#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hma h ASP 3 N 0.00 0.00 -2.54 -3.46 3.32 -2.02 -3.44 116.42 108.28 1hma h ASP 3 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1hma h ASP 3 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1hma h ASP 3 CO 0.00 0.08 1.11 -0.75 -1.72 0.00 0.00 179.24 177.96 1hma s LYS 4 N -1.09 4.14 0.75 3.56 2.47 -1.26 -4.65 119.74 123.66 1hma s LYS 4 Ca -0.00 2.59 -0.11 0.00 -1.56 0.00 0.00 55.97 56.88 1hma s LYS 4 Cb 0.00 -3.59 0.04 0.00 -1.46 0.00 0.00 37.83 32.83 1hma s LYS 4 CO 0.00 -0.84 1.09 -1.25 0.16 0.00 0.00 175.35 174.52 1hma s PRO 5 N 2.71 2.46 -0.24 4.03 0.04 -1.26 -4.96 135.00 137.78 1hma s PRO 5 Ca 0.81 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1hma s PRO 5 Cb -0.46 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1hma s PRO 5 CO 0.36 -1.35 1.72 -1.59 0.04 0.00 0.00 177.00 176.18 1hma s LYS 6 N -5.23 3.64 0.56 4.56 -2.85 -1.26 -4.95 119.74 114.20 1hma s LYS 6 Ca 0.60 1.66 -0.20 0.00 -1.00 0.00 0.00 55.97 57.02 1hma s LYS 6 Cb -0.13 -4.11 -0.05 0.00 -2.06 0.00 0.00 37.83 31.48 1hma s LYS 6 CO 0.53 -1.48 1.19 -0.98 0.10 0.00 0.00 175.35 174.71 1hma s ARG 7 N 5.04 3.21 0.67 1.78 1.70 -1.26 -4.73 118.95 125.36 1hma s ARG 7 Ca 0.76 1.80 -0.13 0.00 -0.47 0.00 0.00 55.73 57.69 1hma s ARG 7 Cb -0.25 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.08 1hma s ARG 7 CO 0.32 -1.01 1.07 -1.25 -1.08 0.00 0.00 175.30 173.35 1hma s PRO 8 N -3.18 2.91 0.00 3.89 0.04 -1.26 -5.04 135.00 132.36 1hma s PRO 8 Ca 0.74 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1hma s PRO 8 Cb -0.29 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1hma s PRO 8 CO 0.33 -1.13 0.00 1.47 0.04 0.00 0.00 177.00 177.71 1hma n LEU 9 N -2.79 0.00 -4.89 -3.56 -0.00 -1.26 -5.13 117.00 99.37 1hma n LEU 9 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.80 1hma n LEU 9 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 1hma n LEU 9 CO 0.52 0.00 0.24 -0.44 -0.00 0.00 0.00 177.39 177.71 1hma s SER 10 N -0.25 6.49 0.40 1.45 0.01 -1.26 -4.94 113.70 115.60 1hma s SER 10 Ca 0.00 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.15 1hma s SER 10 Cb 0.00 -2.19 0.84 0.00 0.21 0.00 0.00 66.02 64.88 1hma s SER 10 CO 0.00 -0.20 2.03 0.00 0.41 0.00 0.00 173.24 175.47 1hma h ALA 11 N 1.78 1.66 -0.09 1.44 0.00 -1.92 0.07 119.26 122.20 1hma h ALA 11 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1hma h ALA 11 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1hma h ALA 11 CO 0.66 0.29 0.06 -0.92 0.00 0.00 0.00 179.25 179.34 1hma h TYR 12 N 0.48 0.11 -0.06 0.00 3.20 -1.93 -2.06 116.97 116.71 1hma h TYR 12 Ca 0.12 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1hma h TYR 12 Cb 0.04 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1hma h TYR 12 CO 0.00 0.07 -0.10 0.52 -1.64 0.00 0.00 178.16 177.02 1hma h MET 13 N 0.12 0.17 -0.58 1.82 2.86 -1.37 -2.40 114.93 115.56 1hma h MET 13 Ca 0.04 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1hma h MET 13 Cb -0.00 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.56 1hma h MET 13 CO -0.01 0.67 -0.09 -0.07 1.06 0.00 0.00 176.91 178.48 1hma h LEU 14 N -0.31 -0.43 -0.15 1.22 3.38 -1.17 0.27 115.31 118.12 1hma h LEU 14 Ca 0.00 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1hma