#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hma n ASP 3 N 0.00 0.00 -4.83 -3.46 -0.08 -1.26 -5.12 116.55 101.80 1hma n ASP 3 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1hma n ASP 3 Cb 0.00 0.02 -0.06 0.00 2.34 0.00 0.00 41.12 43.42 1hma n ASP 3 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1hma s LYS 4 N -1.89 3.76 0.75 -0.67 2.20 -1.26 -4.72 119.74 117.91 1hma s LYS 4 Ca 0.00 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.53 1hma s LYS 4 Cb 0.00 -3.26 0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1hma s LYS 4 CO 0.00 0.63 1.10 -1.25 -0.36 0.00 0.00 175.35 175.47 1hma s PRO 5 N -0.67 2.46 -0.67 4.03 0.04 -1.26 -4.96 135.00 133.96 1hma s PRO 5 Ca 0.17 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.48 1hma s PRO 5 Cb -0.13 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1hma s PRO 5 CO 0.06 -1.33 1.46 0.15 0.04 0.00 0.00 177.00 177.38 1hma s LYS 6 N -5.27 3.06 0.41 4.56 1.02 -1.26 -4.96 119.74 117.30 1hma s LYS 6 Ca 0.59 0.11 -0.25 0.00 0.02 0.00 0.00 55.97 56.45 1hma s LYS 6 Cb -0.13 -4.23 -0.11 0.00 -0.52 0.00 0.00 37.83 32.85 1hma s LYS 6 CO 0.53 -2.27 1.00 2.89 -0.92 0.00 0.00 175.35 176.58 1hma n ARG 7 N 9.20 1.34 -2.42 1.68 1.85 -1.26 -4.87 116.66 122.17 1hma n ARG 7 Ca 0.09 0.48 -0.37 0.00 -1.00 0.00 0.00 57.85 57.05 1hma n ARG 7 Cb 0.50 -2.01 -0.03 0.00 -1.05 0.00 0.00 32.46 29.87 1hma n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1hma s PRO 8 N -1.96 4.02 0.15 2.89 0.04 -1.26 -5.06 135.00 133.83 1hma s PRO 8 Ca 0.63 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 1hma s PRO 8 Cb -0.57 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1hma s PRO 8 CO 0.57 -0.29 0.18 -0.48 0.04 0.00 0.00 177.00 177.01 1hma s LEU 9 N -2.74 1.32 0.57 -3.56 0.05 -1.26 -5.13 118.68 107.92 1hma s LEU 9 Ca 0.59 -1.06 -0.20 0.00 0.05 0.00 0.00 54.13 53.51 1hma s LEU 9 Cb -0.25 0.75 -0.05 0.00 -2.05 0.00 0.00 46.19 44.59 1hma s LEU 9 CO 0.31 -0.82 1.18 -0.24 -0.55 0.00 0.00 176.35 176.23 1hma n SER 10 N -0.17 1.78 -0.26 1.48 2.88 -1.26 -4.82 113.62 113.25 1hma n SER 10 Ca -0.06 0.90 0.06 0.00 -1.33 0.00 0.00 58.87 58.44 1hma n SER 10 Cb 0.63 -1.49 0.29 0.00 -0.75 0.00 0.00 64.21 62.90 1hma n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hma h ALA 11 N 0.98 1.61 -0.54 -1.46 0.00 -1.96 0.57 119.26 118.46 1hma h ALA 11 Ca -0.49 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1hma h ALA 11 Cb 1.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1hma h ALA 11 CO 0.54 0.24 0.36 -0.92 0.00 0.00 0.00 179.25 179.48 1hma h TYR 12 N 0.90 0.42 -0.10 0.00 3.20 -1.99 -1.88 116.97 117.51 1hma h TYR 12 Ca 0.38 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.20 1hma h TYR 12 Cb 0.30 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1hma h TYR 12 CO -0.00 0.21 -0.16 0.52 -1.64 0.00 0.00 178.16 177.09 1hma h MET 13 N 0.40 0.29 -0.91 1.82 0.00 -1.22 -2.19 114.93 113.12 1hma h MET 13 Ca 0.24 -0.18 0.21 0.00 0.00 0.00 0.00 59.70 59.97 1hma h MET 13 Cb 0.44 0.02 -0.12 0.00 0.00 0.00 0.00 31.60 31.94 1hma h MET 13 CO -0.06 0.75 0.45 -0.07 0.00 0.00 0.00 176.91 177.98 1hma h LEU 14 N -0.14 0.45 -0.16 1.22 3.38 -1.10 0.19 115.31 119.15 1hma h LEU 14 Ca 0.01 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1hma h LEU 14 Cb 0.73 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1hma