.44 31.04 2hgj n GLU 17 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2hgj h LYS 18 N 0.00 0.49 0.99 3.49 2.10 0.81 -1.09 116.57 123.36 2hgj h LYS 18 Ca 0.00 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 2hgj h LYS 18 Cb 0.00 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2hgj h LYS 18 CO 0.00 0.32 -0.48 1.25 -2.00 0.00 0.00 179.45 178.55 2hgj h LEU 19 N 0.50 -1.13 -0.98 7.07 7.12 -0.76 -0.15 115.31 126.98 2hgj h LEU 19 Ca 0.27 0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.38 2hgj h LEU 19 Cb 0.42 0.29 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 2hgj h LEU 19 CO -0.08 -0.81 0.63 1.62 -0.13 0.00 0.00 178.44 179.67 2hgj h VAL 20 N -1.34 1.10 0.00 1.05 3.04 -0.78 -0.26 116.25 119.07 2hgj h VAL 20 Ca -0.14 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2hgj h VAL 20 Cb 1.02 -0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2hgj h VAL 20 CO 0.22 0.21 0.00 0.54 -1.01 0.00 0.00 177.57 177.54 2hgj n ARG 21 N -4.51 0.00 -0.36 4.17 5.12 -0.43 -0.71 116.66 119.94 2hgj n ARG 21 Ca 0.15 0.57 -0.04 0.00 -1.93 0.00 0.00 57.85 56.60 2hgj n ARG 21 Cb 0.16 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2hgj n ARG 21 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2hgj n GLU 22 N -1.78 -0.27 -0.24 5.56 -0.58 -0.10 0.43 120.64 123.65 2hgj n GLU 22 Ca 0.00 1.41 -0.12 0.00 -0.42 0.00 0.00 57.16 58.03 2hgj n GLU 22 Cb 0.00 -2.09 -0.09 0.00 -0.57 0.00 0.00 31.44 28.69 2hgj n GLU 22 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2hgj h LYS 23 N 0.00 -0.21 -0.90 3.49 1.57 -0.64 0.98 116.57 120.87 2hgj h LYS 23 Ca 0.27 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.29 2hgj h LYS 23 Cb 0.50 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.73 2hgj h LYS 23 CO -0.90 -0.14 0.37 0.87 -0.57 0.00 0.00 179.45 179.08 2hgj h LYS 24 N -0.22 0.35 0.10 3.15 1.57 0.22 1.20 116.57 122.95 2hgj h LYS 24 Ca 0.10 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2hgj h LYS 24 Cb 0.48 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 2hgj h LYS 24 CO -0.69 0.23 -0.48 0.00 -0.57 0.00 0.00 179.45 177.94 2hgj h ARG 25 N 0.36 -0.67 -0.63 3.15 2.47 0.24 0.13 114.38 119.43 2hgj h ARG 25 Ca 0.57 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 59.39 2hgj h ARG 25 Cb 1.10 0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 29.49 2hgj h ARG 25 CO -0.55 -0.45 -0.37 -1.91 0.56 0.00 0.00 179.97 177.25 2hgj n GLU 26 N -5.48 -0.28 -0.20 0.04 2.13 0.40 0.11 120.64 117.36 2hgj n GLU 26 Ca -0.08 1.17 0.01 0.00 0.66 0.00 0.00 57.16 58.92 2hgj n GLU 26 Cb 0.40 -1.72 0.12 0.00 0.27 0.00 0.00 31.44 30.50 2hgj n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2hgj h LEU 27 N 0.00 0.01 -0.93 4.31 4.07 -0.58 0.66 115.31 122.86 2hgj h LEU 27 Ca 0.10 0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.28 2hgj h LEU 27 Cb 0.26 0.15 -0.13 0.00 1.08 0.00 0.00 40.66 42.03 2hgj h LEU 27 CO -0.60 0.01 -0.53 -0.03 -1.08 0.00 0.00 178.44 176.21 2hgj h MET 28 N 0.27 -0.04 -0.62 1.13 4.05 0.29 0.92 114.93 120.92 2hgj h MET 28 Ca 0.33 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.82 2hgj h MET 28 Cb 0.49 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.20 2hgj h MET 28 CO -0.41 -0.03 -0.55 0.93 0.23 0.00 0.00 176.91 177.08 2hgj h GLU 29 N -0.05 -0.24 -0.94 0.39 5.08 0.21 1.42 114.58 120.45 2hgj h GLU 29 Ca 0.20 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.76 2hgj h GLU 29 Cb 0.48 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.61 2hgj h GLU 29 CO -0.91 -0.16 -0.24 -0.07 -1.00 0.00 0.00 179.01 176.63 2hgj h LEU 30 N -0.25 -0.90 -0.64 1.33 3.38 0.22 1.05 115.31 119.50 2hgj h LEU 30 Ca 0.12 0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.49 2hgj h LEU 30 Cb 0.54 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 2hgj h LEU 30 CO -0.72 -0.31 -0.28 0.03 0.09 0.00 0.00 178.44 177.25 2hgj h ARG 31 N -0.00 -0.10 -0.76 1.13 3.08 0.40 4.18 114.38 122.31 2hgj h ARG 31 Ca 0.44 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.64 2hgj h ARG 31 Cb 0.68 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 2hgj h ARG 31 CO -0.97 -0.07 0.50 0.74 -1.07 0.00 0.00 179.97 179.11 2hgj h PHE 32 N -0.10 0.56 -0.95 3.04 -1.00 0.23 0.16 116.94 118.88 2hgj h PHE 32 Ca 0.27 0.02 0.14 0.00 2.81 0.00 0.00 57.97 61.21 2hgj h PHE 32 Cb 0.54 -0.18 -0.08 0.00 3.61 0.00 0.00 35.95 39.84 2hgj h PHE 32 CO -0.62 0.23 0.60 1.96 -1.61 0.00 0.00 178.31 178.87 2hgj h GLN 33 N 0.49 0.78 -3.36 1.51 7.50 0.96 -3.40 115.11 119.59 2hgj h GLN 33 Ca 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.47 2hgj h GLN 33 Cb 0.75 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.10 2hgj h GLN 33 CO -0.13 0.52 0.29 0.00 -1.50 0.00 0.00 178.83 178.01 2hgj n ALA 34 N -2.39 0.00 0.00 3.87 0.00 0.57 -0.64 120.51 121.92 2hgj n ALA 34 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2hgj n ALA 34 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2hgj n ALA 34 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hgj n SER 35 N 2.32 0.00 0.00 0.00 3.41 -1.26 -5.12 113.62 112.97 2hgj n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hgj n SER 35 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2hgj n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgj n ILE 36 N 0.00 0.00 0.00 -1.33 0.00 0.19 -4.95 119.36 113.27 2hgj n ILE 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 2hgj n ILE 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 2hgj n ILE 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hgj n GLY 37 N 4.79 -3.08 5.80 4.50 0.00 -1.26 -4.77 105.19 111.17 2hgj n GLY 37 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2hgj n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgj n GLN 38 N -2.79 0.00 0.00 1.61 6.02 -1.26 -4.63 117.38 116.33 2hgj n GLN 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hgj n GLN 38 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2hgj n GLN 38 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hgj n LEU 39 N 0.00 0.00 -0.03 1.08 4.77 -1.26 0.13 117.00 121.69 2hgj n LEU 39 Ca 0.00 0.09 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2hgj n LEU 39 Cb 0.00 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 2hgj n LEU 39 CO 0.00 0.00 1.17 -1.28 -1.33 0.00 0.00 177.39 175.95 2hgj h SER 40 N 0.00 0.40 -0.66 -1.43 0.87 -2.00 -3.09 113.55 107.64 2hgj h SER 40 Ca 0.00 -0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2hgj h SER 40 Cb 0.00 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 61.76 2hgj h SER 40 CO 0.00 0.27 -0.43 1.56 -0.53 0.00 0.00 176.83 177.70 2hgj h GLN 41 N 0.46 -0.17 0.00 2.24 4.20 0.75 -3.21 115.11 119.38 2hgj h GLN 41 Ca 0.20 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2hgj h GLN 41 Cb 0.22 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2hgj h GLN 41 CO -0.05 -0.12 0.00 0.09 -0.67 0.00 0.00 178.83 178.08 2hgj n ASN 42 N -5.41 0.00 0.13 1.46 3.02 -0.51 0.19 115.26 114.16 2hgj n ASN 42 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.44 2hgj n ASN 42 Cb 0.35 