h LEU 14 Cb 0.66 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1hma h LEU 14 CO 0.02 -0.16 -0.02 -0.25 0.09 0.00 0.00 178.44 178.13 1hma h TRP 15 N 0.04 -0.04 -0.25 1.13 7.01 -1.45 -0.08 115.95 122.32 1hma h TRP 15 Ca 0.29 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.37 1hma h TRP 15 Cb 0.45 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1hma h TRP 15 CO -0.43 -0.04 0.24 -0.07 -2.79 0.00 0.00 178.44 175.36 1hma h LEU 16 N 0.03 0.00 0.14 0.65 3.38 -0.49 0.26 115.31 119.28 1hma h LEU 16 Ca 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1hma h LEU 16 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1hma h LEU 16 CO -0.13 0.00 -1.27 0.78 0.09 0.00 0.00 178.44 177.90 1hma h ASN 17 N 0.00 0.46 0.41 -0.43 2.35 0.63 -0.63 115.58 118.38 1hma h ASN 17 Ca 0.12 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1hma h ASN 17 Cb 0.61 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1hma h ASN 17 CO -0.00 1.39 -0.22 -1.54 -1.65 0.00 0.00 177.43 175.41 1hma n SER 18 N -3.54 0.60 -0.06 5.81 3.41 -0.12 -3.72 113.62 116.00 1hma n SER 18 Ca -0.09 -0.50 0.02 0.00 -0.26 0.00 0.00 58.87 58.03 1hma n SER 18 Cb 1.03 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.99 1hma n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hma n ALA 19 N -1.02 2.48 -0.35 7.33 0.00 0.74 -4.57 120.51 125.12 1hma n ALA 19 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1hma n ALA 19 Cb 0.32 -0.13 0.10 0.00 0.00 0.00 0.00 19.45 19.73 1hma n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hma h ARG 20 N 0.29 1.28 -0.01 0.00 3.08 -1.19 0.93 114.38 118.76 1hma h ARG 20 Ca 0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1hma h ARG 20 Cb 0.11 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1hma h ARG 20 CO 0.00 0.90 -0.13 1.49 -1.07 0.00 0.00 179.97 181.16 1hma h GLU 21 N 1.29 0.10 0.00 0.04 4.81 -1.82 -2.27 114.58 116.73 1hma h GLU 21 Ca 0.33 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1hma h GLU 21 Cb -0.03 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1hma h GLU 21 CO -0.06 0.84 0.00 -1.13 -0.73 0.00 0.00 179.01 177.93 1hma n SER 22 N -4.61 0.00 -0.08 1.04 3.41 -1.13 -2.58 113.62 109.67 1hma n SER 22 Ca -0.09 0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 1hma n SER 22 Cb 0.44 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1hma n SER 22 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1hma h ILE 23 N 0.00 0.95 0.00 -1.33 2.04 0.10 -2.16 117.51 117.11 1hma h ILE 23 Ca 0.00 -2.23 -0.01 0.00 1.00 0.00 0.00 64.86 63.62 1hma h ILE 23 Cb 0.22 2.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1hma h ILE 23 CO 0.00 0.43 -0.07 0.07 0.00 0.00 0.00 178.15 178.59 1hma h LYS 24 N -0.81 0.00 0.05 2.37 2.10 -1.31 -2.06 116.57 116.91 1hma h LYS 24 Ca -0.33 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.99 1hma h LYS 24 Cb 1.41 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.70 1hma h LYS 24 CO -0.14 0.07 -1.90 0.54 -2.00 0.00 0.00 179.45 176.02 1hma n ARG 25 N -3.40 0.69 -0.17 0.07 1.74 -1.06 -3.91 116.66 110.62 1hma n ARG 25 Ca -0.02 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.35 1hma n ARG 25 Cb 0.22 -1.73 0.11 0.00 -1.02 0.00 0.00 32.46 30.03 1hma n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1hma