h LEU 14 CO 0.04 0.08 0.04 -0.25 0.09 0.00 0.00 178.44 178.44 1hma h TRP 15 N 0.50 0.27 -0.70 1.13 7.01 -1.37 -2.43 115.95 120.36 1hma h TRP 15 Ca 0.55 -0.03 0.18 0.00 2.11 0.00 0.00 58.89 61.70 1hma h TRP 15 Cb 0.99 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 1hma h TRP 15 CO -0.10 0.39 0.49 -0.07 -2.79 0.00 0.00 178.44 176.36 1hma h LEU 16 N 0.08 0.16 -0.11 0.65 3.38 -0.03 -0.87 115.31 118.57 1hma h LEU 16 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1hma h LEU 16 Cb 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1hma h LEU 16 CO -0.00 0.08 -0.02 0.78 0.09 0.00 0.00 178.44 179.37 1hma h ASN 17 N 0.17 0.20 -0.00 -0.43 2.35 -0.69 0.30 115.58 117.48 1hma h ASN 17 Ca 0.34 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1hma h ASN 17 Cb 1.10 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1hma h ASN 17 CO -0.06 0.51 0.00 -1.20 -1.65 0.00 0.00 177.43 175.03 1hma n SER 18 N -4.77 0.01 -0.00 5.81 7.64 -0.53 -3.04 113.62 118.73 1hma n SER 18 Ca -0.06 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1hma n SER 18 Cb 0.23 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1hma n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hma n ALA 19 N -0.71 2.01 0.19 -0.43 0.00 -0.44 -4.60 120.51 116.52 1hma n ALA 19 Ca 0.10 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1hma n ALA 19 Cb 0.05 -0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.08 1hma n ALA 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1hma n ARG 20 N -1.10 0.15 -0.03 0.00 0.63 0.10 -0.23 116.66 116.18 1hma n ARG 20 Ca 0.00 0.62 -0.01 0.00 -0.92 0.00 0.00 57.85 57.55 1hma n ARG 20 Cb 0.00 -1.96 -0.00 0.00 0.45 0.00 0.00 32.46 30.95 1hma n ARG 20 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1hma h GLU 21 N 0.00 0.00 0.00 -0.14 5.08 -1.81 -1.43 114.58 116.28 1hma h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hma h GLU 21 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1hma h GLU 21 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1hma n SER 22 N -3.63 0.03 -0.06 1.42 7.64 -1.13 -1.30 113.62 116.58 1hma n SER 22 Ca -0.01 0.51 -0.21 0.00 1.01 0.00 0.00 58.87 60.17 1hma n SER 22 Cb 0.03 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 1hma n SER 22 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hma h ILE 23 N 0.00 0.89 0.00 0.44 2.04 -0.69 -2.62 117.51 117.57 1hma h ILE 23 Ca 0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1hma h ILE 23 Cb 0.16 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1hma h ILE 23 CO 0.00 0.50 0.00 0.11 0.00 0.00 0.00 178.15 178.76 1hma h LYS 24 N -0.67 0.00 0.00 2.37 1.79 -0.88 -2.87 116.57 116.30 1hma h LYS 24 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1hma h LYS 24 Cb 1.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1hma h LYS 24 CO -0.10 0.00 -0.31 0.54 -1.08 0.00 0.00 179.45 178.50 1hma n ARG 25 N -2.99 0.20 -0.29 3.15 1.74 -0.42 -4.32 116.66 113.73 1hma n ARG 25 Ca 0.02 0.22 0.34 0.00 -0.77 0.00 0.00 57.85 57.66 1hma n ARG 25 Cb 0.37 -1.00 0.72 0.00 -1.02 0.00 0.00 32.46 31.53 1hma n ARG 25 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1hma h GLU 26 N -0.41 0.00 -6.58 5.56 5.08 -1.61 -3.39 114.58 113.22 1hma h GLU 26 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1hma h GLU 26 