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 2hgj n ASN 42 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2hgj h HIS 43 N 0.00 -0.93 -0.97 3.10 -0.00 -1.86 -1.20 115.15 113.29 2hgj h HIS 43 Ca 0.00 0.02 0.32 0.00 -0.00 0.00 0.00 60.37 60.71 2hgj h HIS 43 Cb 0.00 0.39 -0.17 0.00 -0.00 0.00 0.00 27.41 27.63 2hgj h HIS 43 CO 0.00 -0.45 0.34 -0.22 -0.00 0.00 0.00 177.93 177.59 2hgj h LYS 44 N -0.60 0.11 0.00 2.45 1.63 0.19 0.55 116.57 120.90 2hgj h LYS 44 Ca 0.02 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2hgj h LYS 44 Cb 0.61 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2hgj h LYS 44 CO -0.17 0.07 0.00 0.44 -3.45 0.00 0.00 179.45 176.34 2hgj n ILE 45 N -5.28 0.00 -0.08 2.00 -5.35 -0.55 -0.68 119.36 109.42 2hgj n ILE 45 Ca 0.29 1.17 -0.11 0.00 -0.27 0.00 0.00 62.75 63.83 2hgj n ILE 45 Cb 0.95 -2.12 -0.06 0.00 -1.74 0.00 0.00 39.64 36.67 2hgj n ILE 45 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2hgj h ARG 46 N 0.00 -0.39 0.61 6.28 2.43 -0.23 -0.58 114.38 122.52 2hgj h ARG 46 Ca 0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2hgj h ARG 46 Cb 0.00 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2hgj h ARG 46 CO 0.00 -0.26 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.47 2hgj h ASP 47 N -0.40 -0.70 -0.93 -3.80 3.45 -1.07 -0.84 116.42 112.13 2hgj h ASP 47 Ca 0.11 0.02 0.27 0.00 0.43 0.00 0.00 57.03 57.86 2hgj h ASP 47 Cb 0.61 0.18 -0.15 0.00 -0.56 0.00 0.00 39.33 39.40 2hgj h ASP 47 CO -0.52 -0.34 0.28 0.25 -1.57 0.00 0.00 179.24 177.35 2hgj h LEU 48 N -1.15 0.03 0.39 1.55 5.85 -0.73 2.28 115.31 123.52 2hgj h LEU 48 Ca -0.08 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2hgj h LEU 48 Cb 0.63 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2hgj h LEU 48 CO 0.14 -0.22 -0.30 0.50 -0.34 0.00 0.00 178.44 178.22 2hgj h LYS 49 N 0.17 -0.63 -0.97 1.25 3.64 -0.93 -0.84 116.57 118.25 2hgj h LYS 49 Ca 0.62 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 60.21 2hgj h LYS 49 Cb 1.34 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 33.14 2hgj h LYS 49 CO -0.71 -0.42 -0.33 0.54 -2.27 0.00 0.00 179.45 176.26 2hgj n ARG 50 N -4.18 -0.18 0.18 1.90 1.74 0.75 -0.91 116.66 115.97 2hgj n ARG 50 Ca -0.08 1.50 -0.15 0.00 -0.77 0.00 0.00 57.85 58.35 2hgj n ARG 50 Cb 0.29 -2.24 -0.08 0.00 -1.02 0.00 0.00 32.46 29.41 2hgj n ARG 50 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2hgj h GLN 51 N 0.00 -0.71 -0.44 5.56 4.20 -0.56 0.56 115.11 123.72 2hgj h GLN 51 Ca 0.39 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.23 2hgj h GLN 51 Cb 0.63 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 2hgj h GLN 51 CO -0.98 -0.48 -0.06 0.82 -0.67 0.00 0.00 178.83 177.46 2hgj h ILE 52 N -0.74 0.60 -0.70 2.54 1.08 0.34 0.11 117.51 120.75 2hgj h ILE 52 Ca -0.01 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.53 2hgj h ILE 52 Cb 0.71 0.56 -0.11 0.00 -3.07 0.00 0.00 36.82 34.90 2hgj h ILE 52 CO -0.15 0.01 -0.50 0.00 -0.69 0.00 0.00 178.15 176.82 2hgj h ALA 53 N 1.42 -0.43 -0.19 1.87 0.00 0.04 0.37 119.26 122.33 2hgj h ALA 53 Ca 0.21 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2hgj h ALA 53 Cb 0.32 1.