n GLU 26 N -3.21 1.76 -4.37 5.56 0.28 -0.81 -4.84 120.64 115.00 1hma n GLU 26 Ca -0.25 -0.85 -0.20 0.00 -0.16 0.00 0.00 57.16 55.70 1hma n GLU 26 Cb 1.05 -1.39 -0.10 0.00 1.43 0.00 0.00 31.44 32.44 1hma n GLU 26 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1hma s ASN 27 N -0.70 2.84 -1.35 -1.84 0.01 -0.81 -5.00 114.94 108.09 1hma s ASN 27 Ca 0.15 -0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 51.15 1hma s ASN 27 Cb 0.09 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.60 1hma s ASN 27 CO 0.08 -0.09 2.09 -0.81 -1.51 0.00 0.00 177.10 176.85 1hma n PRO 28 N -0.30 2.76 -2.21 -0.60 -0.04 -1.26 -4.38 135.00 128.96 1hma n PRO 28 Ca -0.08 -2.67 -0.06 0.00 -0.04 0.00 0.00 63.50 60.65 1hma n PRO 28 Cb 0.60 -3.31 -0.01 0.00 -0.04 0.00 0.00 33.50 30.74 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 4.46 -0.29 2.85 0.55 0.00 -1.26 -4.78 105.19 106.72 1hma n GLY 29 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.61 0.00 -2.46 -0.61 3.06 -1.26 -4.82 119.36 110.66 1hma n ILE 30 Ca -0.07 -0.43 -0.39 0.00 -2.50 0.00 0.00 62.75 59.36 1hma n ILE 30 Cb 0.48 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 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 -1.90 4.47 0.43 9.51 3.01 -1.26 -4.89 119.74 129.11 1hma s LYS 31 Ca 0.38 1.76 0.30 0.00 -1.01 0.00 0.00 55.97 57.40 1hma s LYS 31 Cb -0.14 -3.00 1.45 0.00 -1.01 0.00 0.00 37.83 35.13 1hma s LYS 31 CO 0.77 0.07 1.91 -0.24 0.51 0.00 0.00 175.35 178.37 1hma h VAL 32 N 2.82 0.00 0.00 3.17 3.04 -2.01 0.62 116.25 123.90 1hma h VAL 32 Ca -0.47 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1hma h VAL 32 Cb 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1hma h VAL 32 CO 0.65 0.00 -1.14 0.35 -1.01 0.00 0.00 177.57 176.42 1hma n THR 33 N -2.62 0.36 0.51 3.17 -2.24 -1.26 -3.95 114.28 108.24 1hma n THR 33 Ca -0.00 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1hma n THR 33 Cb 0.16 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 1hma n THR 33 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1hma n GLU 34 N -2.34 0.32 -0.20 -0.78 4.07 -0.42 -4.28 120.64 117.02 1hma n GLU 34 Ca 0.00 -0.09 0.12 0.00 -0.06 0.00 0.00 57.16 57.13 1hma n GLU 34 Cb 0.51 -1.52 0.42 0.00 -0.06 0.00 0.00 31.44 30.79 1hma n GLU 34 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1hma h VAL 35 N 0.00 0.87 0.00 6.31 2.07 -1.06 0.55 116.25 124.99 1hma h VAL 35 Ca 0.00 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1hma h VAL 35 Cb 0.74 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1hma h VAL 35 CO 0.00 0.11 -0.63 0.00 0.02 0.00 0.00 177.57 177.07 1hma h ALA 36 N 1.62 0.61 0.35 1.67 0.00 -1.79 -2.79 119.26 118.93 1hma h ALA 36 Ca 0.37 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1hma h ALA 36 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1hma h ALA 36 CO -0.14 0.79 -0.17 -0.22 0.00 0.00 0.00 179.25 179.51 1hma h LYS 37 N 0.00 -0.46 0.00 0.00 1.63 -1.10 -2.76 116.57 113.88 1hma h LYS 37 Ca -0.01 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 1hma h LYS 37 Cb 1.46 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 33.18 1hma h LYS 37 CO 0.08 -0.22 -0.34 -0.09 -3.45 0.00 0.00 179.45 175.43 1hma h ARG 38 N -0.62 0.00 0.00 1.90 9.65 -1.58 -2.39 114.38 121.34 1hma h ARG 38 