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1hma h GLU 26 CO 0.00 0.00 0.07 -0.80 -1.00 0.00 0.00 179.01 177.28 1hma s ASN 27 N -4.81 6.91 -1.29 1.42 0.01 -1.08 -4.96 114.94 111.13 1hma s ASN 27 Ca -0.05 1.30 -0.17 0.00 -0.71 0.00 0.00 52.86 53.24 1hma s ASN 27 Cb 0.21 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1hma s ASN 27 CO 0.73 -0.05 2.07 -0.81 -1.51 0.00 0.00 177.10 177.53 1hma n PRO 28 N 0.31 2.60 -2.21 -0.60 -0.04 -1.26 -4.36 135.00 129.44 1hma n PRO 28 Ca -0.01 -2.59 -0.06 0.00 -0.04 0.00 0.00 63.50 60.81 1hma n PRO 28 Cb 0.52 -3.29 -0.01 0.00 -0.04 0.00 0.00 33.50 30.69 1hma n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hma n GLY 29 N 4.52 -0.30 2.79 0.55 0.00 -1.26 -4.76 105.19 106.73 1hma n GLY 29 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 1hma n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hma n ILE 30 N -2.60 0.00 -1.53 -0.61 3.06 -1.26 -4.86 119.36 111.56 1hma n ILE 30 Ca -0.06 -0.44 -0.32 0.00 -2.50 0.00 0.00 62.75 59.42 1hma n ILE 30 Cb 0.48 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.73 1hma n ILE 30 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1hma s LYS 31 N -1.19 2.52 0.52 9.51 3.01 -1.26 -4.83 119.74 128.02 1hma s LYS 31 Ca 0.45 1.33 0.31 0.00 -1.01 0.00 0.00 55.97 57.05 1hma s LYS 31 Cb -0.34 -1.92 1.20 0.00 -1.01 0.00 0.00 37.83 35.76 1hma s LYS 31 CO 0.63 -1.46 1.93 -0.24 0.51 0.00 0.00 175.35 176.72 1hma h VAL 32 N -0.46 0.15 0.00 3.17 3.04 -2.00 -0.99 116.25 119.17 1hma h VAL 32 Ca -0.45 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 1hma h VAL 32 Cb 1.24 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1hma h VAL 32 CO 0.53 0.06 0.00 0.41 -1.01 0.00 0.00 177.57 177.55 1hma n THR 33 N -3.18 0.19 0.08 3.17 -1.04 -1.26 -3.27 114.28 108.97 1hma n THR 33 Ca 0.01 0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 1hma n THR 33 Cb 0.35 -0.59 -0.01 0.00 -1.82 0.00 0.00 70.33 68.26 1hma n THR 33 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1hma n GLU 34 N -1.51 5.75 -0.16 -2.82 1.02 -0.80 -4.62 120.64 117.50 1hma n GLU 34 Ca 0.06 -0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1hma n GLU 34 Cb 0.31 -0.64 0.17 0.00 -0.02 0.00 0.00 31.44 31.27 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hma h VAL 35 N 0.00 1.23 -0.02 2.62 2.07 -1.19 -1.93 116.25 119.02 1hma h VAL 35 Ca 0.00 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 1hma h VAL 35 Cb 0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1hma h VAL 35 CO 0.00 0.30 -0.52 0.00 0.02 0.00 0.00 177.57 177.37 1hma h ALA 36 N 1.32 1.09 -0.08 1.67 0.00 -1.82 -2.17 119.26 119.27 1hma h ALA 36 Ca 0.19 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1hma h ALA 36 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hma h ALA 36 CO -0.01 0.66 0.01 -0.22 0.00 0.00 0.00 179.25 179.69 1hma h LYS 37 N 0.05 0.13 0.00 0.00 1.63 -1.62 -1.45 116.57 115.30 1hma h LYS 37 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1hma h LYS 37 Cb 0.94 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1hma h LYS 37 CO 0.07 0.35 0.00 -0.09 -3.45 0.00 0.00 179.45 176.33 1hma h ARG 38 N -0.11 0.00 0.00 1.90 1.12 -1.38 -2.03 114.38 113.87 1hma h ARG 38 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1hma h ARG 38 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1hma