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2hgj h ALA 53 CO -0.41 -0.89 -0.22 0.00 0.00 0.00 0.00 179.25 177.73 2hgj h ARG 54 N -0.18 -0.12 -0.48 0.00 3.08 0.89 0.18 114.38 117.74 2hgj h ARG 54 Ca 0.17 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.31 2hgj h ARG 54 Cb 0.54 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 2hgj h ARG 54 CO -0.77 -0.08 -0.15 1.28 -1.07 0.00 0.00 179.97 179.17 2hgj n LEU 55 N -3.76 -0.24 0.20 3.04 4.32 0.12 0.14 117.00 120.81 2hgj n LEU 55 Ca -0.01 0.83 -0.08 0.00 -0.02 0.00 0.00 56.01 56.73 2hgj n LEU 55 Cb 0.13 -0.22 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 2hgj n LEU 55 CO -0.01 -0.77 0.51 -0.07 -1.22 0.00 0.00 177.39 175.84 2hgj h LEU 56 N 0.00 -0.45 -0.85 2.23 -0.00 0.63 -1.43 115.31 115.44 2hgj h LEU 56 Ca 0.20 0.02 0.33 0.00 -0.00 0.00 0.00 57.88 58.43 2hgj h LEU 56 Cb 0.32 0.12 -0.13 0.00 -0.00 0.00 0.00 40.66 40.97 2hgj h LEU 56 CO -0.49 -0.31 0.49 0.41 -0.00 0.00 0.00 178.44 178.54 2hgj n THR 57 N -3.42 -0.29 0.12 0.22 -1.04 0.37 -0.32 114.28 109.92 2hgj n THR 57 Ca -0.06 1.51 -0.05 0.00 -2.04 0.00 0.00 64.05 63.41 2hgj n THR 57 Cb 0.20 -2.46 -0.02 0.00 -1.82 0.00 0.00 70.33 66.23 2hgj n THR 57 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2hgj h VAL 58 N 0.00 0.00 -0.98 12.58 -1.51 -0.54 -0.14 116.25 125.67 2hgj h VAL 58 Ca 0.66 -0.09 0.28 0.00 -1.23 0.00 0.00 66.70 66.31 2hgj h VAL 58 Cb 1.85 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 30.88 2hgj h VAL 58 CO -0.53 0.00 0.53 0.25 -1.23 0.00 0.00 177.57 176.59 2hgj h LEU 59 N -0.40 0.50 -0.00 4.19 5.85 0.41 0.88 115.31 126.74 2hgj h LEU 59 Ca -0.03 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2hgj h LEU 59 Cb 0.24 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2hgj h LEU 59 CO 0.05 -0.04 -0.00 -1.13 -0.34 0.00 0.00 178.44 176.98 2hgj h ASN 60 N 0.41 -0.01 -0.79 1.25 -1.24 -1.12 -0.89 115.58 113.19 2hgj h ASN 60 Ca 0.67 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.75 2hgj h ASN 60 Cb 1.40 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.35 2hgj h ASN 60 CO -0.56 -0.00 -0.48 -0.08 -1.29 0.00 0.00 177.43 175.02 2hgj h GLU 61 N -0.00 -0.02 0.81 6.67 4.81 0.26 0.84 114.58 127.95 2hgj h GLU 61 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2hgj h GLU 61 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.40 2hgj h GLU 61 CO -0.00 -0.01 -0.39 -0.22 -0.73 0.00 0.00 179.01 177.66 2hgj h LYS 62 N -0.02 -1.05 0.00 1.92 3.64 -0.76 -0.53 116.57 119.77 2hgj h LYS 62 Ca 0.13 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2hgj h LYS 62 Cb 0.34 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2hgj h LYS 62 CO -0.75 -0.69 0.00 0.00 -2.27 0.00 0.00 179.45 175.74 2hgj h ARG 63 N -1.18 0.00 0.00 1.90 3.08 -1.19 -0.47 114.38 116.52 2hgj h ARG 63 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2hgj h ARG 63 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2hgj h ARG 63 CO 0.18 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.07 2hgj h ARG 64 N 0.00 -0.01 -0.90 0.04 2.47 -0.42 -0.48 114.38 115.07 2hgj h ARG 64 Ca 0.00 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 2hgj h ARG 64 Cb 0.54 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.80 2hgj h ARG 64 CO 0.00 -0.01 0.58 1.96 0.56 0.00 0.00 179.97 183.06 2hgj h GLN 65 N -0.02 0.75 0.00 0.04 7.50 -0.75 -2.80 115.11 119.83 2hgj h GLN 65 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.10 2hgj h GLN 65 Cb 0.01 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.38 2hgj h GLN 65 CO -0.00 0.49 0.00 -1.71 -1.50 0.00 0.00 178.83 176.11 2hgj n ASN 66 N -4.56 0.00 -0.39 1.46 5.15 -0.22 -5.12 115.26 111.58 2hgj n ASN 66 Ca 0.17 0.73 0.14 0.00 -0.60 0.00 0.00 54.58 55.02 2hgj n ASN 66 Cb 0.42 -0.23 0.60 0.00 -0.53 0.00 0.00 39.78 40.05 2hgj n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66