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1hma h ARG 38 Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1hma h ARG 38 CO 0.08 0.34 0.13 0.78 2.80 0.00 0.00 179.97 184.09 1hma h GLY 39 N 1.41 0.00 1.48 2.80 0.00 -1.20 0.42 103.07 107.99 1hma h GLY 39 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1hma h GLY 39 CO 0.04 0.00 -1.36 -1.33 0.00 0.00 0.00 176.54 173.90 1hma h GLY 40 N 0.00 0.25 0.94 4.60 0.00 -1.38 -2.77 103.07 104.71 1hma h GLY 40 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1hma h GLY 40 CO 0.00 0.56 -0.40 1.05 0.00 0.00 0.00 176.54 177.75 1hma h GLU 41 N 0.06 0.62 -0.33 4.80 4.11 -1.05 -3.08 114.58 119.71 1hma h GLU 41 Ca -0.17 -0.40 -0.06 0.00 0.07 0.00 0.00 59.36 58.80 1hma h GLU 41 Cb 1.97 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 1hma h GLU 41 CO 0.17 1.02 -0.01 -0.07 0.07 0.00 0.00 179.01 180.19 1hma h LEU 42 N 0.30 0.59 -1.71 3.06 3.38 -1.56 -2.68 115.31 116.69 1hma h LEU 42 Ca 0.01 -0.32 0.18 0.00 0.09 0.00 0.00 57.88 57.84 1hma h LEU 42 Cb 1.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1hma h LEU 42 CO 0.09 0.76 0.53 -0.25 0.09 0.00 0.00 178.44 179.67 1hma h TRP 43 N 0.40 0.33 -0.08 1.13 2.91 -1.51 1.99 115.95 121.11 1hma h TRP 43 Ca 0.09 0.01 -0.20 0.00 1.13 0.00 0.00 58.89 59.93 1hma h TRP 43 Cb 0.47 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1hma h TRP 43 CO 0.04 0.11 -0.77 -0.09 -1.03 0.00 0.00 178.44 176.70 1hma h ARG 44 N 0.26 0.48 -0.25 2.65 2.43 -1.38 -3.24 114.38 115.33 1hma h ARG 44 Ca 0.39 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1hma h ARG 44 Cb 1.12 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1hma h ARG 44 CO -0.10 1.04 0.00 0.00 -1.51 0.00 0.00 179.97 179.41 1hma n ALA 45 N -2.53 2.88 -1.00 2.80 0.00 0.13 -4.88 120.51 117.90 1hma n ALA 45 Ca -0.05 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1hma n ALA 45 Cb 0.73 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1hma n ALA 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1hma n MET 46 N -0.49 0.00 0.00 0.00 0.00 0.65 -5.00 117.12 112.28 1hma n MET 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1hma n MET 46 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.06 1hma n MET 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1hma n LYS 47 N 0.00 0.00 -3.69 2.12 5.02 -1.26 -5.07 118.16 115.28 1hma n LYS 47 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1hma n LYS 47 Cb 0.00 -0.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.91 1hma n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hma s ASP 48 N -4.61 -0.60 0.00 4.39 1.11 -1.26 -5.01 116.67 110.68 1hma s ASP 48 Ca 0.00 1.08 0.22 0.00 0.18 0.00 0.00 52.55 54.02 1hma s ASP 48 Cb 0.00 1.02 1.28 0.00 1.07 0.00 0.00 42.92 46.29 1hma s ASP 48 CO 0.00 -0.19 1.83 0.29 1.18 0.00 0.00 175.17 178.27 1hma n LYS 49 N 3.54 1.02 0.08 8.23 5.02 -1.26 -3.06 118.16 131.72 1hma n LYS 49 Ca -0.18 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1hma n LYS 49 Cb 0.56 -1.34 0.07 0.00 -0.02 0.00 0.00 35.03 34.30 1hma n LYS 49 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1hma h SER 50 N 0.06 0.00 0.58 4.39 0.02 -1.98 -2.96 113.55 113.66 1hma h SER 50 Ca 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1hma h SER 50 Cb 