h ARG 38 CO 0.00 0.00 -0.47 0.41 -3.11 0.00 0.00 179.97 176.80 1hma n GLY 39 N -0.04 -1.45 0.09 2.80 0.00 -0.82 -3.65 105.19 102.12 1hma n GLY 39 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1hma n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hma n GLY 40 N 1.36 -1.27 0.15 -0.02 0.00 -0.60 -3.19 105.19 101.62 1hma n GLY 40 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1hma n GLY 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1hma h GLU 41 N 0.00 0.42 -0.11 1.61 4.11 -1.59 -0.73 114.58 118.29 1hma h GLU 41 Ca -0.11 -0.11 -0.23 0.00 0.07 0.00 0.00 59.36 58.98 1hma h GLU 41 Cb 1.36 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.57 1hma h GLU 41 CO 0.03 0.54 -0.83 -0.07 0.07 0.00 0.00 179.01 178.75 1hma h LEU 42 N 0.23 0.86 -1.09 3.06 3.38 -1.72 -2.92 115.31 117.11 1hma h LEU 42 Ca 0.08 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1hma h LEU 42 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1hma h LEU 42 CO 0.00 1.39 0.00 -0.25 0.09 0.00 0.00 178.44 179.67 1hma h TRP 43 N 0.47 0.00 0.73 1.13 2.91 -1.50 -3.06 115.95 116.63 1hma h TRP 43 Ca -0.07 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 1hma h TRP 43 Cb 1.46 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.11 1hma h TRP 43 CO 0.08 0.00 -0.35 -0.09 -1.03 0.00 0.00 178.44 177.05 1hma h ARG 44 N 0.00 -0.95 -0.12 2.65 2.43 -0.92 -2.60 114.38 114.88 1hma h ARG 44 Ca 0.00 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1hma h ARG 44 Cb 0.28 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1hma h ARG 44 CO 0.00 -0.63 0.10 0.00 -1.51 0.00 0.00 179.97 177.93 1hma h ALA 45 N -1.40 1.90 -0.89 2.80 0.00 -1.68 -2.93 119.26 117.06 1hma h ALA 45 Ca -0.10 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.10 1hma h ALA 45 Cb 0.75 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1hma h ALA 45 CO 0.16 -0.16 0.60 -0.12 0.00 0.00 0.00 179.25 179.73 1hma n MET 46 N -4.16 -0.01 0.00 0.00 0.00 -0.98 -4.33 117.12 107.63 1hma n MET 46 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 57.70 58.39 1hma n MET 46 Cb 0.21 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.01 1hma n MET 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1hma n LYS 47 N -3.61 0.00 -2.48 2.12 3.00 -1.11 -3.17 118.16 112.91 1hma n LYS 47 Ca 0.24 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.15 1hma n LYS 47 Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.99 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1hma s ASP 48 N -0.65 6.44 -0.08 3.14 1.01 -1.26 -4.71 116.67 120.56 1hma s ASP 48 Ca 0.00 -2.01 0.07 0.00 0.71 0.00 0.00 52.55 51.32 1hma s ASP 48 Cb 0.00 -2.58 0.36 0.00 1.01 0.00 0.00 42.92 41.71 1hma s ASP 48 CO 0.00 -1.58 1.12 0.29 0.21 0.00 0.00 175.17 175.21 1hma n LYS 49 N 8.53 2.55 -0.19 8.23 4.01 -1.19 -4.37 118.16 135.72 1hma n LYS 49 Ca 0.44 -1.40 0.29 0.00 -0.51 0.00 0.00 58.31 57.13 1hma n LYS 49 Cb 0.47 -1.71 0.57 0.00 -0.51 0.00 0.00 35.03 33.85 1hma n LYS 49 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1hma h SER 50 N 1.88 0.00 0.49 4.39 0.87 -1.90 0.48 113.55 119.76 1hma h SER 50 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1hma h SER 50 Cb 1.