0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1hma h SER 50 CO 0.00 0.07 -0.28 -0.08 -1.14 0.00 0.00 176.83 175.40 1hma h GLU 51 N 0.00 -0.75 -0.01 3.45 4.81 -1.98 -2.84 114.58 117.27 1hma h GLU 51 Ca 0.00 0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 1hma h GLU 51 Cb 0.87 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1hma h GLU 51 CO 0.00 -0.44 -0.86 -1.49 -0.73 0.00 0.00 179.01 175.49 1hma h TRP 52 N -1.04 0.41 -0.37 0.92 4.06 -1.78 -2.73 115.95 115.42 1hma h TRP 52 Ca -0.08 -0.22 0.08 0.00 2.06 0.00 0.00 58.89 60.73 1hma h TRP 52 Cb 0.66 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.69 1hma h TRP 52 CO 0.00 1.01 -0.10 1.05 -3.56 0.00 0.00 178.44 176.84 1hma h GLU 53 N 0.17 -0.02 -0.42 0.49 4.11 -1.56 0.13 114.58 117.49 1hma h GLU 53 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 1hma h GLU 53 Cb 1.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1hma h GLU 53 CO 0.14 -0.01 -0.10 0.00 0.07 0.00 0.00 179.01 179.10 1hma h ALA 54 N 1.34 1.04 -0.71 1.06 0.00 -1.53 -2.66 119.26 117.80 1hma h ALA 54 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1hma h ALA 54 Cb 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1hma h ALA 54 CO -0.39 0.59 0.47 0.87 0.00 0.00 0.00 179.25 180.78 1hma h LYS 55 N 0.67 0.85 -0.33 0.00 1.79 -0.59 -1.44 116.57 117.53 1hma h LYS 55 Ca 0.12 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 1hma h LYS 55 Cb 0.57 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1hma h LYS 55 CO 0.04 0.56 -0.14 0.00 -1.08 0.00 0.00 179.45 178.82 1hma h ALA 56 N 1.58 1.14 -0.62 3.86 0.00 -0.49 -2.90 119.26 121.84 1hma h ALA 56 Ca 0.28 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1hma h ALA 56 Cb 0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.58 1hma h ALA 56 CO -0.08 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1hma h ALA 57 N 1.32 0.59 -0.09 0.00 0.00 -1.19 -0.93 119.26 118.97 1hma h ALA 57 Ca 0.09 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1hma h ALA 57 Cb 0.55 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1hma h ALA 57 CO 0.04 -0.40 -0.54 -0.22 0.00 0.00 0.00 179.25 178.12 1hma h LYS 58 N 0.10 -0.59 -0.54 0.00 1.63 -1.55 0.42 116.57 116.04 1hma h LYS 58 Ca 0.32 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.32 1hma h LYS 58 Cb 0.53 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 1hma h LYS 58 CO -0.55 -0.40 0.39 0.00 -3.45 0.00 0.00 179.45 175.44 1hma h ALA 59 N -0.33 2.50 -0.36 5.00 0.00 -1.40 -0.45 119.26 124.21 1hma h ALA 59 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1hma h ALA 59 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hma h ALA 59 CO -0.41 -0.65 0.20 -0.22 0.00 0.00 0.00 179.25 178.16 1hma h LYS 60 N 0.01 0.51 -0.08 0.00 3.64 0.11 0.77 116.57 121.53 1hma h LYS 60 Ca 0.26 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1hma h LYS 60 Cb 1.02 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1hma h LYS 60 CO -0.01 0.43 -0.19 0.22 -2.27 0.00 0.00 179.45 177.62 1hma h ASP 61 N 0.46 0.31 0.65 4.20 3.58 -0.05 -1.03 116.42 124.54 1hma h ASP 61 Ca 0.13 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1hma h ASP 61 Cb 0.07 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1hma h ASP 61 CO -0.02 0.84 0.00 0.47 -2.88 0.00 0.00 179.24 177.65 1hma n ASP 62 N -4.55 0.00 -0.10 2.28 9.92 -0.66 -2.18 116.55 121.27 1hma n ASP 62 Ca -0.08 0.47 -0.24 0.00 -0.53 0.00 0.00 54.79 54.41 1hma n ASP 62 Cb 0.41 -0.49 -0.12 0.00 -0.64 0.00 0.00 41.12 40.29 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 -1.49 0.57 0.19 1.24 9.36 0.27 -2.05 117.16 125.25 1hma n TYR 63 Ca 0.05 0.20 0.04 0.00 3.32 0.00 0.00 57.90 61.51 1hma n TYR 63 Cb 0.22 -1.06 0.35 0.00 -0.63 0.00 0.00 39.34 38.22 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 -0.67 0.00 0.20 2.98 1.82 -1.22 -0.42 116.42 119.11 1hma h ASP 64 Ca -0.52 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.77 1hma h ASP 64 Cb 1.62 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 1hma h ASP 64 CO -0.21 0.39 -1.85 -0.09 -1.61 0.00 0.00 179.24 175.87 1hma h ARG 65 N 0.00 0.30 0.00 0.28 2.43 -1.61 -3.33 114.38 112.45 1hma h ARG 65 Ca -0.00 -0.51 -0.14 0.00 -0.81 0.00 0.00 59.98 58.51 1hma h ARG 65 Cb 0.83 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1hma h ARG 65 CO 0.05 1.21 -0.66 0.00 -1.51 0.00 0.00 179.97 179.06 1hma h ALA 66 N 0.18 0.58 -0.49 2.80 0.00 -1.38 -3.26 119.26 117.69 1hma h ALA 66 Ca -0.37 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 1hma h ALA 66 Cb 2.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1hma h ALA 66 CO 0.13 0.82 -0.10 -0.39 0.00 0.00 0.00 179.25 179.71 1hma h VAL 67 N 0.00 1.27 -1.01 0.00 -1.51 -1.24 -1.42 116.25 112.35 1hma h VAL 67 Ca -0.01 -1.23 0.24 0.00 -1.23 0.00 0.00 66.70 64.47 1hma h VAL 67 Cb 1.50 1.06 -0.11 0.00 -2.13 0.00 0.00 31.29 31.62 1hma h VAL 67 CO 0.08 0.42 0.62 0.11 -1.23 0.00 0.00 177.57 177.58 1hma h LYS 68 N 0.77 0.55 0.12 5.19 1.57 -1.67 1.01 116.57 124.11 1hma h LYS 68 Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1hma h LYS 68 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1hma h LYS 68 CO 0.04 0.36 -0.06 1.05 -0.57 0.00 0.00 179.45 180.28 1hma h GLU 69 N 0.57 -0.15 -0.46 3.15 4.11 -1.53 0.16 114.58 120.41 1hma h GLU 69 Ca 0.61 0.01 0.13 0.00 0.07 0.00 0.00 59.36 60.18 1hma h GLU 69 Cb 1.22 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1hma h GLU 69 CO -0.39 0.24 0.48 0.35 0.07 0.00 0.00 179.01 179.76 1hma h PHE 70 N -0.59 0.00 0.00 2.06 3.57 0.60 0.24 116.94 122.82 1hma h PHE 70 Ca -0.02 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1hma h PHE 70 Cb 0.46 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1hma h PHE 70 CO 0.06 0.00 -1.81 0.39 -2.23 0.00 0.00 178.31 174.72 1hma n GLU 71 N -3.75 0.65 0.00 1.11 1.02 0.31 -3.97 120.64 116.01 1hma n GLU 71 Ca 0.09 -0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 1hma n GLU 71 Cb 0.67 -1.61 0.34 0.00 -0.02 0.00 0.00 31.44 30.82 1hma n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hma n ALA 72 N -2.33 1.78 -3.48 0.62 0.00 0.83 -4.12 120.51 113.81 1hma n ALA 72 Ca -0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1hma n ALA 72 Cb 0.68 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 1hma n ALA 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hma s ASN 73 N -2.59 6.47 0.00 0.00 2.47 -1.16 -5.07 114.94 115.06 1hma s ASN 73 Ca 0.13 -3.24 0.32 0.00 0.42 0.00 0.00 52.86 50.48 1hma s ASN 73 Cb 0.09 -2.07 1.82 0.00 -1.45 0.00 0.00 41.25 39.64 1hma s ASN 73 CO 0.21 -0.36 2.18 0.61 -3.72 0.00 0.00 177.10 176.03