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1hma h SER 50 CO 0.17 0.00 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.10 1hma h GLU 51 N 0.00 -0.70 0.07 2.24 4.57 -1.99 -2.60 114.58 116.17 1hma h GLU 51 Ca 0.47 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1hma h GLU 51 Cb 2.53 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 31.28 1hma h GLU 51 CO -0.00 -0.47 -0.04 -1.49 -1.18 0.00 0.00 179.01 175.83 1hma h TRP 52 N -0.73 -0.09 -0.39 0.92 4.06 -1.29 -2.87 115.95 115.56 1hma h TRP 52 Ca -0.07 -0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.01 1hma h TRP 52 Cb 0.58 0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.70 1hma h TRP 52 CO -0.00 -0.06 0.10 0.39 -3.56 0.00 0.00 178.44 175.31 1hma n GLU 53 N -2.45 -0.03 0.09 0.49 1.02 -0.79 0.27 120.64 119.25 1hma n GLU 53 Ca -0.01 0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1hma n GLU 53 Cb 0.04 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 1hma n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 54 N 0.78 -0.27 -0.97 0.62 0.00 -1.50 -2.74 119.26 115.18 1hma h ALA 54 Ca 0.28 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1hma h ALA 54 Cb 0.66 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1hma h ALA 54 CO -0.34 -0.43 0.62 -0.22 0.00 0.00 0.00 179.25 178.88 1hma h LYS 55 N -0.72 0.87 -0.37 0.00 3.11 0.41 0.67 116.57 120.54 1hma h LYS 55 Ca -0.03 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.72 1hma h LYS 55 Cb 0.49 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 1hma h LYS 55 CO 0.04 0.57 0.07 0.00 -2.81 0.00 0.00 179.45 177.33 1hma h ALA 56 N 1.57 1.44 -0.27 5.00 0.00 -0.84 -2.44 119.26 123.72 1hma h ALA 56 Ca 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1hma h ALA 56 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1hma h ALA 56 CO -0.26 0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.56 1hma h ALA 57 N 1.55 0.34 -0.15 0.00 0.00 -0.56 -0.77 119.26 119.67 1hma h ALA 57 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1hma h ALA 57 Cb 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1hma h ALA 57 CO -0.00 -0.17 -0.23 -0.22 0.00 0.00 0.00 179.25 178.62 1hma h LYS 58 N 0.35 -0.27 -0.21 0.00 1.63 -1.20 0.31 116.57 117.18 1hma h LYS 58 Ca 0.10 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1hma h LYS 58 Cb -0.01 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1hma h LYS 58 CO -0.02 -0.18 0.14 0.00 -3.45 0.00 0.00 179.45 175.94 1hma h ALA 59 N 0.69 2.03 -0.21 5.00 0.00 -1.34 -1.57 119.26 123.87 1hma h ALA 59 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1hma h ALA 59 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1hma h ALA 59 CO -0.32 -0.07 0.13 -0.22 0.00 0.00 0.00 179.25 178.77 1hma h LYS 60 N 0.13 0.26 0.00 0.00 3.64 0.11 0.87 116.57 121.58 1hma h LYS 60 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1hma h LYS 60 Cb 0.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1hma h LYS 60 CO -0.01 0.17 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.90 1hma h ASP 61 N 0.26 -0.00 0.45 4.20 5.19 -0.35 -0.96 116.42 125.22 1hma h ASP 61 Ca 0.08 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1hma h ASP 61 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1hma h ASP 61 CO -0.03 0.43 0.00 0.47 -3.12 0.00 0.00 179.24 176.99 1hma n ASP 62 N -4.88 0.00 -0.10 6.45 9.92 -0.74 -2.03 116.55 125.18 1hma n ASP 62 Ca -0.08 0.37 -0.24 0.00 -0.53 0.00 0.00 54.79 54.31 1hma n ASP 62 Cb 0.23 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 40.15 1hma n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hma n TYR 63 N -1.44 0.70 0.14 1.24 9.36 0.30 -2.01 117.16 125.45 1hma n TYR 63 Ca 0.05 0.25 -0.01 0.00 3.32 0.00 0.00 57.90 61.51 1hma n TYR 63 Cb 0.16 -1.08 0.20 0.00 -0.63 0.00 0.00 39.34 38.00 1hma n TYR 63 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1hma h ASP 64 N -0.73 0.05 0.20 2.98 3.58 -1.16 -0.80 116.42 120.54 1hma h ASP 64 Ca -0.48 -0.03 -0.35 0.00 0.42 0.00 0.00 57.03 56.59 1hma h ASP 64 Cb 1.56 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.61 1hma h ASP 64 CO -0.21 0.60 -1.76 -0.09 -2.88 0.00 0.00 179.24 174.90 1hma h ARG 65 N 0.04 0.39 0.06 0.28 2.43 -1.59 -3.32 114.38 112.67 1hma h ARG 65 Ca -0.00 -0.67 -0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1hma h ARG 65 Cb 1.00 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1hma h ARG 65 CO 0.08 1.31 -0.03 0.00 -1.51 0.00 0.00 179.97 179.82 1hma h ALA 66 N 0.12 -0.09 -0.98 2.80 0.00 -1.40 -3.21 119.26 116.50 1hma h ALA 66 Ca -0.35 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.58 1hma h ALA 66 Cb 2.10 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.77 1hma h ALA 66 CO 0.17 -0.19 0.47 -0.39 0.00 0.00 0.00 179.25 179.32 1hma h VAL 67 N -0.81 0.25 -0.39 0.00 -1.51 -1.31 0.65 116.25 113.13 1hma h VAL 67 Ca -0.01 -0.09 0.08 0.00 -1.23 0.00 0.00 66.70 65.46 1hma h VAL 67 Cb 0.62 -0.02 -0.09 0.00 -2.13 0.00 0.00 31.29 29.68 1hma h VAL 67 CO 0.01 0.05 -0.27 0.50 -1.23 0.00 0.00 177.57 176.63 1hma h LYS 68 N 0.25 -0.19 -0.98 5.19 3.64 -1.65 1.22 116.57 124.05 1hma h LYS 68 Ca 0.71 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.15 1hma h LYS 68 Cb 1.61 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.41 1hma h LYS 68 CO -0.65 -0.13 0.64 0.93 -2.27 0.00 0.00 179.45 177.97 1hma h GLU 69 N -0.20 1.16 0.00 1.90 5.08 0.18 0.20 114.58 122.89 1hma h GLU 69 Ca 0.18 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1hma h GLU 69 Cb 0.49 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1hma h GLU 69 CO -0.51 0.77 -0.20 0.35 -1.00 0.00 0.00 179.01 178.41 1hma h PHE 70 N 1.19 0.00 0.00 4.33 3.57 0.11 -2.28 116.94 123.86 1hma h PHE 70 Ca 0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 1hma h PHE 70 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1hma h PHE 70 CO -0.00 0.20 -0.85 0.39 -2.23 0.00 0.00 178.31 175.82 1hma n GLU 71 N -3.67 0.04 0.14 1.11 1.02 0.38 -3.97 120.64 115.69 1hma n GLU 71 Ca -0.01 -0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 1hma n GLU 71 Cb 0.32 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1hma n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma h ALA 72 N 2.93 0.68 -2.14 0.62 0.00 -0.11 -3.36 119.26 117.88 1hma h ALA 72 Ca 0.00 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 1hma h ALA 72 Cb 0.53 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.83 1hma h ALA 72 CO 0.00 0.63 -0.86 0.09 0.00 0.00 0.00 179.25 179.12 1hma n ASN 73 N -3.24 2.57 0.00 0.00 3.02 -1.19 -5.10 115.26 111.33 1hma n ASN 73 Ca 0.02 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1hma n ASN 73 Cb 0.73 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1hma n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25